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cp2k/data/BASIS_ADMM_UZH
Juerg Hutter bdcfe8909c
K ADMM basis (#2367) 
* Fix typo for K admm basis
2022-10-21 15:20:12 +02:00

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#
# Version 1.0
# 02.June 2021
#
# Optimized Valence Basis Set
# Polarization Functions from correlation consistent sets
#
# History:
# - 09.July 2021: Update DZ/DZP basis for S and Cl
#
#################################################################
# Hydrogen
#################################################################
H admm-dz-q1
2
1 0 0 2 1
4.37774882 0.06760163
0.69669366 0.35403101
1 0 0 1 1
0.14104767 1.00000000
H admm-dzp-q1
3
1 0 0 2 1
4.37774882 0.06760163
0.69669366 0.35403101
1 0 0 1 1
0.14104767 1.00000000
1 1 1 1 1
0.72700000 1.0000000
H admm-tzp-q1
4
1 0 0 2 1
9.28418136 0.02126543
2.18895530 0.09576311
1 0 0 1 1
0.56930459 1.00000000
1 0 0 1 1
0.13663873 1.00000000
1 1 1 1 1
0.72700000 1.0000000
H admm-tz2p-q1
6
1 0 0 2 1
9.28418136 0.02126543
2.18895530 0.09576311
1 0 0 1 1
0.56930459 1.00000000
1 0 0 1 1
0.13663873 1.00000000
1 1 1 1 1
1.40700000 1.00000000
1 1 1 1 1
0.38800000 1.00000000
1 2 2 1 1
1.05700000 1.00000000
#################################################################
# Helium
#################################################################
He admm-dz-q2
2
1 0 0 2 1
7.95348087 0.13175060
1.47679244 0.45685378
1 0 0 1 1
0.31336919 1.00000000
He admm-dzp-q2
3
1 0 0 2 1
7.95348087 0.13175060
1.47679244 0.45685378
1 0 0 1 1
0.31336919 1.00000000
1 1 1 1 1
1.27500000 1.00000000
He admm-tzp-q2
4
1 0 0 2 1
10.98267980 0.07610722
2.76724087 0.24722261
1 0 0 1 1
0.76605808 1.00000000
1 0 0 1 1
0.21422948 1.00000000
1 1 1 1 1
1.27500000 1.0000000
He admm-tz2p-q2
6
1 0 0 2 1
10.98267980 0.07610722
2.76724087 0.24722261
1 0 0 1 1
0.76605808 1.00000000
1 0 0 1 1
0.21422948 1.00000000
1 1 1 1 1
3.04400000 1.00000000
1 1 1 1 1
0.75800000 1.00000000
1 2 2 1 1
1.96500000 1.00000000
#################################################################
# Lithium
#################################################################
Li admm-dz-q3
4
1 0 0 2 1
7.05395715 0.30345763
1.91205125 0.48994982
1 0 0 1 1
0.56904394 1.00000000
1 0 0 1 1
0.07304986 1.00000000
1 1 1 2 1
1.1470900000 0.15853000
0.2134730000 0.50000000
Li admm-dzp-q3
5
1 0 0 2 1
7.05395715 0.30345763
1.91205125 0.48994982
1 0 0 1 1
0.56904394 1.00000000
1 0 0 1 1
0.07304986 1.00000000
1 1 1 2 1
1.1470900000 0.15853000
0.2134730000 0.50000000
1 1 1 1 1
0.0477473000 1.00000000
Li admm-tzp-q3
6
1 0 0 2 1
7.44206880 0.26976380
2.33775119 0.40990384
1 0 0 1 1
0.75347741 1.00000000
1 0 0 1 1
0.10461624 1.00000000
1 0 0 1 1
0.09420767 1.00000000
1 1 1 2 1
1.1470900000 0.15853000
0.2134730000 0.50000000
1 1 1 1 1
0.0477473000 1.00000000
Li admm-tz2p-q3
8
1 0 0 2 1
7.44206880 0.26976380
2.33775119 0.40990384
1 0 0 1 1
0.75347741 1.00000000
1 0 0 1 1
0.10461624 1.00000000
1 0 0 1 1
0.09420767 1.00000000
1 1 1 1 1
0.114709E+01 1.00000000
1 1 1 1 1
0.213473E+00 1.00000000
1 1 1 1 1
0.477473E-01 1.00000000
1 2 2 1 1
0.260000E+00 1.00000000
#################################################################
# Beryllium
#################################################################
Be admm-dz-q4
4
1 0 0 2 1
11.85505121 0.31459683
3.65456090 0.44877252
1 0 0 1 1
1.20196438 1.00000000
1 0 0 1 1
0.10777349 1.00000000
1 1 1 2 1
1.7945400000 0.16531000
0.3417270000 0.50000000
Be admm-dzp-q4
5
1 0 0 2 1
11.85505121 0.31459683
3.65456090 0.44877252
1 0 0 1 1
1.20196438 1.00000000
1 0 0 1 1
0.10777349 1.00000000
1 1 1 2 1
1.7945400000 0.16531000
0.3417270000 0.50000000
1 1 1 1 1
0.0758163000 1.00000000
Be admm-tzp-q4
6
1 0 0 2 1
12.15898521 0.29613374
3.97353816 0.42674385
1 0 0 1 1
1.31897233 1.00000000
1 0 0 1 1
0.25319695 1.00000000
1 0 0 1 1
0.08640478 1.00000000
1 1 1 2 1
1.7945400000 0.16531000
0.3417270000 0.50000000
1 1 1 1 1
0.0758163000 1.00000000
Be admm-tz2p-q4
8
1 0 0 2 1
12.15898521 0.29613374
3.97353816 0.42674385
1 0 0 1 1
1.31897233 1.00000000
1 0 0 1 1
0.25319695 1.00000000
1 0 0 1 1
0.08640478 1.00000000
1 1 1 1 1
1.7945400000 1.00000000
1 1 1 1 1
0.3417270000 1.00000000
1 1 1 1 1
0.0758163000 1.00000000
1 2 2 1 1
0.3900000000 1.0000000
#################################################################
# Boron
#################################################################
B admm-dz-q3
4
1 0 0 2 1
2.72444118 -0.14958117
0.38186495 0.34241433
1 0 0 1 1
0.13991512 1.00000000
1 1 1 2 1
2.60643820 -0.08294808
0.63350142 0.25487687
1 1 1 1 1
0.15347686 1.00000000
B admm-dzp-q3
5
1 0 0 2 1
2.72444118 -0.14958117
0.38186495 0.34241433
1 0 0 1 1
0.13991512 1.00000000
1 1 1 2 1
2.60643820 -0.08294808
0.63350142 0.25487687
1 1 1 1 1
0.15347686 1.00000000
1 2 2 1 1
0.34300000 1.00000000
B admm-tzp-q3
7
1 0 0 2 1
4.03581713 0.06910112
1.44969103 0.13905814
1 0 0 1 1
0.47356027 1.00000000
1 0 0 1 1
0.14249066 1.00000000
1 1 1 2 1
4.31688617 0.02738426
1.84277663 0.07410419
1 1 1 1 1
0.58456773 1.00000000
1 1 1 1 1
0.15222439 1.00000000
1 2 2 1 1
0.34300000 1.0000000
B admm-tz2p-q3
9
1 0 0 2 1
4.03581713 0.06910112
1.44969103 0.13905814
1 0 0 1 1
0.47356027 1.00000000
1 0 0 1 1
0.14249066 1.00000000
1 1 1 2 1
4.31688617 0.02738426
1.84277663 0.07410419
1 1 1 1 1
0.58456773 1.00000000
1 1 1 1 1
0.15222439 1.00000000
1 2 2 1 1
0.66100000 1.00000000
1 2 2 1 1
0.19900000 1.00000000
1 3 3 1 1
0.49000000 1.00000000
#################################################################
# Carbon
#################################################################
C admm-dz-q4
4
1 0 0 2 1
4.39823841 -0.14474584
0.46952468 0.58824606
1 0 0 1 1
0.15447823 1.00000000
1 1 1 2 1
3.21834365 -0.08831923
0.73006106 0.42818800
1 1 1 1 1
0.17006229 1.00000000
C admm-dzp-q4
5
1 0 0 2 1
4.39823841 -0.14474584
0.46952468 0.58824606
1 0 0 1 1
0.15447823 1.00000000
1 1 1 2 1
3.21834365 -0.08831923
0.73006106 0.42818800
1 1 1 1 1
0.17006229 1.00000000
1 2 2 1 1
0.55000000 1.00000000
C admm-tzp-q4
7
1 0 0 2 1
8.47750251 0.02590095
3.57700340 0.13094020
1 0 0 1 1
0.49572552 1.00000000
1 0 0 1 1
0.15917180 1.00000000
1 1 1 2 1
4.98635518 0.01495610
1.66438442 0.15601850
1 1 1 1 1
0.55571575 1.00000000
1 1 1 1 1
0.15815718 1.00000000
1 2 2 1 1
0.55000000 1.00000000
C admm-tz2p-q4
9
1 0 0 2 1
8.47750251 0.02590095
3.57700340 0.13094020
1 0 0 1 1
0.49572552 1.00000000
1 0 0 1 1
0.15917180 1.00000000
1 1 1 2 1
4.98635518 0.01495610
1.66438442 0.15601850
1 1 1 1 1
0.55571575 1.00000000
1 1 1 1 1
0.15815718 1.00000000
1 2 2 1 1
1.09700000 1.00000000
1 2 2 1 1
0.31800000 1.00000000
1 3 3 1 1
0.76100000 1.00000000
#################################################################
# Nitrogen
#################################################################
N admm-dz-q5
4
1 0 0 2 1
6.29813750 -0.14462703
0.65198552 0.62408075
1 0 0 1 1
0.20308389 1.00000000
1 1 1 2 1
4.44638242 -0.07712243
0.99845851 0.39290482
1 1 1 1 1
0.22543492 1.00000000
N admm-dzp-q5
5
1 0 0 2 1
6.29813750 -0.14462703
0.65198552 0.62408075
1 0 0 1 1
0.20308389 1.00000000
1 1 1 2 1
4.44638242 -0.07712243
0.99845851 0.39290482
1 1 1 1 1
0.22543492 1.00000000
1 2 2 1 1
0.81700000 1.00000000
N admm-tzp-q5
7
1 0 0 2 1
6.21316215 -0.14708562
0.71661585 0.49609180
1 0 0 1 1
0.31871272 1.00000000
1 0 0 1 1
0.15635556 1.00000000
1 1 1 2 1
6.43440214 -0.04891591
1.90866420 0.14915767
1 1 1 1 1
0.59679815 1.00000000
1 1 1 1 1
0.16882442 1.00000000
1 2 2 1 1
0.81700000 1.0000000
N admm-tz2p-q5
9
1 0 0 2 1
6.21316215 -0.14708562
0.71661585 0.49609180
1 0 0 1 1
0.31871272 1.00000000
1 0 0 1 1
0.15635556 1.00000000
1 1 1 2 1
6.43440214 -0.04891591
1.90866420 0.14915767
1 1 1 1 1
0.59679815 1.00000000
1 1 1 1 1
0.16882442 1.00000000
1 2 2 1 1
1.65400000 1.00000000
1 2 2 1 1
0.46900000 1.00000000
1 3 3 1 1
1.09300000 1.00000000
#################################################################
# Oxygen
#################################################################
O admm-dz-q6
4
1 0 0 2 1
8.53240384 -0.14439741
0.88433718 0.61993500
1 0 0 1 1
0.27037133 1.00000000
1 1 1 2 1
6.06505471 -0.06559190
1.38033962 0.32723350
1 1 1 1 1
0.31011098 1.00000000
O admm-dzp-q6
5
1 0 0 2 1
8.53240384 -0.14439741
0.88433718 0.61993500
1 0 0 1 1
0.27037133 1.00000000
1 1 1 2 1
6.06505471 -0.06559190
1.38033962 0.32723350
1 1 1 1 1
0.31011098 1.00000000
1 2 2 1 1
1.18500000 1.00000000
O admm-tzp-q6
7
1 0 0 2 1
8.40683144 -0.14730340
0.96723888 0.51227551
1 0 0 1 1
0.37465637 1.00000000
1 0 0 1 1
0.15952018 1.00000000
1 1 1 2 1
8.29992176 -0.04470696
2.38764779 0.14578798
1 1 1 1 1
0.72063947 1.00000000
1 1 1 1 1
0.19827461 1.00000000
1 2 2 1 1
1.18500000 1.0000000
O admm-tz2p-q6
9
1 0 0 2 1
8.40683144 -0.14730340
0.96723888 0.51227551
1 0 0 1 1
0.37465637 1.00000000
1 0 0 1 1
0.15952018 1.00000000
1 1 1 2 1
8.29992176 -0.04470696
2.38764779 0.14578798
1 1 1 1 1
0.72063947 1.00000000
1 1 1 1 1
0.19827461 1.00000000
1 2 2 1 1
2.31400000 1.00000000
1 2 2 1 1
0.64500000 1.00000000
1 3 3 1 1
1.42800000 1.00000000
#################################################################
# Fluor
#################################################################
F admm-dz-q7
4
1 0 0 2 1
10.93269938 -0.14473004
1.14813804 0.61681874
1 0 0 1 1
0.34613644 1.00000000
1 1 1 2 1
8.05417633 -0.05554033
1.83859144 0.27674337
1 1 1 1 1
0.41006242 1.00000000
F admm-dzp-q7
5
1 0 0 2 1
10.93269938 -0.14473004
1.14813804 0.61681874
1 0 0 1 1
0.34613644 1.00000000
1 1 1 2 1
8.05417633 -0.05554033
1.83859144 0.27674337
1 1 1 1 1
0.41006242 1.00000000
1 2 2 1 1
1.64000000 1.00000000
F admm-tzp-q7
7
1 0 0 2 1
10.76691660 -0.14779456
1.25341222 0.51549447
1 0 0 1 1
0.46783412 1.00000000
1 0 0 1 1
0.18546455 1.00000000
1 1 1 2 1
11.04325466 -0.03779081
3.15536694 0.12575138
1 1 1 1 1
0.94478629 1.00000000
1 1 1 1 1
0.25689591 1.00000000
1 2 2 1 1
1.64000000 1.0000000
F admm-tz2p-q7
9
1 0 0 2 1
10.76691660 -0.14779456
1.25341222 0.51549447
1 0 0 1 1
0.46783412 1.00000000
1 0 0 1 1
0.18546455 1.00000000
1 1 1 2 1
11.04325466 -0.03779081
3.15536694 0.12575138
1 1 1 1 1
0.94478629 1.00000000
1 1 1 1 1
0.25689591 1.00000000
1 2 2 1 1
3.10700000 1.00000000
1 2 2 1 1
0.85500000 1.00000000
1 3 3 1 1
1.91700000 1.00000000
#################################################################
# Neon
#################################################################
Ne admm-dz-q8
4
1 0 0 2 1
13.94653095 -0.14293257
1.44734515 0.61367903
1 0 0 1 1
0.43085570 1.00000000
1 1 1 2 1
10.26177832 -0.04863884
2.35214420 0.24075265
1 1 1 1 1
0.52189556 1.00000000
Ne admm-dzp-q8
5
1 0 0 2 1
13.94653095 -0.14293257
1.44734515 0.61367903
1 0 0 1 1
0.43085570 1.00000000
1 1 1 2 1
10.26177832 -0.04863884
2.35214420 0.24075265
1 1 1 1 1
0.52189556 1.00000000
1 2 2 1 1
2.20200000 1.00000000
Ne admm-tzp-q8
7
1 0 0 2 1
13.73167247 -0.14603999
1.58211532 0.51242549
1 0 0 1 1
0.58491772 1.00000000
1 0 0 1 1
0.22851084 1.00000000
1 1 1 2 1
13.92769244 -0.03353096
4.01079609 0.11029396
1 1 1 1 1
1.20038208 1.00000000
1 1 1 1 1
0.32478993 1.00000000
1 2 2 1 1
2.20200000 1.0000000
Ne admm-tz2p-q8
9
1 0 0 2 1
13.73167247 -0.14603999
1.58211532 0.51242549
1 0 0 1 1
0.58491772 1.00000000
1 0 0 1 1
0.22851084 1.00000000
1 1 1 2 1
13.92769244 -0.03353096
4.01079609 0.11029396
1 1 1 1 1
1.20038208 1.00000000
1 1 1 1 1
0.32478993 1.00000000
1 2 2 1 1
4.01400000 1.00000000
1 2 2 1 1
1.09600000 1.00000000
1 3 3 1 1
2.54400000 1.00000000
#################################################################
# Sodium
#################################################################
Na admm-dz-q9
4
1 0 0 2 1
16.22390212 0.15755370
1.91201532 -0.60023180
1 0 0 1 1
0.60800268 1.00000000
1 0 0 1 1
0.05119172 1.00000000
1 1 1 3 1
13.33097562 0.04330104
3.19591191 -0.19779926
0.76819608 -0.41929865
Na admm-dzp-q9
6
1 0 0 2 1
16.22390212 0.15755370
1.91201532 -0.60023180
1 0 0 1 1
0.60800268 1.00000000
1 0 0 1 1
0.05119172 1.00000000
1 1 1 2 1
13.33097562 0.04330104
3.19591191 -0.19779926
1 1 1 1 1
0.76819608 1.00000000
1 2 2 1 1
0.09280000 1.00000000
Na admm-tzp-q9
7
1 0 0 2 1
35.18852140 -0.00682369
15.42075347 -0.15425926
1 0 0 1 1
1.94625673 1.00000000
1 0 0 1 1
0.61684099 1.00000000
1 0 0 1 1
0.05117107 1.00000000
1 1 1 2 1
13.33218429 -0.00335138
3.19615105 -0.24326350
1 1 1 1 1
0.76819152 1.00000000
1 2 2 1 1
0.09280000 1.0000000
Na admm-tz2p-q9
9
1 0 0 2 1
35.18852140 -0.00682369
15.42075347 -0.15425926
1 0 0 1 1
1.94625673 1.00000000
1 0 0 1 1
0.61684099 1.00000000
1 0 0 1 1
0.05117107 1.00000000
1 1 1 2 1
13.33218429 -0.00335138
3.19615105 -0.24326350
1 1 1 1 1
0.76819152 1.00000000
1 2 2 1 1
0.14730000 1.00000000
1 2 2 1 1
0.06230000 1.00000000
1 3 3 1 1
0.12840000 1.00000000
#################################################################
# Magnesium
#################################################################
Mg admm-dz-q10
4
1 0 0 2 1
19.79199925 0.16500604
2.38473247 -0.59283679
1 0 0 1 1
0.81441976 1.00000000
1 0 0 1 1
0.07403272 1.00000000
1 1 1 3 1
16.88422370 0.03917837
4.18466099 -0.16461529
1.05926861 -0.35181770
Mg admm-dzp-q10
6
1 0 0 2 1
19.79199925 0.16500604
2.38473247 -0.59283679
1 0 0 1 1
0.81441976 1.00000000
1 0 0 1 1
0.07403272 1.00000000
1 1 1 2 1
16.88422370 0.03917837
4.18466099 -0.16461529
1 1 1 1 1
1.05926861 1.00000000
1 2 2 1 1
0.19320000 1.00000000
Mg admm-tzp-q10
7
1 0 0 2 1
36.28597673 0.01533491
18.11350336 0.15548772
1 0 0 1 1
2.45738236 1.00000000
1 0 0 1 1
0.83315188 1.00000000
1 0 0 1 1
0.07398121 1.00000000
1 1 1 2 1
16.88629205 0.00573585
4.18501655 0.19751819
1 1 1 1 1
1.05926933 1.00000000
1 2 2 1 1
0.18900000 1.0000000
Mg admm-tz2p-q10
9
1 0 0 2 1
36.28597673 0.01533491
18.11350336 0.15548772
1 0 0 1 1
2.45738236 1.00000000
1 0 0 1 1
0.83315188 1.00000000
1 0 0 1 1
0.07398121 1.00000000
1 1 1 2 1
16.88629205 0.00573585
4.18501655 0.19751819
1 1 1 1 1
1.05926933 1.00000000
1 2 2 1 1
0.29980000 1.00000000
1 2 2 1 1
0.12850000 1.00000000
1 3 3 1 1
0.24170000 1.00000000
#################################################################
# Aluminium
#################################################################
Al admm-dz-q3
4
1 0 0 2 1
0.97511684 -0.24161151
0.19332430 0.55106348
1 0 0 1 1
0.07533715 1.00000000
1 1 1 1 1
0.24317689 1.00000000
1 1 1 1 1
0.07612307 1.00000000
Al admm-dzp-q3
5
1 0 0 2 1
0.97511684 -0.24161151
0.19332430 0.55106348
1 0 0 1 1
0.07533715 1.00000000
1 1 1 1 1
0.24317689 1.00000000
1 1 1 1 1
0.07612307 1.00000000
1 2 2 1 1
0.18900000 1.00000000
Al admm-tzp-q3
7
1 0 0 2 1
8.34477535 0.00116247
0.96840036 0.24304699
1 0 0 1 1
0.19440689 1.00000000
1 0 0 1 1
0.07543009 1.00000000
1 1 1 1 1
0.35936323 1.00000000
1 1 1 1 1
0.32112547 1.00000000
1 1 1 1 1
0.07709747 1.00000000
1 2 2 1 1
0.18900000 1.0000000
Al admm-tz2p-q3
9
1 0 0 2 1
8.34477535 0.00116247
0.96840036 0.24304699
1 0 0 1 1
0.19440689 1.00000000
1 0 0 1 1
0.07543009 1.00000000
1 1 1 1 1
0.35936323 1.00000000
1 1 1 1 1
0.32112547 1.00000000
1 1 1 1 1
0.07709747 1.00000000
1 2 2 1 1
0.33300000 1.00000000
1 2 2 1 1
0.10900000 1.00000000
1 3 3 1 1
0.24400000 1.00000000
#################################################################
# Silicium
#################################################################
Si admm-dz-q4
4
1 0 0 2 1
1.28712677 -0.26741444
0.25601605 0.63662620
1 0 0 1 1
0.09707423 1.00000000
1 1 1 2 1
1.96516345 -0.12027715
0.32672585 0.80331555
1 1 1 1 1
0.09733152 1.00000000
Si admm-dzp-q4
5
1 0 0 2 1
1.28712677 -0.26741444
0.25601605 0.63662620
1 0 0 1 1
0.09707423 1.00000000
1 1 1 2 1
1.96516345 -0.12027715
0.32672585 0.80331555
1 1 1 1 1
0.09733152 1.00000000
1 2 2 1 1
0.27500000 1.00000000
Si admm-tzp-q4
7
1 0 0 2 1
4.14730220 0.00311431
1.31355538 -0.26631385
1 0 0 1 1
0.25291216 1.00000000
1 0 0 1 1
0.09650128 1.00000000
1 1 1 1 1
1.96588006 1.00000000
1 1 1 1 1
0.32671301 1.00000000
1 1 1 1 1
0.09733315 1.00000000
1 2 2 1 1
0.27500000 1.0000000
Si admm-tz2p-q4
9
1 0 0 2 1
4.14730220 0.00311431
1.31355538 -0.26631385
1 0 0 1 1
0.25291216 1.00000000
1 0 0 1 1
0.09650128 1.00000000
1 1 1 1 1
1.96588006 1.00000000
1 1 1 1 1
0.32671301 1.00000000
1 1 1 1 1
0.09733315 1.00000000
1 2 2 1 1
0.48100000 1.00000000
1 2 2 1 1
0.15900000 1.00000000
1 3 3 1 1
0.33600000 1.00000000
#################################################################
# Phosphorous
#################################################################
P admm-dz-q5
4
1 0 0 2 1
1.58511165 -0.28512617
0.32816334 0.69799404
1 0 0 1 1
0.11980297 1.00000000
1 1 1 2 1
3.11829587 -0.08418136
0.39479020 0.83751373
1 1 1 1 1
0.11129027 1.00000000
P admm-dzp-q5
5
1 0 0 2 1
1.58511165 -0.28512617
0.32816334 0.69799404
1 0 0 1 1
0.11980297 1.00000000
1 1 1 2 1
3.11829587 -0.08418136
0.39479020 0.83751373
1 1 1 1 1
0.11129027 1.00000000
1 2 2 1 1
0.37300000 1.00000000
P admm-tzp-q5
7
1 0 0 2 1
3.98367452 0.01791736
1.73127260 -0.28580544
1 0 0 1 1
0.31214482 1.00000000
1 0 0 1 1
0.11533343 1.00000000
1 1 1 2 1
2.21856800 0.01615945
0.66160012 -0.62608133
1 1 1 1 1
0.29453891 1.00000000
1 1 1 1 1
0.10036148 1.00000000
1 2 2 1 1
0.37300000 1.0000000
P admm-tz2p-q5
9
1 0 0 2 1
3.98367452 0.01791736
1.73127260 -0.28580544
1 0 0 1 1
0.31214482 1.00000000
1 0 0 1 1
0.11533343 1.00000000
1 1 1 2 1
2.21856800 0.01615945
0.66160012 -0.62608133
1 1 1 1 1
0.29453891 1.00000000
1 1 1 1 1
0.10036148 1.00000000
1 2 2 1 1
0.65200000 1.00000000
1 2 2 1 1
0.21600000 1.00000000
1 3 3 1 1
0.45200000 1.00000000
#################################################################
# Sulfur
#################################################################
S admm-dz-q6
4
1 0 0 2 1
1.89972668 -0.30695460
0.42231342 0.69924022
1 0 0 1 1
0.15219821 1.00000000
1 1 1 2 1
3.95640185 -0.02625791
0.50613585 0.54946551
1 1 1 1 1
0.14208130 1.00000000
S admm-dzp-q6
5
1 0 0 2 1
1.89972668 -0.30695460
0.42231342 0.69924022
1 0 0 1 1
0.15219821 1.00000000
1 1 1 2 1
3.95640185 -0.02625791
0.50613585 0.54946551
1 1 1 1 1
0.14208130 1.00000000
1 2 2 1 1
0.47900000 1.00000000
S admm-tzp-q6
7
1 0 0 2 1
4.97113991 0.02484216
2.14474957 -0.30531356
1 0 0 1 1
0.39130959 1.00000000
1 0 0 1 1
0.14346927 1.00000000
1 1 1 2 1
3.16343576 0.01697709
0.69738749 -0.73530322
1 1 1 1 1
0.29135631 1.00000000
1 1 1 1 1
0.10429665 1.00000000
1 2 2 1 1
0.47900000 1.0000000
S admm-tz2p-q6
9
1 0 0 2 1
4.97113991 0.02484216
2.14474957 -0.30531356
1 0 0 1 1
0.39130959 1.00000000
1 0 0 1 1
0.14346927 1.00000000
1 1 1 2 1
3.16343576 0.01697709
0.69738749 -0.73530322
1 1 1 1 1
0.29135631 1.00000000
1 1 1 1 1
0.10429665 1.00000000
1 2 2 1 1
0.81900000 1.00000000
1 2 2 1 1
0.26900000 1.00000000
1 3 3 1 1
0.55700000 1.00000000
#################################################################
# Chlor
#################################################################
Cl admm-dz-q7
4
1 0 0 2 1
2.24358199 -0.32163413
0.52430976 0.70022536
1 0 0 1 1
0.18696925 1.00000000
1 1 1 2 1
4.70087402 -0.02963624
0.63507077 0.55706511
1 1 1 1 1
0.17925270 1.00000000
Cl admm-dzp-q7
5
1 0 0 2 1
2.24358199 -0.32163413
0.52430976 0.70022536
1 0 0 1 1
0.18696925 1.00000000
1 1 1 2 1
4.70087402 -0.02963624
0.63507077 0.55706511
1 1 1 1 1
0.17925270 1.00000000
1 2 2 1 1
0.60000000 1.00000000
Cl admm-tzp-q7
7
1 0 0 2 1
5.52239650 0.03349401
2.59360819 -0.32237601
1 0 0 1 1
0.47853110 1.00000000
1 0 0 1 1
0.17443305 1.00000000
1 1 1 2 1
3.90350481 0.01904474
0.81707805 -0.73450067
1 1 1 1 1
0.32085929 1.00000000
1 1 1 1 1
0.11318071 1.00000000
1 2 2 1 1
0.60000000 1.0000000
Cl admm-tz2p-q7
9
1 0 0 2 1
5.52239650 0.03349401
2.59360819 -0.32237601
1 0 0 1 1
0.47853110 1.00000000
1 0 0 1 1
0.17443305 1.00000000
1 1 1 2 1
3.90350481 0.01904474
0.81707805 -0.73450067
1 1 1 1 1
0.32085929 1.00000000
1 1 1 1 1
0.11318071 1.00000000
1 2 2 1 1
1.04600000 1.00000000
1 2 2 1 1
0.34400000 1.00000000
1 3 3 1 1
0.70600000 1.00000000
#################################################################
# Argon
#################################################################
Ar admm-dz-q8
4
1 0 0 2 1
2.64226229 -0.32567962
0.62452604 0.70964489
1 0 0 1 1
0.22220856 1.00000000
1 1 1 2 1
0.77963619 -0.79788107
0.28112189 2.10919283
1 1 1 1 1
0.10683150 1.00000000
Ar admm-dzp-q8
5
1 0 0 2 1
2.64226229 -0.32567962
0.62452604 0.70964489
1 0 0 1 1
0.22220856 1.00000000
1 1 1 2 1
0.77963619 -0.79788107
0.28112189 2.10919283
1 1 1 1 1
0.10683150 1.00000000
1 2 2 1 1
0.73800000 1.00000000
Ar admm-tzp-q8
7
1 0 0 2 1
5.90493895 0.04393613
3.09335435 -0.33676599
1 0 0 1 1
0.57294042 1.00000000
1 0 0 1 1
0.20759313 1.00000000
1 1 1 2 1
4.63815360 0.02117545
0.98280220 -0.69518191
1 1 1 1 1
0.37957171 1.00000000
1 1 1 1 1
0.13248091 1.00000000
1 2 2 1 1
0.73800000 1.00000000
Ar admm-tz2p-q8
9
1 0 0 2 1
5.90493895 0.04393613
3.09335435 -0.33676599
1 0 0 1 1
0.57294042 1.00000000
1 0 0 1 1
0.20759313 1.00000000
1 1 1 2 1
4.63815360 0.02117545
0.98280220 -0.69518191
1 1 1 1 1
0.37957171 1.00000000
1 1 1 1 1
0.13248091 1.00000000
1 2 2 1 1
1.25400000 1.00000000
1 2 2 1 1
0.41000000 1.00000000
1 3 3 1 1
0.89000000 1.00000000
#################################################################
# Potassium
#################################################################
K admm-dz-q9
4
1 0 0 2 1
5.41727452 -0.83823555
4.87193987 1.08737764
1 0 0 1 1
0.49377687 1.00000000
1 0 0 1 1
0.04793675 1.00000000
2 1 1 3 1
5.49584088 -0.02633482
0.93646850 0.58747420
0.28789481 0.51742341
K admm-dzp-q9
5
1 0 0 2 1
5.41727452 -0.83823555
4.87193987 1.08737764
1 0 0 1 1
0.49377687 1.00000000
1 0 0 1 1
0.04793675 1.00000000
2 1 1 3 1
5.49584088 -0.02633482
0.93646850 0.58747420
0.28789481 0.51742341
2 2 2 1 1
0.06287033 1.0000000
K admm-tzp-q9
7
1 0 0 2 1
7.10554129 1.50287087
6.38272877 -4.15124702
1 0 0 1 1
5.73563378 1.00000000
1 0 0 1 1
0.49156799 1.00000000
1 0 0 1 1
0.04794443 1.00000000
2 1 1 2 1
5.49358921 -0.02634638
0.93659642 0.58737899
2 1 1 1 1
0.28795285 1.00000000
2 2 2 1 1
0.06287033 1.0000000
K admm-tz2p-q9
9
1 0 0 2 1
7.10554129 1.50287087
6.38272877 -4.15124702
1 0 0 1 1
5.73563378 1.00000000
1 0 0 1 1
0.49156799 1.00000000
1 0 0 1 1
0.04794443 1.00000000
2 1 1 2 1
5.49358921 -0.02634638
0.93659642 0.58737899
2 1 1 1 1
0.28795285 1.00000000
2 2 2 1 1
0.57805998 1.0000000
2 2 2 1 1
0.09192000 1.0000000
3 3 3 1 1
0.45136500 1.0000000
#################################################################
# Calcium
#################################################################
Ca admm-dz-q10
4
1 0 0 2 1
6.11977001 -0.89060837
5.50539796 1.15912770
1 0 0 1 1
0.60171748 1.00000000
1 0 0 1 1
0.05335149 1.00000000
2 1 1 3 1
6.85541545 -0.02912840 -0.01606082
1.15278942 0.59478751 1.26035360
0.37542325 0.50243986 -1.28399010
Ca admm-dzp-q10
5
1 0 0 2 1
6.11977001 -0.89060837
5.50539796 1.15912770
1 0 0 1 1
0.60171748 1.00000000
1 0 0 1 1
0.05335149 1.00000000
2 1 1 3 1
6.85541545 -0.02912840 -0.01606082
1.15278942 0.59478751 1.26035360
0.37542325 0.50243986 -1.28399010
2 2 2 1 1
0.10202800 1.0000000
Ca admm-tzp-q10
7
1 0 0 2 1
6.88418032 -0.09834650
4.04180367 0.43575969
1 0 0 1 1
0.82781441 1.00000000
1 0 0 1 1
0.32871136 1.00000000
1 0 0 1 1
0.05512047 1.00000000
2 1 1 2 1
6.83443709 -0.02928554
1.15447816 0.59412863
2 1 1 1 1
0.37675857 1.00000000
2 2 2 1 1
0.10202800 1.0000000
Ca admm-tz2p-q10
9
1 0 0 2 1
6.88418032 -0.09834650
4.04180367 0.43575969
1 0 0 1 1
0.82781441 1.00000000
1 0 0 1 1
0.32871136 1.00000000
1 0 0 1 1
0.05512047 1.00000000
2 1 1 2 1
6.83443709 -0.02928554
1.15447816 0.59412863
2 1 1 1 1
0.37675857 1.00000000
2 2 2 1 1
3.46940000 1.00000000
2 2 2 1 1
0.15552959 1.00000000
3 3 3 1 1
0.12801489 1.0000000
#################################################################
# Scandium
#################################################################
Sc admm-dz-q11
7
1 0 0 2 1
3.85656638 0.36732631
1.05374227 -0.71670237
1 0 0 1 1
0.43733808 1.00000000
1 0 0 1 1
0.05665854 1.00000000
2 1 1 2 1
9.02760734 -0.06755095
1.44559307 0.57676140
2 1 1 1 1
0.46947755 1.00000000
2 2 2 2 1
4.04204425 0.22680381
0.98902024 0.50555289
2 2 2 1 1
0.21010357 1.00000000
Sc admm-dzp-q11
8
1 0 0 2 1
3.85656638 0.36732631
1.05374227 -0.71670237
1 0 0 1 1
0.43733808 1.00000000
1 0 0 1 1
0.05665854 1.00000000
2 1 1 2 1
9.02760734 -0.06755095
1.44559307 0.57676140
2 1 1 1 1
0.46947755 1.00000000
2 2 2 2 1
4.04204425 0.22680381
0.98902024 0.50555289
2 2 2 1 1
0.21010357 1.00000000
3 3 3 2 1
7.126000E-01 3.617450E-01
1.636000E-01 8.218680E-01
Sc admm-tzp-q11
11
1 0 0 2 1
5.01251000 -0.32729116
4.48009967 0.67029059
1 0 0 1 1
0.99331988 1.00000000
1 0 0 1 1
0.41959734 1.00000000
1 0 0 1 1
0.05735488 1.00000000
2 1 1 2 1
8.24012655 0.07966116
1.84572243 -0.34787038
2 1 1 1 1
0.77593594 1.00000000
2 1 1 1 1
0.29742777 1.00000000
2 2 2 2 1
4.89404784 0.15815054
1.50919200 0.35341558
2 2 2 1 1
0.45770319 1.00000000
2 2 2 1 1
0.11460932 1.00000000
3 3 3 2 1
7.126000E-01 3.617450E-01
1.636000E-01 8.218680E-01
Sc admm-tz2p-q11
13
1 0 0 2 1
5.01251000 -0.32729116
4.48009967 0.67029059
1 0 0 1 1
0.99331988 1.00000000
1 0 0 1 1
0.41959734 1.00000000
1 0 0 1 1
0.05735488 1.00000000
2 1 1 2 1
8.24012655 0.07966116
1.84572243 -0.34787038
2 1 1 1 1
0.77593594 1.00000000
2 1 1 1 1
0.29742777 1.00000000
2 2 2 2 1
4.89404784 0.15815054
1.50919200 0.35341558
2 2 2 1 1
0.45770319 1.00000000
2 2 2 1 1
0.11460932 1.00000000
3 3 3 1 1
7.267000E-01 1.00000000
3 3 3 1 1
1.665000E-01 1.00000000
4 4 4 1 1
4.187000E-01 1.00000000
#################################################################
# Titanium
#################################################################
Ti admm-dz-q12
7
1 0 0 2 1
4.31004624 0.38114859
1.19486300 -0.71812361
1 0 0 1 1
0.49842647 1.00000000
1 0 0 1 1
0.06302068 1.00000000
2 1 1 2 1
7.33660254 -0.10406650
1.53089778 0.62020935
2 1 1 1 1
0.50922521 1.00000000
2 2 2 2 1
4.57010376 -0.23407254
1.17034260 -0.51518249
2 2 2 1 1
0.26540851 1.00000000
Ti admm-dzp-q12
8
1 0 0 2 1
4.31004624 0.38114859
1.19486300 -0.71812361
1 0 0 1 1
0.49842647 1.00000000
1 0 0 1 1
0.06302068 1.00000000
2 1 1 2 1
7.33660254 -0.10406650
1.53089778 0.62020935
2 1 1 1 1
0.50922521 1.00000000
2 2 2 2 1
4.57010376 -0.23407254
1.17034260 -0.51518249
2 2 2 1 1
0.26540851 1.00000000
3 3 3 2 1
1.227400E+00 3.581580E-01
2.788000E-01 8.257940E-01
Ti admm-tzp-q12
11
1 0 0 2 1
5.70699296 -0.37504232
5.10542531 0.72633148
1 0 0 1 1
1.10962939 1.00000000
1 0 0 1 1
0.47129283 1.00000000
1 0 0 1 1
0.06394449 1.00000000
2 1 1 2 1
6.68645420 0.12664700
1.96378880 -0.39099741
2 1 1 1 1
0.83728081 1.00000000
2 1 1 1 1
0.32761236 1.00000000
2 2 2 2 1
5.44293724 0.16559886
1.74553008 0.36434263
2 2 2 1 1
0.55224456 1.00000000
2 2 2 1 1
0.14569847 1.00000000
3 3 3 2 1
1.227400E+00 3.581580E-01
2.788000E-01 8.257940E-01
Ti admm-tz2p-q12
13
1 0 0 2 1
5.70699296 -0.37504232
5.10542531 0.72633148
1 0 0 1 1
1.10962939 1.00000000
1 0 0 1 1
0.47129283 1.00000000
1 0 0 1 1
0.06394449 1.00000000
2 1 1 2 1
6.68645420 0.12664700
1.96378880 -0.39099741
2 1 1 1 1
0.83728081 1.00000000
2 1 1 1 1
0.32761236 1.00000000
2 2 2 2 1
5.44293724 0.16559886
1.74553008 0.36434263
2 2 2 1 1
0.55224456 1.00000000
2 2 2 1 1
0.14569847 1.00000000
3 3 3 1 1
1.248300E+00 1.00000000
3 3 3 1 1
2.836000E-01 1.00000000
4 4 4 1 1
7.251000E-01 1.00000000
#################################################################
# Vanadium
#################################################################
V admm-dz-q13
7
1 0 0 2 1
4.92963145 0.37328789
1.32402698 -0.72923283
1 0 0 1 1
0.55403007 1.00000000
1 0 0 1 1
0.06872367 1.00000000
2 1 1 2 1
8.25832710 -0.08726244
1.75300399 0.61881092
2 1 1 1 1
0.58128903 1.00000000
2 2 2 2 1
4.87415167 -0.25902491
1.32017616 -0.51880392
2 2 2 1 1
0.31177794 1.00000000
V admm-dzp-q13
8
1 0 0 2 1
4.92963145 0.37328789
1.32402698 -0.72923283
1 0 0 1 1
0.55403007 1.00000000
1 0 0 1 1
0.06872367 1.00000000
2 1 1 2 1
8.25832710 -0.08726244
1.75300399 0.61881092
2 1 1 1 1
0.58128903 1.00000000
2 2 2 2 1
4.87415167 -0.25902491
1.32017616 -0.51880392
2 2 2 1 1
0.31177794 1.00000000
3 3 3 2 1
1.748800E+00 3.900680E-01
4.057000E-01 8.008410E-01
V admm-tzp-q13
11
1 0 0 2 1
4.91141095 0.37721583
1.33581425 -0.73096669
1 0 0 1 1
0.55804590 1.00000000
1 0 0 1 1
0.11357436 1.00000000
1 0 0 1 1
0.04557748 1.00000000
2 1 1 2 1
7.38711383 0.11095976
2.24419519 -0.39537382
2 1 1 1 1
0.95326004 1.00000000
2 1 1 1 1
0.37303681 1.00000000
2 2 2 2 1
5.69675837 0.18662414
1.93398750 0.37788919
2 2 2 1 1
0.62873782 1.00000000
2 2 2 1 1
0.17246243 1.00000000
3 3 3 2 1
1.748800E+00 3.900680E-01
4.057000E-01 8.008410E-01
V admm-tz2p-q13
13
1 0 0 2 1
4.91141095 0.37721583
1.33581425 -0.73096669
1 0 0 1 1
0.55804590 1.00000000
1 0 0 1 1
0.11357436 1.00000000
1 0 0 1 1
0.04557748 1.00000000
2 1 1 2 1
7.38711383 0.11095976
2.24419519 -0.39537382
2 1 1 1 1
0.95326004 1.00000000
2 1 1 1 1
0.37303681 1.00000000
2 2 2 2 1
5.69675837 0.18662414
1.93398750 0.37788919
2 2 2 1 1
0.62873782 1.00000000
2 2 2 1 1
0.17246243 1.00000000
3 3 3 1 1
1.774900E+00 1.00000000
3 3 3 1 1
4.125000E-01 1.00000000
4 4 4 1 1
1.136800E+00 1.00000000
#################################################################
# Chromium
#################################################################
Cr admm-dz-q14
7
1 0 0 2 1
5.35399230 0.37740797
1.44452038 -0.74966870
1 0 0 1 1
0.60480766 1.00000000
1 0 0 1 1
0.07341978 1.00000000
2 1 1 2 1
8.35829779 -0.07166487
1.87112359 0.63636006
2 1 1 1 1
0.62849832 1.00000000
2 2 2 2 1
5.91782266 -0.25240675
1.59758886 -0.52032155
2 2 2 1 1
0.38245069 1.00000000
Cr admm-dzp-q14
8
1 0 0 2 1
5.35399230 0.37740797
1.44452038 -0.74966870
1 0 0 1 1
0.60480766 1.00000000
1 0 0 1 1
0.07341978 1.00000000
2 1 1 2 1
8.35829779 -0.07166487
1.87112359 0.63636006
2 1 1 1 1
0.62849832 1.00000000
2 2 2 2 1
5.91782266 -0.25240675
1.59758886 -0.52032155
2 2 2 1 1
0.38245069 1.00000000
3 3 3 2 1
2.221100E+00 4.235450E-01
5.231000E-01 7.741140E-01
Cr admm-tzp-q14
11
1 0 0 2 1
6.69616466 -0.27356978
5.99865885 0.63385096
1 0 0 1 1
1.38777323 1.00000000
1 0 0 1 1
0.58541824 1.00000000
1 0 0 1 1
0.07537657 1.00000000
2 1 1 2 1
7.31742195 0.09658318
2.33961003 -0.42863844
2 1 1 1 1
1.00565443 1.00000000
2 1 1 1 1
0.39967143 1.00000000
2 2 2 2 1
6.92919654 0.18170154
2.33845125 0.37651803
2 2 2 1 1
0.76423270 1.00000000
2 2 2 1 1
0.21012694 1.00000000
3 3 3 2 1
2.221100E+00 4.235450E-01
5.231000E-01 7.741140E-01
Cr admm-tz2p-q14
13
1 0 0 2 1
6.69616466 -0.27356978
5.99865885 0.63385096
1 0 0 1 1
1.38777323 1.00000000
1 0 0 1 1
0.58541824 1.00000000
1 0 0 1 1
0.07537657 1.00000000
2 1 1 2 1
7.31742195 0.09658318
2.33961003 -0.42863844
2 1 1 1 1
1.00565443 1.00000000
2 1 1 1 1
0.39967143 1.00000000
2 2 2 2 1
6.92919654 0.18170154
2.33845125 0.37651803
2 2 2 1 1
0.76423270 1.00000000
2 2 2 1 1
0.21012694 1.00000000
3 3 3 1 1
2.251000E+00 1.00000000
3 3 3 1 1
5.315000E-01 1.00000000
4 4 4 1 1
1.445900E+00 1.00000000
#################################################################
# Manganese
#################################################################
Mn admm-dz-q15
7
1 0 0 2 1
6.12752082 0.37024475
1.61369890 -0.74225345
1 0 0 1 1
0.67306470 1.00000000
1 0 0 1 1
0.07868003 1.00000000
2 1 1 2 1
9.40021981 -0.05318689
2.09589367 0.63315088
2 1 1 1 1
0.70224316 1.00000000
2 2 2 2 1
6.03840413 -0.27920344
1.70881386 -0.52028795
2 2 2 1 1
0.41927366 1.00000000
Mn admm-dzp-q15
8
1 0 0 2 1
6.12752082 0.37024475
1.61369890 -0.74225345
1 0 0 1 1
0.67306470 1.00000000
1 0 0 1 1
0.07868003 1.00000000
2 1 1 2 1
9.40021981 -0.05318689
2.09589367 0.63315088
2 1 1 1 1
0.70224316 1.00000000
2 2 2 2 1
6.03840413 -0.27920344
1.70881386 -0.52028795
2 2 2 1 1
0.41927366 1.00000000
3 3 3 2 1
2.703200E+00 4.267760E-01
6.438000E-01 7.697990E-01
Mn admm-tzp-q15
11
1 0 0 2 1
6.09572021 -0.37519841
1.63497113 0.74046586
1 0 0 1 1
0.68071207 1.00000000
1 0 0 1 1
0.12852501 1.00000000
1 0 0 1 1
0.04789464 1.00000000
2 1 1 2 1
7.94720801 0.07794716
2.60744345 -0.43145629
2 1 1 1 1
1.11908539 1.00000000
2 1 1 1 1
0.44462888 1.00000000
2 2 2 2 1
6.95719902 0.20439151
2.46973529 0.38677112
2 2 2 1 1
0.82347187 1.00000000
2 2 2 1 1
0.23262499 1.00000000
3 3 3 2 1
2.703200E+00 4.267760E-01
6.438000E-01 7.697990E-01
Mn admm-tz2p-q15
13
1 0 0 2 1
6.09572021 -0.37519841
1.63497113 0.74046586
1 0 0 1 1
0.68071207 1.00000000
1 0 0 1 1
0.12852501 1.00000000
1 0 0 1 1
0.04789464 1.00000000
2 1 1 2 1
7.94720801 0.07794716
2.60744345 -0.43145629
2 1 1 1 1
1.11908539 1.00000000
2 1 1 1 1
0.44462888 1.00000000
2 2 2 2 1
6.95719902 0.20439151
2.46973529 0.38677112
2 2 2 1 1
0.82347187 1.00000000
2 2 2 1 1
0.23262499 1.00000000
3 3 3 1 1
2.738200E+00 1.00000000
3 3 3 1 1
6.543000E-01 1.00000000
4 4 4 1 1
1.733500E+00 1.00000000
#################################################################
# Iron
#################################################################
Fe admm-dz-q16
7
1 0 0 2 1
6.96478837 0.36239918
1.81067927 -0.73143586
1 0 0 1 1
0.75007021 1.00000000
1 0 0 1 1
0.08408298 1.00000000
2 1 1 2 1
2.27338348 0.62527273
0.82558299 0.41794521
2 1 1 1 1
0.29302405 1.00000000
2 2 2 2 1
6.27484120 -0.30271015
1.84383977 -0.51862637
2 2 2 1 1
0.46058049 1.00000000
Fe admm-dzp-q16
8
1 0 0 2 1
6.96478837 0.36239918
1.81067927 -0.73143586
1 0 0 1 1
0.75007021 1.00000000
1 0 0 1 1
0.08408298 1.00000000
2 1 1 2 1
2.27338348 0.62527273
0.82558299 0.41794521
2 1 1 1 1
0.29302405 1.00000000
2 2 2 2 1
6.27484120 -0.30271015
1.84383977 -0.51862637
2 2 2 1 1
0.46058049 1.00000000
3 3 3 2 1
3.224300E+00 4.222490E-01
7.758000E-01 7.714680E-01
Fe admm-tzp-q16
11
1 0 0 2 1
8.38314205 -0.18433775
7.52353058 0.53667319
1 0 0 1 1
1.76676348 1.00000000
1 0 0 1 1
0.73460344 1.00000000
1 0 0 1 1
0.08622753 1.00000000
2 1 1 2 1
9.27125319 -0.04584716
2.97145822 0.42204225
2 1 1 1 1
1.26345095 1.00000000
2 1 1 1 1
0.49880230 1.00000000
2 2 2 2 1
7.13818568 0.22488519
2.63735680 0.39381240
2 2 2 1 1
0.89174174 1.00000000
2 2 2 1 1
0.25525386 1.00000000
3 3 3 2 1
3.224300E+00 4.222490E-01
7.758000E-01 7.714680E-01
Fe admm-tz2p-q16
13
1 0 0 2 1
8.38314205 -0.18433775
7.52353058 0.53667319
1 0 0 1 1
1.76676348 1.00000000
1 0 0 1 1
0.73460344 1.00000000
1 0 0 1 1
0.08622753 1.00000000
2 1 1 2 1
9.27125319 -0.04584716
2.97145822 0.42204225
2 1 1 1 1
1.26345095 1.00000000
2 1 1 1 1
0.49880230 1.00000000
2 2 2 2 1
7.13818568 0.22488519
2.63735680 0.39381240
2 2 2 1 1
0.89174174 1.00000000
2 2 2 1 1
0.25525386 1.00000000
3 3 3 1 1
3.275800E+00 1.00000000
3 3 3 1 1
7.920000E-01 1.00000000
4 4 4 1 1
2.089700E+00 1.00000000
#################################################################
# Cobalt
#################################################################
Co admm-dz-q17
7
1 0 0 2 1
7.56234034 0.36536760
1.99557779 -0.72957716
1 0 0 1 1
0.82346944 1.00000000
1 0 0 1 1
0.08910333 1.00000000
2 1 1 2 1
2.69846628 -0.53563412
1.09078499 -0.45465530
2 1 1 1 1
0.43421560 1.00000000
2 2 2 2 1
6.42778145 -0.32060977
1.94267259 -0.51628926
2 2 2 1 1
0.49345294 1.00000000
Co admm-dzp-q17
8
1 0 0 2 1
7.56234034 0.36536760
1.99557779 -0.72957716
1 0 0 1 1
0.82346944 1.00000000
1 0 0 1 1
0.08910333 1.00000000
2 1 1 2 1
2.69846628 -0.53563412
1.09078499 -0.45465530
2 1 1 1 1
0.43421560 1.00000000
2 2 2 2 1
6.42778145 -0.32060977
1.94267259 -0.51628926
2 2 2 1 1
0.49345294 1.00000000
3 3 3 2 1
3.772400E+00 4.239660E-01
9.170000E-01 7.684290E-01
Co admm-tzp-q17
11
1 0 0 2 1
7.53209775 -0.36903349
2.01161441 0.73139471
1 0 0 1 1
0.82975670 1.00000000
1 0 0 1 1
0.14790056 1.00000000
1 0 0 1 1
0.05230896 1.00000000
2 1 1 2 1
2.11841374 0.51075000
1.90548314 -0.94180000
2 1 1 1 1
1.71336252 1.00000000
2 1 1 1 1
0.51683287 1.00000000
2 2 2 2 1
7.28134317 0.23838914
2.77704021 0.39803382
2 2 2 1 1
0.95093734 1.00000000
2 2 2 1 1
0.27719992 1.00000000
3 3 3 2 1
3.772400E+00 4.239660E-01
9.170000E-01 7.684290E-01
Co admm-tz2p-q17
13
1 0 0 2 1
7.53209775 -0.36903349
2.01161441 0.73139471
1 0 0 1 1
0.82975670 1.00000000
1 0 0 1 1
0.14790056 1.00000000
1 0 0 1 1
0.05230896 1.00000000
2 1 1 2 1
2.11841374 0.51075000
1.90548314 -0.94180000
2 1 1 1 1
1.71336252 1.00000000
2 1 1 1 1
0.51683287 1.00000000
2 2 2 2 1
7.28134317 0.23838914
2.77704021 0.39803382
2 2 2 1 1
0.95093734 1.00000000
2 2 2 1 1
0.27719992 1.00000000
3 3 3 1 1
3.813700E+00 1.00000000
3 3 3 1 1
9.309000E-01 1.00000000
4 4 4 1 1
2.470900E+00 1.00000000
#################################################################
# Nickel
#################################################################
Ni admm-dz-q18
7
1 0 0 2 1
8.43396636 0.36599359
2.19565137 -0.73031643
1 0 0 1 1
0.89854864 1.00000000
1 0 0 1 1
0.09371429 1.00000000
2 1 1 2 1
2.69400172 0.65668373
0.93369527 0.40055698
2 1 1 1 1
0.30417043 1.00000000
2 2 2 2 1
6.99485282 -0.32939329
2.15183813 -0.51438590
2 2 2 1 1
0.54987274 1.00000000
Ni admm-dzp-q18
8
1 0 0 2 1
8.43396636 0.36599359
2.19565137 -0.73031643
1 0 0 1 1
0.89854864 1.00000000
1 0 0 1 1
0.09371429 1.00000000
2 1 1 2 1
2.69400172 0.65668373
0.93369527 0.40055698
2 1 1 1 1
0.30417043 1.00000000
2 2 2 2 1
6.99485282 -0.32939329
2.15183813 -0.51438590
2 2 2 1 1
0.54987274 1.00000000
3 3 3 2 1
4.345500E+00 4.174290E-01
1.068000E+00 7.714830E-01
Ni admm-tzp-q18
11
1 0 0 2 1
8.40108101 0.36950090
2.21255479 -0.73211199
1 0 0 1 1
0.90557124 1.00000000
1 0 0 1 1
0.15740853 1.00000000
1 0 0 1 1
0.05463343 1.00000000
2 1 1 2 1
2.01730881 -0.53998890
1.82208867 0.99132350
2 1 1 1 1
1.64522916 1.00000000
2 1 1 1 1
0.42288247 1.00000000
2 2 2 2 1
7.91775683 0.24414559
3.07412746 0.40146300
2 2 2 1 1
1.05503877 1.00000000
2 2 2 1 1
0.30869685 1.00000000
3 3 3 2 1
4.345500E+00 4.174290E-01
1.068000E+00 7.714830E-01
Ni admm-tz2p-q18
13
1 0 0 2 1
8.40108101 0.36950090
2.21255479 -0.73211199
1 0 0 1 1
0.90557124 1.00000000
1 0 0 1 1
0.15740853 1.00000000
1 0 0 1 1
0.05463343 1.00000000
2 1 1 2 1
2.01730881 -0.53998890
1.82208867 0.99132350
2 1 1 1 1
1.64522916 1.00000000
2 1 1 1 1
0.42288247 1.00000000
2 2 2 2 1
7.91775683 0.24414559
3.07412746 0.40146300
2 2 2 1 1
1.05503877 1.00000000
2 2 2 1 1
0.30869685 1.00000000
3 3 3 1 1
4.504600E+00 1.00000000
3 3 3 1 1
1.128600E+00 1.00000000
4 4 4 1 1
2.977100E+00 1.00000000
#################################################################
# Copper
#################################################################
Cu admm-dz-q11
5
1 0 0 2 1
1.72374281 0.68595084
1.54570445 -0.86315239
1 0 0 1 1
0.10095365 1.00000000
2 1 1 1 1
0.07635895 1.00000000
2 2 2 2 1
5.09099744 -0.41795808
1.77519289 -0.48691972
2 2 2 1 1
0.48958397 1.00000000
Cu admm-dzp-q11
6
1 0 0 2 1
1.72374281 0.68595084
1.54570445 -0.86315239
1 0 0 1 1
0.10095365 1.00000000
2 1 1 1 1
0.07635895 1.00000000
2 2 2 2 1
5.09099744 -0.41795808
1.77519289 -0.48691972
2 2 2 1 1
0.48958397 1.00000000
3 3 3 2 1
5.028600E+00 4.242800E-01
1.259400E+00 7.630250E-01
Cu admm-tzp-q11
9
1 0 0 2 1
2.41812112 -1.68130150
2.16552628 4.32641181
1 0 0 1 1
1.93991160 -2.82014552
1 0 0 1 1
0.10169989 1.05809633
2 1 1 1 1
0.88458248 -0.00622689
2 1 1 1 1
0.07832873 -0.99860528
2 2 2 2 1
5.55468395 0.32684480
2.43539022 0.41015932
2 2 2 1 1
0.88458248 0.35906804
2 2 2 1 1
0.28009034 0.18133926
3 3 3 2 1
5.028600E+00 4.242800E-01
1.259400E+00 7.630250E-01
Cu admm-tz2p-q11
11
1 0 0 2 1
2.41812112 -1.68130150
2.16552628 4.32641181
1 0 0 1 1
1.93991160 -2.82014552
1 0 0 1 1
0.10169989 1.05809633
2 1 1 1 1
0.88458248 -0.00622689
2 1 1 1 1
0.07832873 -0.99860528
2 2 2 2 1
5.55468395 0.32684480
2.43539022 0.41015932
2 2 2 1 1
0.88458248 0.35906804
2 2 2 1 1
0.28009034 0.18133926
3 3 3 1 1
5.082100E+00 1.00000000
3 3 3 1 1
1.279700E+00 1.00000000
4 4 4 1 1
3.483500E+00 1.00000000
#################################################################
# Zinc
#################################################################
Zn admm-dz-q12
5
1 0 0 2 1
1.83844570 0.68563515
1.64930274 -0.85900200
1 0 0 1 1
0.10659753 1.00000000
2 1 1 1 1
0.07706259 1.00000000
2 2 2 2 1
5.62977429 -0.42284861
1.97107447 -0.48429459
2 2 2 1 1
0.54306224 1.00000000
Zn admm-dzp-q12
6
1 0 0 2 1
1.83844570 0.68563515
1.64930274 -0.85900200
1 0 0 1 1
0.10659753 1.00000000
2 1 1 1 1
0.07706259 1.00000000
2 2 2 2 1
5.62977429 -0.42284861
1.97107447 -0.48429459
2 2 2 1 1
0.54306224 1.00000000
3 3 3 2 1
5.734400E+00 4.311320E-01
1.461500E+00 7.546420E-01
Zn admm-tzp-q12
9
1 0 0 2 1
2.65788565 -0.39784800
2.38030368 0.99388600
1 0 0 1 1
2.13233854 1.00000000
1 0 0 1 1
0.10729622 1.00000000
2 1 1 1 1
0.19676967 1.00000000
2 1 1 1 1
0.06206201 1.00000000
2 2 2 2 1
6.14216107 0.33003163
2.71236406 0.40888274
2 2 2 1 1
0.98586420 1.00000000
2 2 2 1 1
0.31129827 1.00000000
3 3 3 2 1
5.734400E+00 4.311320E-01
1.461500E+00 7.546420E-01
Zn admm-tz2p-q12
11
1 0 0 2 1
2.65788565 -0.39784800
2.38030368 0.99388600
1 0 0 1 1
2.13233854 1.00000000
1 0 0 1 1
0.10729622 1.00000000
2 1 1 1 1
0.19676967 1.00000000
2 1 1 1 1
0.06206201 1.00000000
2 2 2 2 1
6.14216107 0.33003163
2.71236406 0.40888274
2 2 2 1 1
0.98586420 1.00000000
2 2 2 1 1
0.31129827 1.00000000
3 3 3 1 1
5.792200E+00 1.00000000
3 3 3 1 1
1.485100E+00 1.00000000
4 4 4 1 1
4.114400E+00 1.00000000
#################################################################
# Gallium
#################################################################
Ga admm-dz-q13
6
1 0 0 2 1
1.04561063 -0.30637561
0.23978281 0.61607917
1 0 0 1 1
0.08208586 1.00000000
2 1 1 2 1
1.63911349 -0.04271185
0.23809167 0.39997990
2 1 1 1 1
0.06516286 1.00000000
2 2 2 2 1
6.38787406 -0.42384611
2.30956180 -0.48615247
2 2 2 1 1
0.66638789 1.00000000
Ga admm-dzp-q13
7
1 0 0 2 1
1.04561063 -0.30637561
0.23978281 0.61607917
1 0 0 1 1
0.08208586 1.00000000
2 1 1 2 1
1.63911349 -0.04271185
0.23809167 0.39997990
2 1 1 1 1
0.06516286 1.00000000
2 2 2 2 1
6.38787406 -0.42384611
2.30956180 -0.48615247
2 2 2 1 1
0.66638789 1.00000000
3 3 3 1 1
2.881000E-01 1.0000000
Ga admm-tzp-q13
10
1 0 0 2 1
2.68025988 0.05757953
1.34647177 -0.31602966
1 0 0 1 1
0.20374391 1.00000000
1 0 0 1 1
0.07397499 1.00000000
2 1 1 2 1
2.16884882 0.04772121
1.93469509 -0.08862299
2 1 1 1 1
0.23543997 1.00000000
2 1 1 1 1
0.06518140 1.00000000
2 2 2 2 1
6.96129415 0.32837746
3.16872449 0.41015139
2 2 2 1 1
1.19700491 1.00000000
2 2 2 1 1
0.39967677 1.00000000
3 3 3 1 1
2.881000E-01 1.0000000
Ga admm-tz2p-q13
12
1 0 0 2 1
2.68025988 0.05757953
1.34647177 -0.31602966
1 0 0 1 1
0.20374391 1.00000000
1 0 0 1 1
0.07397499 1.00000000
2 1 1 2 1
2.16884882 0.04772121
1.93469509 -0.08862299
2 1 1 1 1
0.23543997 1.00000000
2 1 1 1 1
0.06518140 1.00000000
2 2 2 2 1
6.96129415 0.32837746
3.16872449 0.41015139
2 2 2 1 1
1.19700491 1.00000000
2 2 2 1 1
0.39967677 1.00000000
3 3 3 1 1
1.810000E-01 1.00000000
3 3 3 1 1
4.710000E-01 1.00000000
4 4 4 1 1
4.032000E-01 1.00000000
#################################################################
# Germanium
#################################################################
Ge admm-dz-q4
4
1 0 0 2 1
1.16640140 -0.37637234
0.33181132 0.59689416
1 0 0 1 1
0.11200256 1.00000000
2 1 1 2 1
1.72454074 -0.04925739
0.32076171 0.40705585
2 1 1 1 1
0.09644440 1.00000000
Ge admm-dzp-q4
5
1 0 0 2 1
1.16640140 -0.37637234
0.33181132 0.59689416
1 0 0 1 1
0.11200256 1.00000000
2 1 1 2 1
1.72454074 -0.04925739
0.32076171 0.40705585
2 1 1 1 1
0.09644440 1.00000000
3 3 3 1 1
3.458000E-01 1.0000000
Ge admm-tzp-q4
7
1 0 0 2 1
3.83686614 0.06138388
1.58831558 -0.35048942
1 0 0 1 1
0.25728007 1.00000000
1 0 0 1 1
0.09821069 1.00000000
2 1 1 2 1
2.26804158 0.05428771
2.02034990 -0.10164883
2 1 1 1 1
0.31825883 1.00000000
2 1 1 1 1
0.09630457 1.00000000
2 2 2 1 1
0.106587537931 1.0000000000
Ge admm-tz2p-q4
9
1 0 0 2 1
3.83686614 0.06138388
1.58831558 -0.35048942
1 0 0 1 1
0.25728007 1.00000000
1 0 0 1 1
0.09821069 1.00000000
2 1 1 2 1
2.26804158 0.05428771
2.02034990 -0.10164883
2 1 1 1 1
0.31825883 1.00000000
2 1 1 1 1
0.09630457 1.00000000
2 2 2 1 1
0.301681508848 1.00000000
2 2 2 1 1
0.871556914344E-01 1.00000000
3 3 3 1 1
3.458000E-01 1.00000000
#################################################################
# Arsenic
#################################################################
As admm-dz-q5
4
1 0 0 2 1
1.31334636 0.36610184
0.35781835 -0.67548085
1 0 0 1 1
0.12780216 1.00000000
2 1 1 2 1
2.06880403 -0.04549945
0.34446167 0.51818470
2 1 1 1 1
0.10325401 1.00000000
As admm-dzp-q5
5
1 0 0 2 1
1.31334636 0.36610184
0.35781835 -0.67548085
1 0 0 1 1
0.12780216 1.00000000
2 1 1 2 1
2.06880403 -0.04549945
0.34446167 0.51818470
2 1 1 1 1
0.10325401 1.00000000
2 2 2 1 1
0.117022964379 1.0000000000
As admm-tzp-q5
7
1 0 0 2 1
3.15195719 0.07001440
1.68250112 -0.37116447
1 0 0 1 1
0.30105698 1.00000000
1 0 0 1 1
0.11351341 1.00000000
2 1 1 2 1
1.70345292 -0.06993979
0.69981163 0.09295686
2 1 1 1 1
0.30059863 1.00000000
2 1 1 1 1
0.09967337 1.00000000
2 2 2 1 1
0.117022964379 1.0000000000
As admm-tz2p-q5
9
1 0 0 2 1
3.15195719 0.07001440
1.68250112 -0.37116447
1 0 0 1 1
0.30105698 1.00000000
1 0 0 1 1
0.11351341 1.00000000
2 1 1 2 1
1.70345292 -0.06993979
0.69981163 0.09295686
2 1 1 1 1
0.30059863 1.00000000
2 1 1 1 1
0.09967337 1.00000000
2 2 2 1 1
0.294098327561 1.00000000
2 2 2 1 1
0.859789936561E-01 1.00000000
3 3 3 1 1
4.158000E-01 1.00000000
#################################################################
# Selenium
#################################################################
Se admm-dz-q6
4
1 0 0 2 1
1.40735182 0.41401048
0.43875897 -0.69598568
1 0 0 1 1
0.15452265 1.00000000
2 1 1 2 1
2.49950504 0.14740983
0.39680005 -1.03177689
2 1 1 1 1
0.11812325 1.00000000
Se admm-dzp-q6
5
1 0 0 2 1
1.40735182 0.41401048
0.43875897 -0.69598568
1 0 0 1 1
0.15452265 1.00000000
2 1 1 2 1
2.49950504 0.14740983
0.39680005 -1.03177689
2 1 1 1 1
0.11812325 1.00000000
2 2 2 1 1
0.130207085143 1.0000000000
Se admm-tzp-q6
7
1 0 0 2 1
3.37255064 0.09446511
1.90083067 -0.41266999
1 0 0 1 1
0.34981519 1.00000000
1 0 0 1 1
0.13226905 1.00000000
2 1 1 2 1
3.50308939 0.04248219
3.13851779 -0.13849540
2 1 1 1 1
0.39233595 1.00000000
2 1 1 1 1
0.11720050 1.00000000
2 2 2 1 1
0.130207085143 1.0000000000
Se admm-tz2p-q6
9
1 0 0 2 1
3.37255064 0.09446511
1.90083067 -0.41266999
1 0 0 1 1
0.34981519 1.00000000
1 0 0 1 1
0.13226905 1.00000000
2 1 1 2 1
3.50308939 0.04248219
3.13851779 -0.13849540
2 1 1 1 1
0.39233595 1.00000000
2 1 1 1 1
0.11720050 1.00000000
2 2 2 1 1
0.324273404874 1.0000000000
2 2 2 1 1
0.948457915699E-01 1.0000000000
3 3 3 1 1
4.620000E-01 1.0000000
#################################################################
# Bromium
#################################################################
Br admm-dz-q7
4
1 0 0 2 1
1.59783831 -0.40647615
0.47807355 0.73132587
1 0 0 1 1
0.17310896 1.00000000
2 1 1 2 1
2.75529471 -0.14093058
0.46199039 0.95602981
2 1 1 1 1
0.13954967 1.00000000
Br admm-dzp-q7
5
1 0 0 2 1
1.59783831 -0.40647615
0.47807355 0.73132587
1 0 0 1 1
0.17310896 1.00000000
2 1 1 2 1
2.75529471 -0.14093058
0.46199039 0.95602981
2 1 1 1 1
0.13954967 1.00000000
2 2 2 1 1
0.145158095594 1.0000000000
Br admm-tzp-q7
7
1 0 0 2 1
3.13882544 0.13020019
2.09254397 -0.46054185
1 0 0 1 1
0.40358982 1.00000000
1 0 0 1 1
0.15312127 1.00000000
2 1 1 2 1
3.85092320 0.04929031
3.45266750 -0.14743895
2 1 1 1 1
0.45601831 1.00000000
2 1 1 1 1
0.13812964 1.00000000
2 2 2 1 1
0.145158095594 1.0000000000
Br admm-tz2p-q7
9
1 0 0 2 1
3.13882544 0.13020019
2.09254397 -0.46054185
1 0 0 1 1
0.40358982 1.00000000
1 0 0 1 1
0.15312127 1.00000000
2 1 1 2 1
3.85092320 0.04929031
3.45266750 -0.14743895
2 1 1 1 1
0.45601831 1.00000000
2 1 1 1 1
0.13812964 1.00000000
2 2 2 1 1
0.360360339654 1.0000000000
2 2 2 1 1
0.105416902516 1.0000000000
3 3 3 1 1
5.515000E-01 1.0000000
#################################################################
# Krypton
#################################################################
Kr admm-dz-q8
4
1 0 0 2 1
1.70967740 -0.44661310
0.56300038 0.74802221
1 1 1 1 1
0.20113053 1.00000000
1 1 1 2 1
3.02014169 -0.07652623
0.53365132 0.60354982
1 1 1 1 1
0.16365259 1.00000000
Kr admm-dzp-q8
5
1 0 0 2 1
1.70967740 -0.44661310
0.56300038 0.74802221
1 1 1 1 1
0.20113053 1.00000000
1 1 1 2 1
3.02014169 -0.07652623
0.53365132 0.60354982
1 1 1 1 1
0.16365259 1.00000000
2 2 2 1 1
0.162345729986 1.00000000
Kr admm-tzp-q8
7
1 0 0 2 1
3.16289042 0.25761046
2.40188483 -0.60179548
1 0 0 1 1
0.45911737 1.00000000
1 0 0 1 1
0.17492101 1.00000003
1 1 1 2 1
2.71822488 0.09327661
0.68766533 -0.36735805
1 1 1 1 1
0.29346927 1.00000000
1 1 1 1 1
0.11124341 1.00000000
2 2 2 1 1
0.162345729986 1.00000000
Kr admm-tz2p-q8
9
1 0 0 2 1
3.16289042 0.25761046
2.40188483 -0.60179548
1 0 0 1 1
0.45911737 1.00000000
1 0 0 1 1
0.17492101 1.00000003
1 1 1 2 1
2.71822488 0.09327661
0.68766533 -0.36735805
1 1 1 1 1
0.29346927 1.00000000
1 1 1 1 1
0.11124341 1.00000000
2 2 2 1 1
0.495795342324 1.00000000
2 2 2 1 1
0.141101443699 1.00000000
3 3 3 1 1
6.622000E-01 1.00000000
#################################################################
# Rubidium
#################################################################
Rb admm-dz-q9
4
1 0 0 2 1
4.13736202 1.36426057
3.71414736 -1.68844071
1 0 0 1 1
0.39173886 1.00000000
1 0 0 1 1
0.04790958 1.00000000
2 1 1 3 1
1.70811740 -0.13869129
0.68439980 0.64862052
0.21517209 0.53162650
Rb admm-dzp-q9
5
1 0 0 2 1
4.13736202 1.36426057
3.71414736 -1.68844071
1 0 0 1 1
0.39173886 1.00000000
1 0 0 1 1
0.04790958 1.00000000
2 1 1 3 1
1.70811740 -0.13869129
0.68439980 0.64862052
0.21517209 0.53162650
2 2 2 1 1
0.37762000 1.0000000
Rb admm-tzp-q9
7
1 0 0 2 1
5.45201908 -0.14671013
2.89751330 0.50562455
1 0 0 1 1
0.43817173 1.00000000
1 0 0 1 1
0.07240215 1.00000000
1 0 0 1 1
0.06518277 1.00000000
2 1 1 2 1
1.69972178 -0.14157011
0.68863114 0.64824397
2 1 1 1 1
0.21839036 1.00000000
2 2 2 1 1
0.37762000 1.0000000
Rb admm-tz2p-q9
9
1 0 0 2 1
5.45201908 -0.14671013
2.89751330 0.50562455
1 0 0 1 1
0.43817173 1.00000000
1 0 0 1 1
0.07240215 1.00000000
1 0 0 1 1
0.06518277 1.00000000
2 1 1 2 1
1.69972178 -0.14157011
0.68863114 0.64824397
2 1 1 1 1
0.21839036 1.00000000
2 2 2 1 1
0.41209482 1.00000000
2 2 2 1 1
0.06849964 1.00000000
3 3 3 1 1
0.07757084 1.00000000
#################################################################
# Strontium
#################################################################
Sr admm-dz-q10
4
1 0 0 2 1
4.41984731 1.41155992
3.97085153 -1.74942074
1 0 0 1 1
0.45033511 1.00000000
1 0 0 1 1
0.05025422 1.00000000
2 1 1 3 1
6.36929338 0.32637088
5.74121018 -0.35637924
0.49222592 1.01294169
Sr admm-dzp-q10
5
1 0 0 2 1
4.41984731 1.41155992
3.97085153 -1.74942074
1 0 0 1 1
0.45033511 1.00000000
1 0 0 1 1
0.05025422 1.00000000
2 1 1 3 1
6.36929338 0.32637088
5.74121018 -0.35637924
0.49222592 1.01294169
2 2 2 1 1
0.36891000 1.00000000
Sr admm-tzp-q10
7
1 0 0 2 1
7.14294194 0.35807133
5.26027295 -3.30790152
1 0 0 1 1
4.75847538 1.00000000
1 0 0 1 1
0.44188459 1.00000000
1 0 0 1 1
0.05032427 1.00000000
2 1 1 2 1
7.14294194 0.07468237
4.75847538 -0.10709914
2 1 1 1 1
0.49363914 1.00000000
2 2 2 1 1
0.36891000 1.00000000
Sr admm-tz2p-q10
9
1 0 0 2 1
7.14294194 0.35807133
5.26027295 -3.30790152
1 0 0 1 1
4.75847538 1.00000000
1 0 0 1 1
0.44188459 1.00000000
1 0 0 1 1
0.05032427 1.00000000
2 1 1 2 1
7.14294194 0.07468237
4.75847538 -0.10709914
2 1 1 1 1
0.49363914 1.00000000
2 2 2 1 1
0.41534997 1.00000000
2 2 2 1 1
0.08607999 1.00000000
3 3 3 1 1
1.71100000 1.00000000
#################################################################
# Yttrium
#################################################################
Y admm-dz-q11
7
1 0 0 2 1
1.59104116 -4.39688839
1.43050751 4.40524352
1 0 0 1 1
0.40216364 1.00000000
1 0 0 1 1
0.05194346 1.00000000
2 1 1 2 1
1.98762513 -0.15951211
0.88872583 0.70272684
2 1 1 1 1
0.30825945 1.00000000
2 2 2 2 1
0.85836972 -0.30883946
0.27007204 -0.50483637
2 2 2 1 1
0.07368321 1.00000000
Y admm-dzp-q11
8
1 0 0 2 1
1.59104116 -4.39688839
1.43050751 4.40524352
1 0 0 1 1
0.40216364 1.00000000
1 0 0 1 1
0.05194346 1.00000000
2 1 1 2 1
1.98762513 -0.15951211
0.88872583 0.70272684
2 1 1 1 1
0.30825945 1.00000000
2 2 2 2 1
0.85836972 -0.30883946
0.27007204 -0.50483637
2 2 2 1 1
0.07368321 1.00000000
3 3 3 1 1
0.2028000 1.0000000
Y admm-tzp-q11
11
1 0 0 2 1
8.43470481 0.05006999
2.71071838 -0.51185723
1 0 0 1 1
0.71472990 1.00000000
1 0 0 1 1
0.32163660 1.00000000
1 0 0 1 1
0.05187697 1.00000000
2 1 1 2 1
4.80674270 0.37660124
4.31447666 -0.45023380
2 1 1 1 1
0.78802327 1.00000000
2 1 1 1 1
0.28735308 1.00000000
2 2 2 2 1
1.00118923 0.20848022
0.41821922 0.35798891
2 2 2 1 1
0.15788009 1.00000000
2 2 2 1 1
0.05463791 1.00000000
3 3 3 1 1
0.2028000 1.0000000
Y admm-tz2p-q11
13
1 0 0 2 1
8.43470481 0.05006999
2.71071838 -0.51185723
1 0 0 1 1
0.71472990 1.00000000
1 0 0 1 1
0.32163660 1.00000000
1 0 0 1 1
0.05187697 1.00000000
2 1 1 2 1
4.80674270 0.37660124
4.31447666 -0.45023380
2 1 1 1 1
0.78802327 1.00000000
2 1 1 1 1
0.28735308 1.00000000
2 2 2 2 1
1.00118923 0.20848022
0.41821922 0.35798891
2 2 2 1 1
0.15788009 1.00000000
2 2 2 1 1
0.05463791 1.00000000
3 3 3 1 1
0.4893000 1.0000000
3 3 3 1 1
0.1248000 1.0000000
4 4 4 1 1
0.2769000 1.0000000
#################################################################
# Zirconium
#################################################################
Zr admm-dz-q12
7
1 0 0 2 1
1.64844078 -4.92690169
1.48403541 4.99694822
1 0 0 1 1
0.42989328 1.00000000
1 0 0 1 1
0.05877708 1.00000000
2 1 1 2 1
2.64349433 -0.15417959
0.96684060 0.69144222
2 1 1 1 1
0.34771966 1.00000000
2 2 2 2 1
1.00883549 -0.32826483
0.33681045 -0.51791521
2 2 2 1 1
0.09705060 1.00000000
Zr admm-dzp-q12
8
1 0 0 2 1
1.64844078 -4.92690169
1.48403541 4.99694822
1 0 0 1 1
0.42989328 1.00000000
1 0 0 1 1
0.05877708 1.00000000
2 1 1 2 1
2.64349433 -0.15417959
0.96684060 0.69144222
2 1 1 1 1
0.34771966 1.00000000
2 2 2 2 1
1.00883549 -0.32826483
0.33681045 -0.51791521
2 2 2 1 1
0.09705060 1.00000000
3 3 3 1 1
0.3272000 1.0000000
Zr admm-tzp-q12
11
1 0 0 2 1
7.31099253 0.10056433
3.08754483 -0.56632419
1 0 0 1 1
0.76238453 1.00000000
1 0 0 1 1
0.34340529 1.00000000
1 0 0 1 1
0.05848538 1.00000000
2 1 1 2 1
5.13084245 0.35624534
4.60503615 -0.45625409
2 1 1 1 1
0.87786814 1.00000000
2 1 1 1 1
0.32510860 1.00000000
2 2 2 2 1
1.10960454 0.25610189
0.44847187 0.41192334
2 2 2 1 1
0.16873104 1.00000000
2 2 2 1 1
0.05913369 1.00000000
3 3 3 1 1
0.3272000 1.0000000
Zr admm-tz2p-q12
13
1 0 0 2 1
7.31099253 0.10056433
3.08754483 -0.56632419
1 0 0 1 1
0.76238453 1.00000000
1 0 0 1 1
0.34340529 1.00000000
1 0 0 1 1
0.05848538 1.00000000
2 1 1 2 1
5.13084245 0.35624534
4.60503615 -0.45625409
2 1 1 1 1
0.87786814 1.00000000
2 1 1 1 1
0.32510860 1.00000000
2 2 2 2 1
1.10960454 0.25610189
0.44847187 0.41192334
2 2 2 1 1
0.16873104 1.00000000
2 2 2 1 1
0.05913369 1.00000000
3 3 3 1 1
0.7395000 1.0000000
3 3 3 1 1
0.1931000 1.0000000
4 4 4 1 1
0.4195000 1.0000000
#################################################################
# Niobium
#################################################################
Nb admm-dz-q13
7
1 0 0 2 1
1.81024428 4.26934026
1.62324038 -4.31397126
1 0 0 1 1
0.49419990 1.00000000
1 0 0 1 1
0.06485798 1.00000000
2 1 1 2 1
2.99197407 -0.12604152
1.01669894 0.70641316
2 1 1 1 1
0.37503067 1.00000000
2 2 2 2 1
1.14899722 -0.36066869
0.39240988 -0.51874667
2 2 2 1 1
0.11726940 1.00000000
Nb admm-dzp-q13
8
1 0 0 2 1
1.81024428 4.26934026
1.62324038 -4.31397126
1 0 0 1 1
0.49419990 1.00000000
1 0 0 1 1
0.06485798 1.00000000
2 1 1 2 1
2.99197407 -0.12604152
1.01669894 0.70641316
2 1 1 1 1
0.37503067 1.00000000
2 2 2 2 1
1.14899722 -0.36066869
0.39240988 -0.51874667
2 2 2 1 1
0.11726940 1.00000000
3 3 3 1 1
0.4690000 1.0000000
Nb admm-tzp-q13
11
1 0 0 2 1
3.94221759 1.02764825
3.53285280 -1.48805172
1 0 0 1 1
0.82731310 1.00000000
1 0 0 1 1
0.36809419 1.00000000
1 0 0 1 1
0.06382294 1.00000000
2 1 1 2 1
4.90477625 0.23281461
4.40192657 -0.32940084
2 1 1 1 1
0.96573188 1.00000000
2 1 1 1 1
0.36128119 1.00000000
2 2 2 2 1
1.20689507 -0.31521853
0.47339609 -0.43692566
2 2 2 1 1
0.18099265 1.00000000
2 2 2 1 1
0.06525854 1.00000000
3 3 3 1 1
0.4690000 1.0000000
Nb admm-tz2p-q13
13
1 0 0 2 1
3.94221759 1.02764825
3.53285280 -1.48805172
1 0 0 1 1
0.82731310 1.00000000
1 0 0 1 1
0.36809419 1.00000000
1 0 0 1 1
0.06382294 1.00000000
2 1 1 2 1
4.90477625 0.23281461
4.40192657 -0.32940084
2 1 1 1 1
0.96573188 1.00000000
2 1 1 1 1
0.36128119 1.00000000
2 2 2 2 1
1.20689507 -0.31521853
0.47339609 -0.43692566
2 2 2 1 1
0.18099265 1.00000000
2 2 2 1 1
0.06525854 1.00000000
3 3 3 1 1
0.9895000 1.0000000
3 3 3 1 1
0.2652000 1.0000000
4 4 4 1 1
0.5906000 1.0000000
#################################################################
# Molybdenum
#################################################################
Mo admm-dz-q14
7
1 0 0 2 1
1.95512562 4.62683244
1.75710596 -4.69596717
1 0 0 1 1
0.53380648 1.00000000
1 0 0 1 1
0.07011943 1.00000000
2 1 1 2 1
3.38133863 -0.14311046
1.15151906 0.70671365
2 1 1 1 1
0.42392288 1.00000000
2 2 2 2 1
1.22026895 -0.40805823
0.42033455 -0.51026032
2 2 2 1 1
0.13037814 1.00000000
Mo admm-dzp-q14
8
1 0 0 2 1
1.95512562 4.62683244
1.75710596 -4.69596717
1 0 0 1 1
0.53380648 1.00000000
1 0 0 1 1
0.07011943 1.00000000
2 1 1 2 1
3.38133863 -0.14311046
1.15151906 0.70671365
2 1 1 1 1
0.42392288 1.00000000
2 2 2 2 1
1.22026895 -0.40805823
0.42033455 -0.51026032
2 2 2 1 1
0.13037814 1.00000000
3 3 3 1 1
0.6007000 1.0000000
Mo admm-tzp-q14
11
1 0 0 2 1
4.47397227 1.18298785
4.01239398 -1.64878816
1 0 0 1 1
0.89809313 1.00000000
1 0 0 1 1
0.39345927 1.00000000
1 0 0 1 1
0.06873761 1.00000000
2 1 1 2 1
5.53581339 0.26431710
4.97045391 -0.37396539
2 1 1 1 1
1.08563279 1.00000000
2 1 1 1 1
0.40614490 1.00000000
2 2 2 2 1
1.25023351 -0.38146860
0.47294822 -0.45141396
2 2 2 1 1
0.18226571 1.00000000
2 2 2 1 1
0.06820628 1.00000000
3 3 3 1 1
0.6007000 1.0000000
Mo admm-tz2p-q14
13
1 0 0 2 1
4.47397227 1.18298785
4.01239398 -1.64878816
1 0 0 1 1
0.89809313 1.00000000
1 0 0 1 1
0.39345927 1.00000000
1 0 0 1 1
0.06873761 1.00000000
2 1 1 2 1
5.53581339 0.26431710
4.97045391 -0.37396539
2 1 1 1 1
1.08563279 1.00000000
2 1 1 1 1
0.40614490 1.00000000
2 2 2 2 1
1.25023351 -0.38146860
0.47294822 -0.45141396
2 2 2 1 1
0.18226571 1.00000000
2 2 2 1 1
0.06820628 1.00000000
3 3 3 1 1
1.2203000 1.0000000
3 3 3 1 1
0.3332000 1.0000000
4 4 4 1 1
0.7324000 1.0000000
#################################################################
# Technetium
#################################################################
Tc admm-dz-q15
7
1 0 0 2 1
2.12739909 4.50331106
1.90948622 -4.55901633
1 0 0 1 1
0.58716617 1.00000000
1 0 0 1 1
0.07484522 1.00000000
2 1 1 2 1
3.61982680 -0.12896111
1.23448449 0.71463805
2 1 1 1 1
0.45870264 1.00000000
2 2 2 2 1
1.30673578 -0.44278119
0.45407515 -0.50064427
2 2 2 1 1
0.14444822 1.00000000
Tc admm-dzp-q15
8
1 0 0 2 1
2.12739909 4.50331106
1.90948622 -4.55901633
1 0 0 1 1
0.58716617 1.00000000
1 0 0 1 1
0.07484522 1.00000000
2 1 1 2 1
3.61982680 -0.12896111
1.23448449 0.71463805
2 1 1 1 1
0.45870264 1.00000000
2 2 2 2 1
1.30673578 -0.44278119
0.45407515 -0.50064427
2 2 2 1 1
0.14444822 1.00000000
3 3 3 1 1
0.7228000 1.0000000
Tc admm-tzp-q15
11
1 0 0 2 1
4.74632743 1.10710757
4.25764792 -1.57337074
1 0 0 1 1
0.95431112 1.00000000
1 0 0 1 1
0.40734161 1.00000000
1 0 0 1 1
0.07277974 1.00000000
2 1 1 2 1
2.50720715 -1.42424789
2.24465366 1.60473332
2 1 1 1 1
0.81711812 1.00000000
2 1 1 1 1
0.33281792 1.00000000
2 2 2 2 1
1.32785107 -0.42347476
0.49601170 -0.45533525
2 2 2 1 1
0.07279567 1.00000000
2 2 2 1 1
0.19120113 1.00000000
3 3 3 1 1
0.7228000 1.0000000
Tc admm-tz2p-q15
13
1 0 0 2 1
4.74632743 1.10710757
4.25764792 -1.57337074
1 0 0 1 1
0.95431112 1.00000000
1 0 0 1 1
0.40734161 1.00000000
1 0 0 1 1
0.07277974 1.00000000
2 1 1 2 1
2.50720715 -1.42424789
2.24465366 1.60473332
2 1 1 1 1
0.81711812 1.00000000
2 1 1 1 1
0.33281792 1.00000000
2 2 2 2 1
1.32785107 -0.42347476
0.49601170 -0.45533525
2 2 2 1 1
0.07279567 1.00000000
2 2 2 1 1
0.19120113 1.00000000
3 3 3 1 1
1.4494000 1.0000000
3 3 3 1 1
0.4015000 1.0000000
4 4 4 1 1
0.8717000 1.0000000
#################################################################
# Ruthenium
#################################################################
Ru admm-dz-q16
7
1 0 0 2 1
2.24185980 4.63851395
2.01089878 -4.72011433
1 0 0 1 1
0.60815111 1.00000000
1 0 0 1 1
0.06630983 1.00000000
2 1 1 2 1
3.80503809 -0.13368082
1.33514686 0.72202524
2 1 1 1 1
0.48844830 1.00000000
2 2 2 2 1
1.36121143 -0.46300455
0.45826290 -0.49328257
2 2 2 1 1
0.14006794 1.00000000
Ru admm-dzp-q16
8
1 0 0 2 1
2.24185980 4.63851395
2.01089878 -4.72011433
1 0 0 1 1
0.60815111 1.00000000
1 0 0 1 1
0.06630983 1.00000000
2 1 1 2 1
3.80503809 -0.13368082
1.33514686 0.72202524
2 1 1 1 1
0.48844830 1.00000000
2 2 2 2 1
1.36121143 -0.46300455
0.45826290 -0.49328257
2 2 2 1 1
0.14006794 1.00000000
3 3 3 1 1
0.8500000 1.0000000
Ru admm-tzp-q16
11
1 0 0 2 1
4.88756873 -1.09349439
4.38009752 1.58333606
1 0 0 1 1
1.05749067 1.00000000
1 0 0 1 1
0.45474693 1.00000000
1 0 0 1 1
0.06494489 1.00000000
2 1 1 2 1
2.63993274 -1.50193272
2.36497123 1.70496749
2 1 1 1 1
0.86078914 1.00000000
2 1 1 1 1
0.34884663 1.00000000
2 2 2 2 1
1.38045162 -0.44587480
0.49911475 -0.44935203
2 2 2 1 1
0.18734992 1.00000000
2 2 2 1 1
0.06910718 1.00000000
3 3 3 1 1
0.8500000 1.0000000
Ru admm-tz2p-q16
13
1 0 0 2 1
4.88756873 -1.09349439
4.38009752 1.58333606
1 0 0 1 1
1.05749067 1.00000000
1 0 0 1 1
0.45474693 1.00000000
1 0 0 1 1
0.06494489 1.00000000
2 1 1 2 1
2.63993274 -1.50193272
2.36497123 1.70496749
2 1 1 1 1
0.86078914 1.00000000
2 1 1 1 1
0.34884663 1.00000000
2 2 2 2 1
1.38045162 -0.44587480
0.49911475 -0.44935203
2 2 2 1 1
0.18734992 1.00000000
2 2 2 1 1
0.06910718 1.00000000
3 3 3 1 1
1.6965000 1.0000000
3 3 3 1 1
0.4754000 1.0000000
4 4 4 1 1
1.0311000 1.0000000
#################################################################
# Rhodium
#################################################################
Rh admm-dz-q17
7
1 0 0 2 1
2.35967774 4.70298620
2.11799693 -4.78686972
1 0 0 1 1
0.66763892 1.00000000
1 0 0 1 1
0.08295544 1.00000000
2 1 1 2 1
3.90769624 -0.13350785
1.38489488 0.73837568
2 1 1 1 1
0.52471972 1.00000000
2 2 2 2 1
1.47084843 -0.49492465
0.51779786 -0.48177947
2 2 2 1 1
0.17071520 1.00000000
Rh admm-dzp-q17
8
1 0 0 2 1
2.35967774 4.70298620
2.11799693 -4.78686972
1 0 0 1 1
0.66763892 1.00000000
1 0 0 1 1
0.08295544 1.00000000
2 1 1 2 1
3.90769624 -0.13350785
1.38489488 0.73837568
2 1 1 1 1
0.52471972 1.00000000
2 2 2 2 1
1.47084843 -0.49492465
0.51779786 -0.48177947
2 2 2 1 1
0.17071520 1.00000000
3 3 3 1 1
0.9936000 1.0000000
Rh admm-tzp-q17
11
1 0 0 2 1
5.27379745 1.14041961
4.73422360 -1.61802316
1 0 0 1 1
1.06891542 1.00000000
1 0 0 1 1
0.43219325 1.00000000
1 0 0 1 1
0.07957116 1.00000000
2 1 1 2 1
2.73758690 -1.42816693
2.44764415 1.62295640
2 1 1 1 1
0.92691903 1.00000000
2 1 1 1 1
0.38288140 1.00000000
2 2 2 2 1
1.48265447 -0.48395098
0.54559250 -0.45433576
2 2 2 1 1
0.20841387 1.00000000
2 2 2 1 1
0.07995974 1.00000000
3 3 3 1 1
0.9936000 1.0000000
Rh admm-tz2p-q17
13
1 0 0 2 1
5.27379745 1.14041961
4.73422360 -1.61802316
1 0 0 1 1
1.06891542 1.00000000
1 0 0 1 1
0.43219325 1.00000000
1 0 0 1 1
0.07957116 1.00000000
2 1 1 2 1
2.73758690 -1.42816693
2.44764415 1.62295640
2 1 1 1 1
0.92691903 1.00000000
2 1 1 1 1
0.38288140 1.00000000
2 2 2 2 1
1.48265447 -0.48395098
0.54559250 -0.45433576
2 2 2 1 1
0.20841387 1.00000000
2 2 2 1 1
0.07995974 1.00000000
3 3 3 1 1
1.9606000 1.0000000
3 3 3 1 1
0.5553000 1.0000000
4 4 4 1 1
1.1907000 1.0000000
#################################################################
# Palladium
#################################################################
Pd admm-dz-q18
7
1 0 0 2 1
2.77708060 2.13962210
2.19839295 -2.20699567
1 0 0 1 1
0.73116195 1.00000000
1 0 0 1 1
0.08698863 1.00000000
2 1 1 2 1
4.48135628 -0.11017939
1.52725049 0.72779495
2 1 1 1 1
0.57471113 1.00000000
2 2 2 2 1
1.57264305 -0.52344040
0.55186927 -0.46860789
2 2 2 1 1
0.18383211 1.00000000
Pd admm-dzp-q18
8
1 0 0 2 1
2.77708060 2.13962210
2.19839295 -2.20699567
1 0 0 1 1
0.73116195 1.00000000
1 0 0 1 1
0.08698863 1.00000000
2 1 1 2 1
4.48135628 -0.11017939
1.52725049 0.72779495
2 1 1 1 1
0.57471113 1.00000000
2 2 2 2 1
1.57264305 -0.52344040
0.55186927 -0.46860789
2 2 2 1 1
0.18383211 1.00000000
3 3 3 1 1
1.1484000 1.0000000
Pd admm-tzp-q18
11
1 0 0 2 1
5.76451878 1.06874374
5.17504691 -1.54211408
1 0 0 1 1
1.15238613 1.00000000
1 0 0 1 1
0.45963285 1.00000000
1 0 0 1 1
0.08324449 1.00000000
2 1 1 2 1
3.49222942 -0.31054101
2.26581990 0.56934384
2 1 1 1 1
0.97913119 1.00000000
2 1 1 1 1
0.40826601 1.00000000
2 2 2 2 1
1.58133659 -0.51545564
0.57423756 -0.44777444
2 2 2 1 1
0.21690975 1.00000000
2 2 2 1 1
0.08224706 1.00000000
3 3 3 1 1
1.1484000 1.0000000
Pd admm-tz2p-q18
13
1 0 0 2 1
5.76451878 1.06874374
5.17504691 -1.54211408
1 0 0 1 1
1.15238613 1.00000000
1 0 0 1 1
0.45963285 1.00000000
1 0 0 1 1
0.08324449 1.00000000
2 1 1 2 1
3.49222942 -0.31054101
2.26581990 0.56934384
2 1 1 1 1
0.97913119 1.00000000
2 1 1 1 1
0.40826601 1.00000000
2 2 2 2 1
1.58133659 -0.51545564
0.57423756 -0.44777444
2 2 2 1 1
0.21690975 1.00000000
2 2 2 1 1
0.08224706 1.00000000
3 3 3 1 1
2.2329000 1.0000000
3 3 3 1 1
0.6384000 1.0000000
4 4 4 1 1
1.3721000 1.0000000
#################################################################
# Silver
#################################################################
Ag admm-dz-q11
5
1 0 0 2 1
1.35318958 0.99099490
1.21302424 -1.22036969
1 0 0 1 1
0.08899045 1.00000000
2 1 1 1 1
0.06860234 1.00000000
2 2 2 2 1
2.25576596 -0.36890317
0.88587524 -0.52855305
2 2 2 1 1
0.28679809 1.00000000
Ag admm-dzp-q11
6
1 0 0 2 1
1.35318958 0.99099490
1.21302424 -1.22036969
1 0 0 1 1
0.08899045 1.00000000
2 1 1 1 1
0.06860234 1.00000000
2 2 2 2 1
2.25576596 -0.36890317
0.88587524 -0.52855305
2 2 2 1 1
0.28679809 1.00000000
3 3 3 1 1
1.3299000 1.0000000
Ag admm-tzp-q11
9
1 0 0 2 1
1.74252406 -1.45555190
1.56008470 4.13790997
1 0 0 1 1
1.39728313 1.00000000
1 0 0 1 1
0.08881328 1.00000000
2 1 1 1 1
0.15037425 1.00000000
2 1 1 1 1
0.06235359 1.00000000
2 2 2 2 1
2.52211724 0.25629808
1.21423011 0.44232572
2 2 2 1 1
0.50388413 1.00000000
2 2 2 1 1
0.18436640 1.00000000
3 3 3 1 1
1.3299000 1.0000000
Ag admm-tz2p-q11
11
1 0 0 2 1
1.74252406 -1.45555190
1.56008470 4.13790997
1 0 0 1 1
1.39728313 1.00000000
1 0 0 1 1
0.08881328 1.00000000
2 1 1 1 1
0.15037425 1.00000000
2 1 1 1 1
0.06235359 1.00000000
2 2 2 2 1
2.52211724 0.25629808
1.21423011 0.44232572
2 2 2 1 1
0.50388413 1.00000000
2 2 2 1 1
0.18436640 1.00000000
3 3 3 1 1
2.5431000 1.0000000
3 3 3 1 1
0.7381000 1.0000000
4 4 4 1 1
1.5751000 1.0000000
#################################################################
# Cadmium
#################################################################
Cd admm-dz-q12
5
1 0 0 2 1
1.40630318 0.98247348
1.26141899 -1.20569823
1 0 0 1 1
0.09352605 1.00000000
2 1 1 1 1
0.06963477 1.00000000
2 2 2 2 1
2.38995213 -0.39110159
0.93874043 -0.51728157
2 2 2 1 1
0.30620854 1.00000000
Cd admm-dzp-q12
6
1 0 0 2 1
1.40630318 0.98247348
1.26141899 -1.20569823
1 0 0 1 1
0.09352605 1.00000000
2 1 1 1 1
0.06963477 1.00000000
2 2 2 2 1
2.38995213 -0.39110159
0.93874043 -0.51728157
2 2 2 1 1
0.30620854 1.00000000
3 3 3 1 1
1.5393000 1.0000000
Cd admm-tzp-q12
9
1 0 0 2 1
1.90378660 -1.96668886
1.70506289 5.21087416
1 0 0 1 1
1.52757212 1.00000000
1 0 0 1 1
0.09314014 1.00000000
2 1 1 1 1
0.14923897 1.00000000
2 1 1 1 1
0.06219666 1.00000000
2 2 2 2 1
2.61254439 0.29199790
1.25472729 0.43313900
2 2 2 1 1
0.52563879 1.00000000
2 2 2 1 1
0.19433172 1.00000000
3 3 3 1 1
1.5393000 1.0000000
Cd admm-tz2p-q12
11
1 0 0 2 1
1.90378660 -1.96668886
1.70506289 5.21087416
1 0 0 1 1
1.52757212 1.00000000
1 0 0 1 1
0.09314014 1.00000000
2 1 1 1 1
0.14923897 1.00000000
2 1 1 1 1
0.06219666 1.00000000
2 2 2 2 1
2.61254439 0.29199790
1.25472729 0.43313900
2 2 2 1 1
0.52563879 1.00000000
2 2 2 1 1
0.19433172 1.00000000
3 3 3 1 1
2.9086000 1.0000000
3 3 3 1 1
0.8508000 1.0000000
4 4 4 1 1
1.8019000 1.0000000
#################################################################
# Indium
#################################################################
In admm-dz-q13
6
1 0 0 2 1
0.63788626 -0.53310860
0.26375566 0.65818231
1 0 0 1 1
0.07985130 1.00000000
2 1 1 2 1
0.76595533 -0.09452366
0.22135735 0.35367298
2 1 1 1 1
0.06437102 1.00000000
2 2 2 2 1
2.67835406 -0.37921333
1.08606569 -0.52278649
2 2 2 1 1
0.36704264 1.00000000
In admm-dzp-q13
7
1 0 0 2 1
0.63788626 -0.53310860
0.26375566 0.65818231
1 0 0 1 1
0.07985130 1.00000000
2 1 1 2 1
0.76595533 -0.09452366
0.22135735 0.35367298
2 1 1 1 1
0.06437102 1.00000000
2 2 2 2 1
2.67835406 -0.37921333
1.08606569 -0.52278649
2 2 2 1 1
0.36704264 1.00000000
3 3 3 1 1
0.2549000 1.0000000
In admm-tzp-q13
10
1 0 0 2 1
1.85396060 0.12652693
1.00333364 -0.45322946
1 0 0 1 1
0.17321872 1.00000000
1 0 0 1 1
0.06688247 1.00000000
2 1 1 2 1
2.23436782 0.00813032
0.88365474 -0.09030986
2 1 1 1 1
0.21359430 1.00000000
2 1 1 1 1
0.06423861 1.00000000
2 2 2 2 1
2.94491412 0.27421058
1.45024135 0.44069351
2 2 2 1 1
0.62091679 1.00000000
2 2 2 1 1
0.23815229 1.00000000
3 3 3 1 1
0.2549000 1.0000000
In admm-tz2p-q13
12
1 0 0 2 1
1.85396060 0.12652693
1.00333364 -0.45322946
1 0 0 1 1
0.17321872 1.00000000
1 0 0 1 1
0.06688247 1.00000000
2 1 1 2 1
2.23436782 0.00813032
0.88365474 -0.09030986
2 1 1 1 1
0.21359430 1.00000000
2 1 1 1 1
0.06423861 1.00000000
2 2 2 2 1
2.94491412 0.27421058
1.45024135 0.44069351
2 2 2 1 1
0.62091679 1.00000000
2 2 2 1 1
0.23815229 1.00000000
3 3 3 1 1
0.3921000 1.00000000
3 3 3 1 1
0.1560000 1.00000000
4 4 4 1 1
0.3419000 1.00000000
#################################################################
# Tin
#################################################################
Sn admm-dz-q4
4
1 0 0 2 1
1.66768183 1.17436119
1.49824486 -1.45566598
1 0 0 1 1
0.13806009 1.00000000
2 1 1 2 1
0.97452326 -0.11755073
0.30526417 0.30975938
2 1 1 1 1
0.09522398 1.00000000
Sn admm-dzp-q4
5
1 0 0 2 1
1.66768183 1.17436119
1.49824486 -1.45566598
1 0 0 1 1
0.13806009 1.00000000
2 1 1 2 1
0.97452326 -0.11755073
0.30526417 0.30975938
2 1 1 1 1
0.09522398 1.00000000
2 2 2 1 1
0.839143864954E-01 1.00000000
Sn admm-tzp-q4
7
1 0 0 1 1
1.66747107 1.00000000
1 0 0 1 1
1.49804585 1.00000000
1 0 0 1 1
0.13807972 1.00000000
2 1 1 2 1
1.10251461 0.08217834
0.41818821 0.71643772
2 1 1 1 1
0.37448415 1.00000000
2 1 1 1 1
0.09544946 1.00000000
2 2 2 1 1
0.839143864954E-01 1.00000000
Sn admm-tz2p-q4
9
1 0 0 1 1
1.66747107 1.00000000
1 0 0 1 1
1.49804585 1.00000000
1 0 0 1 1
0.13807972 1.00000000
2 1 1 2 1
1.10251461 0.08217834
0.41818821 0.71643772
2 1 1 1 1
0.37448415 1.00000000
2 1 1 1 1
0.09544946 1.00000000
2 2 2 1 1
0.829423266912E-01 1.00000000
2 2 2 1 1
0.433257985491E-01 1.00000000
3 3 3 1 1
0.2822000 1.00000000
#################################################################
# Antimony
#################################################################
Sb admm-dz-q5
4
1 0 0 2 1
1.78055833 1.16729432
1.59990476 -1.46462014
1 0 0 1 1
0.16319770 1.00000000
2 1 1 2 1
1.10838221 -0.11267757
0.29359136 0.43940365
2 1 1 1 1
0.09820740 1.00000000
Sb admm-dzp-q5
5
1 0 0 2 1
1.78055833 1.16729432
1.59990476 -1.46462014
1 0 0 1 1
0.16319770 1.00000000
2 1 1 2 1
1.10838221 -0.11267757
0.29359136 0.43940365
2 1 1 1 1
0.09820740 1.00000000
2 2 2 1 1
0.870989455000E-01 1.00000000
Sb admm-tzp-q5
7
1 0 0 1 1
1.78073993 1.00000000
1 0 0 1 1
1.60007657 1.00000000
1 0 0 1 1
0.16317229 1.00000000
2 1 1 2 1
3.16943538 0.00500591
1.19692224 -0.11020413
2 1 1 1 1
0.28782570 1.00000000
2 1 1 1 1
0.09790516 1.00000000
2 2 2 1 1
0.870989455000E-01 1.00000000
Sb admm-tz2p-q5
9
1 0 0 1 1
1.78073993 1.00000000
1 0 0 1 1
1.60007657 1.00000000
1 0 0 1 1
0.16317229 1.00000000
2 1 1 2 1
3.16943538 0.00500591
1.19692224 -0.11020413
2 1 1 1 1
0.28782570 1.00000000
2 1 1 1 1
0.09790516 1.00000000
2 2 2 1 1
0.868271746561E-01 1.00000000
2 2 2 1 1
0.369435572833E-01 1.00000000
3 3 3 1 1
0.3244000 1.00000000
#################################################################
# Tellurium
#################################################################
Te admm-dz-q6
4
1 0 0 2 1
1.89812645 1.08948110
1.70551291 -1.40337763
1 0 0 1 1
0.18844720 1.00000000
2 1 1 2 1
1.26951492 -0.11649204
0.30435561 0.54231978
2 1 1 1 1
0.10248118 1.00000000
Te admm-dzp-q6
5
1 0 0 2 1
1.89812645 1.08948110
1.70551291 -1.40337763
1 0 0 1 1
0.18844720 1.00000000
2 1 1 2 1
1.26951492 -0.11649204
0.30435561 0.54231978
2 1 1 1 1
0.10248118 1.00000000
2 2 2 1 1
0.899079371126E-01 1.00000000
Te admm-tzp-q6
7
1 0 0 1 1
1.89860528 1.00000000
1 0 0 1 1
1.70596450 1.00000000
1 0 0 1 1
0.18839293 1.00000000
2 1 1 2 1
1.89943981 0.20427411
1.69546053 -0.30812743
2 1 1 1 1
0.29453925 1.00000000
2 1 1 1 1
0.10142370 1.00000000
2 2 2 1 1
0.899079371126E-01 1.00000000
Te admm-tz2p-q6
9
1 0 0 1 1
1.89860528 1.00000000
1 0 0 1 1
1.70596450 1.00000000
1 0 0 1 1
0.18839293 1.00000000
2 1 1 2 1
1.89943981 0.20427411
1.69546053 -0.30812743
2 1 1 1 1
0.29453925 1.00000000
2 1 1 1 1
0.10142370 1.00000000
2 2 2 1 1
0.898368966237E-01 1.00000000
2 2 2 1 1
0.318769978738E-01 1.00000000
3 3 3 1 1
0.3494000 1.00000000
#################################################################
# Iodine
#################################################################
I admm-dz-q7
4
1 0 0 2 1
2.06322079 1.23971024
1.85462399 -1.56709133
1 0 0 1 1
0.21489902 1.15274608
2 1 1 2 1
1.42406090 -0.12046384
0.32819757 0.60858675
2 1 1 1 1
0.10971712 0.52265783
I admm-dzp-q7
5
1 0 0 2 1
2.06322079 1.23971024
1.85462399 -1.56709133
1 0 0 1 1
0.21489902 1.15274608
2 1 1 2 1
1.42406090 -0.12046384
0.32819757 0.60858675
2 1 1 1 1
0.10971712 0.52265783
2 2 2 1 1
0.934650271385E-01 1.00000000
I admm-tzp-q7
7
1 0 0 1 1
2.06371683 1.00000000
1 0 0 1 1
1.85509468 1.00000000
1 0 0 1 1
0.21485024 1.00000000
2 1 1 2 1
2.13093081 0.22556722
1.90850174 -0.33331961
2 1 1 1 1
0.31764066 1.00000000
2 1 1 1 1
0.10781432 1.00000000
2 2 2 1 1
0.934650271385E-01 1.00000000
I admm-tz2p-q7
9
1 0 0 1 1
2.06371683 1.00000000
1 0 0 1 1
1.85509468 1.00000000
1 0 0 1 1
0.21485024 1.00000000
2 1 1 2 1
2.13093081 0.22556722
1.90850174 -0.33331961
2 1 1 1 1
0.31764066 1.00000000
2 1 1 1 1
0.10781432 1.00000000
2 2 2 1 1
0.292664814123 1.00000000
2 2 2 1 1
0.827124414709E-01 1.00000000
3 3 3 1 1
4.064000E-01 1.00000000
#################################################################
# Xenon
#################################################################
Xe admm-dz-q8
4
1 0 0 2 1
0.76041241 -4.50373028
0.68115153 4.59359082
1 1 1 1 1
0.17546458 1.00000000
1 1 1 2 1
1.53451210 -0.12634644
0.36408481 0.64119614
1 1 1 1 1
0.12172728 1.00000000
Xe admm-dzp-q8
5
1 0 0 2 1
0.76041241 -4.50373028
0.68115153 4.59359082
1 1 1 1 1
0.17546458 1.00000000
1 1 1 2 1
1.53451210 -0.12634644
0.36408481 0.64119614
1 1 1 1 1
0.12172728 1.00000000
2 2 2 1 1
0.134845957366 1.00000000
Xe admm-tzp-q8
7
1 0 0 2 1
1.90989324 1.20883362
1.70351534 -1.62908711
1 0 0 1 1
0.33202550 1.00000000
1 0 0 1 1
0.13347532 1.00000000
1 1 1 2 1
1.24029816 -0.25682902
0.76171442 0.26311063
1 1 1 1 1
0.29056318 1.00000000
1 1 1 1 1
0.10756821 1.00000000
2 2 2 1 1
0.134845957366 1.00000000
Xe admm-tz2p-q8
9
1 0 0 2 1
1.90989324 1.20883362
1.70351534 -1.62908711
1 0 0 1 1
0.33202550 1.00000000
1 0 0 1 1
0.13347532 1.00000000
1 1 1 2 1
1.24029816 -0.25682902
0.76171442 0.26311063
1 1 1 1 1
0.29056318 1.00000000
1 1 1 1 1
0.10756821 1.00000000
2 2 2 1 1
0.127777701612 1.00000000
2 2 2 1 1
0.909681963293E-01 1.00000000
3 3 3 1 1
0.4779000 1.0000000
#################################################################
# Caesium
#################################################################
Cs admm-dz-q9
4
1 0 0 2 1
2.29980995 1.57903280
2.06943049 -1.97561742
1 0 0 1 1
0.29052633 1.00000000
1 0 0 1 1
0.04784316 1.00000000
2 1 1 3 1
1.17443641 -0.21695140
0.46896330 0.69474304
0.15674376 0.52197282
Cs admm-dzp-q9
5
1 0 0 2 1
2.29980995 1.57903280
2.06943049 -1.97561742
1 0 0 1 1
0.29052633 1.00000000
1 0 0 1 1
0.04784316 1.00000000
2 1 1 3 1
1.17443641 -0.21695140
0.46896330 0.69474304
0.15674376 0.52197282
2 2 2 1 1
0.105292485963 1.00000000
Cs admm-tzp-q9
7
1 0 0 2 1
2.14772448 -1.69608499
1.92891071 2.15435124
1 0 0 1 1
0.33981380 1.00000000
1 0 0 1 1
0.07211792 1.00000000
1 0 0 1 1
0.06498850 1.00000000
2 1 1 2 1
1.17524879 -0.21716068
0.46777763 0.69889360
2 1 1 1 1
0.15778269 1.00000000
2 2 2 1 1
0.105292485963 1.00000000
Cs admm-tz2p-q9
9
1 0 0 2 1
2.14772448 -1.69608499
1.92891071 2.15435124
1 0 0 1 1
0.33981380 1.00000000
1 0 0 1 1
0.07211792 1.00000000
1 0 0 1 1
0.06498850 1.00000000
2 1 1 2 1
1.17524879 -0.21716068
0.46777763 0.69889360
2 1 1 1 1
0.15778269 1.00000000
2 2 2 1 1
0.262520036136 1.00000000
2 2 2 1 1
0.767794709560E-01 1.00000000
3 3 3 1 1
0.105292485963 1.00000000
#################################################################
# Barium
#################################################################
Ba admm-dz-q10
4
1 0 0 2 1
3.18039272 0.22511956
1.90667825 -0.65594525
1 0 0 1 1
0.32827658 1.00000000
1 0 0 1 1
0.04933779 1.00000000
2 1 1 3 1
3.18039272 0.46345834
2.87255548 -0.56503978
0.32987285 1.03712118
Ba admm-dzp-q10
5
1 0 0 2 1
3.18039272 0.22511956
1.90667825 -0.65594525
1 0 0 1 1
0.32827658 1.00000000
1 0 0 1 1
0.04933779 1.00000000
2 1 1 3 1
3.18039272 0.46345834
2.87255548 -0.56503978
0.32987285 1.03712118
2 2 2 1 1
0.112924581503 1.00000000
Ba admm-tzp-q10
7
1 0 0 2 1
3.38727315 -3.64838427
3.05716599 9.64146019
1 0 0 1 1
2.76027656 1.00000000
1 0 0 1 1
0.32213761 1.00000000
1 0 0 1 1
0.04943417 1.00000000
2 1 1 2 1
3.38727315 0.20993368
2.76027656 -0.31119360
2 1 1 1 1
0.32974299 1.00000000
2 2 2 1 1
0.112924581503 1.00000000
Ba admm-tz2p-q10
9
1 0 0 2 1
3.38727315 -3.64838427
3.05716599 9.64146019
1 0 0 1 1
2.76027656 1.00000000
1 0 0 1 1
0.32213761 1.00000000
1 0 0 1 1
0.04943417 1.00000000
2 1 1 2 1
3.38727315 0.20993368
2.76027656 -0.31119360
2 1 1 1 1
0.32974299 1.00000000
2 2 2 1 1
0.280703757633 1.00000000
2 2 2 1 1
0.821097387714E-01 1.00000000
3 3 3 1 1
0.112924581503 1.00000000
#################################################################
# Lanthanum - Lutetium
#################################################################
#################################################################
# Hafnium
#################################################################
Hf admm-dz-q12
7
1 0 0 2 1
1.91871897 -0.56623592
1.73011183 0.57609374
1 0 0 1 1
0.49510157 1.00000000
1 0 0 1 1
0.06971640 1.00000000
2 1 1 2 1
3.91831946 -0.13963592
0.97930808 0.69439702
2 1 1 1 1
0.36322654 1.00000000
2 2 2 2 1
0.87390361 -0.34513195
0.28220752 -0.51216569
2 2 2 1 1
0.08051166 1.00000000
Hf admm-dzp-q12
8
1 0 0 2 1
1.91871897 -0.56623592
1.73011183 0.57609374
1 0 0 1 1
0.49510157 1.00000000
1 0 0 1 1
0.06971640 1.00000000
2 1 1 2 1
3.91831946 -0.13963592
0.97930808 0.69439702
2 1 1 1 1
0.36322654 1.00000000
2 2 2 2 1
0.87390361 -0.34513195
0.28220752 -0.51216569
2 2 2 1 1
0.08051166 1.00000000
3 3 3 1 1
0.2700000 1.0000000
Hf admm-tzp-q12
11
1 0 0 2 1
5.20750284 1.90732713
4.66341239 -2.41084046
1 0 0 1 1
0.95118137 1.00000000
1 0 0 1 1
0.45188692 1.00000000
1 0 0 1 1
0.06929425 1.00000000
2 1 1 2 1
5.48850713 0.20385714
4.92589356 -0.33075985
2 1 1 1 1
0.94921791 1.00000000
2 1 1 1 1
0.35339673 1.00000000
2 2 2 2 1
7.92728494 -0.00069032
0.87652203 0.34357866
2 2 2 1 1
0.28336924 1.00000000
2 2 2 1 1
0.08073673 1.00000000
3 3 3 1 1
0.2700000 1.0000000
Hf admm-tz2p-q12
13
1 0 0 2 1
5.20750284 1.90732713
4.66341239 -2.41084046
1 0 0 1 1
0.95118137 1.00000000
1 0 0 1 1
0.45188692 1.00000000
1 0 0 1 1
0.06929425 1.00000000
2 1 1 2 1
5.48850713 0.20385714
4.92589356 -0.33075985
2 1 1 1 1
0.94921791 1.00000000
2 1 1 1 1
0.35339673 1.00000000
2 2 2 2 1
7.92728494 -0.00069032
0.87652203 0.34357866
2 2 2 1 1
0.28336924 1.00000000
2 2 2 1 1
0.08073673 1.00000000
3 3 3 1 1
0.5521000 1.0000000
3 3 3 1 1
0.1605000 1.0000000
4 4 4 1 1
0.3579000 1.0000000
#################################################################
# Tantalum
#################################################################
Ta admm-dz-q13
7
1 0 0 2 1
2.66174745 0.70757965
1.30374786 -0.82494958
1 0 0 1 1
0.55576764 1.00000000
1 0 0 1 1
0.07664800 1.00000000
2 1 1 2 1
3.99571012 -0.14867454
1.02873240 0.70924449
2 1 1 1 1
0.38780554 1.00000000
2 2 2 2 1
1.04552831 -0.32552845
0.35933530 -0.52429832
2 2 2 1 1
0.10524016 1.00000000
Ta admm-dzp-q13
8
1 0 0 2 1
2.66174745 0.70757965
1.30374786 -0.82494958
1 0 0 1 1
0.55576764 1.00000000
1 0 0 1 1
0.07664800 1.00000000
2 1 1 2 1
3.99571012 -0.14867454
1.02873240 0.70924449
2 1 1 1 1
0.38780554 1.00000000
2 2 2 2 1
1.04552831 -0.32552845
0.35933530 -0.52429832
2 2 2 1 1
0.10524016 1.00000000
3 3 3 1 1
0.3735000 1.0000000
Ta admm-tzp-q13
11
1 0 0 2 1
4.13750076 -0.66552225
3.71647474 1.12146240
1 0 0 1 1
0.88597653 1.00000000
1 0 0 1 1
0.37808551 1.00000000
1 0 0 1 1
0.07459103 1.00000000
2 1 1 2 1
5.48616882 0.19797652
4.92247392 -0.33408797
2 1 1 1 1
0.99982893 1.00000000
2 1 1 1 1
0.37847826 1.00000000
2 2 2 2 1
1.19733256 0.22425629
0.51337528 0.41473312
2 2 2 1 1
0.19275089 1.00000000
2 2 2 1 1
0.06510142 1.00000000
3 3 3 1 1
0.3735000 1.0000000
Ta admm-tz2p-q13
13
1 0 0 2 1
4.13750076 -0.66552225
3.71647474 1.12146240
1 0 0 1 1
0.88597653 1.00000000
1 0 0 1 1
0.37808551 1.00000000
1 0 0 1 1
0.07459103 1.00000000
2 1 1 2 1
5.48616882 0.19797652
4.92247392 -0.33408797
2 1 1 1 1
0.99982893 1.00000000
2 1 1 1 1
0.37847826 1.00000000
2 2 2 2 1
1.19733256 0.22425629
0.51337528 0.41473312
2 2 2 1 1
0.19275089 1.00000000
2 2 2 1 1
0.06510142 1.00000000
3 3 3 1 1
0.6951000 1.0000000
3 3 3 1 1
0.2086000 1.0000000
4 4 4 1 1
0.4780000 1.0000000
#################################################################
# Tungsten
#################################################################
W admm-dz-q14
7
1 0 0 2 1
2.74328371 0.76501106
1.42524904 -0.85833581
1 0 0 1 1
0.60318119 1.00000000
1 0 0 1 1
0.08295651 1.00000000
2 1 1 2 1
4.06277808 -0.15605975
1.09399078 0.71879601
2 1 1 1 1
0.41668032 1.00000000
2 2 2 2 1
1.17017563 -0.32422249
0.41785825 -0.53146766
2 2 2 1 1
0.12570285 1.00000000
W admm-dzp-q14
8
1 0 0 2 1
2.74328371 0.76501106
1.42524904 -0.85833581
1 0 0 1 1
0.60318119 1.00000000
1 0 0 1 1
0.08295651 1.00000000
2 1 1 2 1
4.06277808 -0.15605975
1.09399078 0.71879601
2 1 1 1 1
0.41668032 1.00000000
2 2 2 2 1
1.17017563 -0.32422249
0.41785825 -0.53146766
2 2 2 1 1
0.12570285 1.00000000
3 3 3 1 1
0.4769000 1.0000000
W admm-tzp-q14
11
1 0 0 2 1
4.55293392 0.73582092
4.09239230 -1.17255080
1 0 0 1 1
0.87068664 1.00000000
1 0 0 1 1
0.28876195 1.00000000
1 0 0 1 1
0.07747615 1.00000000
2 1 1 2 1
5.58881662 0.20525129
5.01471768 -0.34716163
2 1 1 1 1
1.06125712 1.00000000
2 1 1 1 1
0.40597111 1.00000000
2 2 2 2 1
1.34287522 0.21874449
0.58921367 0.42863944
2 2 2 1 1
0.22626566 1.00000000
2 2 2 1 1
0.07796399 1.00000000
3 3 3 1 1
0.4769000 1.0000000
W admm-tz2p-q14
13
1 0 0 2 1
4.55293392 0.73582092
4.09239230 -1.17255080
1 0 0 1 1
0.87068664 1.00000000
1 0 0 1 1
0.28876195 1.00000000
1 0 0 1 1
0.07747615 1.00000000
2 1 1 2 1
5.58881662 0.20525129
5.01471768 -0.34716163
2 1 1 1 1
1.06125712 1.00000000
2 1 1 1 1
0.40597111 1.00000000
2 2 2 2 1
1.34287522 0.21874449
0.58921367 0.42863944
2 2 2 1 1
0.22626566 1.00000000
2 2 2 1 1
0.07796399 1.00000000
3 3 3 1 1
0.8266000 1.0000000
3 3 3 1 1
0.2560000 1.0000000
4 4 4 1 1
0.6205000 1.0000000
#################################################################
# Rhenium
#################################################################
Re admm-dz-q15
7
1 0 0 2 1
2.77304919 0.93384216
1.66680260 -0.95975961
1 0 0 1 1
0.66840925 1.00000000
1 0 0 1 1
0.08888783 1.00000000
2 1 1 2 1
4.08530202 -0.15667490
1.15667756 0.72924268
2 1 1 1 1
0.44455515 1.00000000
2 2 2 2 1
1.29035891 -0.32384157
0.47436746 -0.53667055
2 2 2 1 1
0.14567675 1.00000000
Re admm-dzp-q15
8
1 0 0 2 1
2.77304919 0.93384216
1.66680260 -0.95975961
1 0 0 1 1
0.66840925 1.00000000
1 0 0 1 1
0.08888783 1.00000000
2 1 1 2 1
4.08530202 -0.15667490
1.15667756 0.72924268
2 1 1 1 1
0.44455515 1.00000000
2 2 2 2 1
1.29035891 -0.32384157
0.47436746 -0.53667055
2 2 2 1 1
0.14567675 1.00000000
3 3 3 1 1
0.5533000 1.0000000
Re admm-tzp-q15
11
1 0 0 2 1
4.98136553 -0.79121107
4.47987409 1.21472694
1 0 0 1 1
0.88263141 1.00000000
1 0 0 1 1
0.19622391 1.00000000
1 0 0 1 1
0.07383831 1.00000000
2 1 1 2 1
5.64856569 0.20497883
5.06801231 -0.34601986
2 1 1 1 1
1.12080738 1.00000000
2 1 1 1 1
0.43260042 1.00000000
2 2 2 2 1
1.48750476 0.21265406
0.66771127 0.43641886
2 2 2 1 1
0.26175411 1.00000000
2 2 2 1 1
0.09147985 1.00000000
3 3 3 1 1
0.5533000 1.0000000
Re admm-tz2p-q15
13
1 0 0 2 1
4.98136553 -0.79121107
4.47987409 1.21472694
1 0 0 1 1
0.88263141 1.00000000
1 0 0 1 1
0.19622391 1.00000000
1 0 0 1 1
0.07383831 1.00000000
2 1 1 2 1
5.64856569 0.20497883
5.06801231 -0.34601986
2 1 1 1 1
1.12080738 1.00000000
2 1 1 1 1
0.43260042 1.00000000
2 2 2 2 1
1.48750476 0.21265406
0.66771127 0.43641886
2 2 2 1 1
0.26175411 1.00000000
2 2 2 1 1
0.09147985 1.00000000
3 3 3 1 1
0.9339000 1.0000000
3 3 3 1 1
0.2939000 1.0000000
4 4 4 1 1
0.7368000 1.0000000
#################################################################
# Osmium
#################################################################
Os admm-dz-q16
7
1 0 0 2 1
2.52770089 3.74380219
2.26309160 -3.67605730
1 0 0 1 1
0.74736531 1.00000000
1 0 0 1 1
0.09447889 1.00000000
2 1 1 2 1
4.16745108 -0.16300344
1.22409011 0.73887952
2 1 1 1 1
0.47378858 1.00000000
2 2 2 2 1
1.38579524 -0.33098188
0.52128656 -0.53823329
2 2 2 1 1
0.16334615 1.00000000
Os admm-dzp-q16
8
1 0 0 2 1
2.52770089 3.74380219
2.26309160 -3.67605730
1 0 0 1 1
0.74736531 1.00000000
1 0 0 1 1
0.09447889 1.00000000
2 1 1 2 1
4.16745108 -0.16300344
1.22409011 0.73887952
2 1 1 1 1
0.47378858 1.00000000
2 2 2 2 1
1.38579524 -0.33098188
0.52128656 -0.53823329
2 2 2 1 1
0.16334615 1.00000000
3 3 3 1 1
0.6278000 1.0000000
Os admm-tzp-q16
11
1 0 0 2 1
2.53448716 3.78926112
2.27425135 -3.71452884
1 0 0 1 1
0.76214759 1.00000000
1 0 0 1 1
0.16994160 1.00000000
1 0 0 1 1
0.06164294 1.00000000
2 1 1 2 1
5.76865513 0.21085088
5.17593383 -0.35675243
2 1 1 1 1
1.18474782 1.00000000
2 1 1 1 1
0.46051475 1.00000000
2 2 2 2 1
1.58118693 0.22152860
0.72315579 0.44083451
2 2 2 1 1
0.28961320 1.00000000
2 2 2 1 1
0.10287796 1.00000000
3 3 3 1 1
0.6278000 1.0000000
Os admm-tz2p-q16
13
1 0 0 2 1
2.53448716 3.78926112
2.27425135 -3.71452884
1 0 0 1 1
0.76214759 1.00000000
1 0 0 1 1
0.16994160 1.00000000
1 0 0 1 1
0.06164294 1.00000000
2 1 1 2 1
5.76865513 0.21085088
5.17593383 -0.35675243
2 1 1 1 1
1.18474782 1.00000000
2 1 1 1 1
0.46051475 1.00000000
2 2 2 2 1
1.58118693 0.22152860
0.72315579 0.44083451
2 2 2 1 1
0.28961320 1.00000000
2 2 2 1 1
0.10287796 1.00000000
3 3 3 1 1
1.0510000 1.0000000
3 3 3 1 1
0.3372000 1.0000000
4 4 4 1 1
0.8435000 1.0000000
#################################################################
# Iridium
#################################################################
Ir admm-dz-q17
7
1 0 0 2 1
2.65528495 3.88345755
2.38358603 -3.81596436
1 0 0 1 1
0.79735833 1.00000000
1 0 0 1 1
0.09968681 1.00000000
2 1 1 2 1
4.26443976 -0.16344068
1.28946458 0.74714772
2 1 1 1 1
0.50248092 1.00000000
2 2 2 2 1
1.51351657 -0.32619252
0.58088061 -0.54281260
2 2 2 1 1
0.18414453 1.00000000
Ir admm-dzp-q17
8
1 0 0 2 1
2.65528495 3.88345755
2.38358603 -3.81596436
1 0 0 1 1
0.79735833 1.00000000
1 0 0 1 1
0.09968681 1.00000000
2 1 1 2 1
4.26443976 -0.16344068
1.28946458 0.74714772
2 1 1 1 1
0.50248092 1.00000000
2 2 2 2 1
1.51351657 -0.32619252
0.58088061 -0.54281260
2 2 2 1 1
0.18414453 1.00000000
3 3 3 1 1
0.7127000 1.0000000
Ir admm-tzp-q17
11
1 0 0 2 1
5.53647449 -0.83742075
4.98248161 1.27095256
1 0 0 1 1
0.98963033 1.00000000
1 0 0 1 1
0.18415323 1.00000000
1 0 0 1 1
0.07430808 1.00000000
2 1 1 2 1
5.91838892 0.20946954
5.31010382 -0.35469544
2 1 1 1 1
1.24689056 1.00000000
2 1 1 1 1
0.48792897 1.00000000
2 2 2 2 1
1.75813405 0.20431691
0.81873383 0.44775383
2 2 2 1 1
0.33033501 1.00000000
2 2 2 1 1
0.11822799 1.00000000
3 3 3 1 1
0.7127000 1.0000000
Ir admm-tz2p-q17
13
1 0 0 2 1
5.53647449 -0.83742075
4.98248161 1.27095256
1 0 0 1 1
0.98963033 1.00000000
1 0 0 1 1
0.18415323 1.00000000
1 0 0 1 1
0.07430808 1.00000000
2 1 1 2 1
5.91838892 0.20946954
5.31010382 -0.35469544
2 1 1 1 1
1.24689056 1.00000000
2 1 1 1 1
0.48792897 1.00000000
2 2 2 2 1
1.75813405 0.20431691
0.81873383 0.44775383
2 2 2 1 1
0.33033501 1.00000000
2 2 2 1 1
0.11822799 1.00000000
3 3 3 1 1
1.1759000 1.0000000
3 3 3 1 1
0.3847000 1.0000000
4 4 4 1 1
0.9577000 1.0000000
#################################################################
# Platinum
#################################################################
Pt admm-dz-q18
7
1 0 0 2 1
2.59006267 0.58294690
2.33470978 -0.59830237
1 0 0 1 1
0.72908213 1.00000000
1 0 0 1 1
0.10544586 1.00000000
2 1 1 2 1
4.56552187 -0.15077067
1.40715444 0.74705907
2 1 1 1 1
0.54474727 1.00000000
2 2 2 2 1
1.20177282 -0.52879475
0.41824921 -0.47471797
2 2 2 1 1
0.14098272 1.00000000
Pt admm-dzp-q18
8
1 0 0 2 1
2.59006267 0.58294690
2.33470978 -0.59830237
1 0 0 1 1
0.72908213 1.00000000
1 0 0 1 1
0.10544586 1.00000000
2 1 1 2 1
4.56552187 -0.15077067
1.40715444 0.74705907
2 1 1 1 1
0.54474727 1.00000000
2 2 2 2 1
1.20177282 -0.52879475
0.41824921 -0.47471797
2 2 2 1 1
0.14098272 1.00000000
3 3 3 1 1
0.8018000 1.0000000
Pt admm-tzp-q18
11
1 0 0 2 1
6.45716265 -1.73481696
5.80445331 2.25813221
1 0 0 1 1
1.22503717 1.00000000
1 0 0 1 1
0.48248445 1.00000000
1 0 0 1 1
0.10020730 1.00000000
2 1 1 2 1
6.33742192 0.19478466
5.68566246 -0.32892194
2 1 1 1 1
1.36675421 1.00000000
2 1 1 1 1
0.52976283 1.00000000
2 2 2 2 1
5.29398987 -0.05214581
1.51922447 0.40675577
2 2 2 1 1
0.57162405 1.00000000
2 2 2 1 1
0.18683539 1.00000000
3 3 3 1 1
0.8018000 1.0000000
Pt admm-tz2p-q18
13
1 0 0 2 1
6.45716265 -1.73481696
5.80445331 2.25813221
1 0 0 1 1
1.22503717 1.00000000
1 0 0 1 1
0.48248445 1.00000000
1 0 0 1 1
0.10020730 1.00000000
2 1 1 2 1
6.33742192 0.19478466
5.68566246 -0.32892194
2 1 1 1 1
1.36675421 1.00000000
2 1 1 1 1
0.52976283 1.00000000
2 2 2 2 1
5.29398987 -0.05214581
1.51922447 0.40675577
2 2 2 1 1
0.57162405 1.00000000
2 2 2 1 1
0.18683539 1.00000000
3 3 3 1 1
1.3040000 1.0000000
3 3 3 1 1
0.4337000 1.0000000
4 4 4 1 1
1.0772000 1.0000000
#################################################################
# Gold
#################################################################
Au admm-dz-q11
5
1 0 0 2 1
1.44407685 1.46922974
1.29582956 -1.76479471
1 0 0 1 1
0.10665369 1.00000000
2 1 1 1 1
0.06901393 1.00000000
2 2 2 2 1
1.38970476 -0.45958051
0.55147103 -0.49070348
2 2 2 1 1
0.19188151 1.00000000
Au admm-dzp-q11
6
1 0 0 2 1
1.44407685 1.46922974
1.29582956 -1.76479471
1 0 0 1 1
0.10665369 1.00000000
2 1 1 1 1
0.06901393 1.00000000
2 2 2 2 1
1.38970476 -0.45958051
0.55147103 -0.49070348
2 2 2 1 1
0.19188151 1.00000000
3 3 3 1 1
0.8919000 1.0000000
Au admm-tzp-q11
9
1 0 0 2 1
1.86348707 -1.99608925
1.66923891 5.74558910
1 0 0 1 1
1.49584896 1.00000000
1 0 0 1 1
0.10578613 1.00000000
2 1 1 1 1
0.13976894 1.00000000
2 1 1 1 1
0.06249240 1.00000000
2 2 2 2 1
6.79487809 -0.00190526
1.40916351 0.44855858
2 2 2 1 1
0.56349482 1.00000000
2 2 2 1 1
0.19543547 1.00000000
3 3 3 1 1
0.8919000 1.0000000
Au admm-tz2p-q11
11
1 0 0 2 1
1.86348707 -1.99608925
1.66923891 5.74558910
1 0 0 1 1
1.49584896 1.00000000
1 0 0 1 1
0.10578613 1.00000000
2 1 1 1 1
0.13976894 1.00000000
2 1 1 1 1
0.06249240 1.00000000
2 2 2 2 1
6.79487809 -0.00190526
1.40916351 0.44855858
2 2 2 1 1
0.56349482 1.00000000
2 2 2 1 1
0.19543547 1.00000000
3 3 3 1 1
1.4385000 1.0000000
3 3 3 1 1
0.4878000 1.0000000
4 4 4 1 1
1.2257000 1.0000000
#################################################################
# Mercury
#################################################################
Hg admm-dz-q12
5
1 0 0 2 1
1.54600554 1.34329907
1.38709837 -1.61823468
1 0 0 1 1
0.11292531 1.00000000
2 1 1 1 1
0.07012933 1.00000000
2 2 2 2 1
1.49013590 -0.48172492
0.58209042 -0.48248928
2 2 2 1 1
0.20360769 1.00000000
Hg admm-dzp-q12
6
1 0 0 2 1
1.54600554 1.34329907
1.38709837 -1.61823468
1 0 0 1 1
0.11292531 1.00000000
2 1 1 1 1
0.07012933 1.00000000
2 2 2 2 1
1.49013590 -0.48172492
0.58209042 -0.48248928
2 2 2 1 1
0.20360769 1.00000000
3 3 3 1 1
0.9974000 1.00000000
Hg admm-tzp-q12
9
1 0 0 2 1
1.98439338 -1.79826146
1.77767656 5.20083025
1 0 0 1 1
1.59314079 -3.67325850
1 0 0 1 1
0.11204722 1.10281812
2 1 1 1 1
0.14229128 -0.19194811
2 1 1 1 1
0.06218900 -0.83784116
2 2 2 2 1
6.08787911 -0.00499677
1.53864699 0.45763588
2 2 2 1 1
0.61197454 0.49169507
2 2 2 1 1
0.21281534 0.22636357
3 3 3 1 1
0.9974000 1.00000000
Hg admm-tz2p-q12
11
1 0 0 2 1
1.98439338 -1.79826146
1.77767656 5.20083025
1 0 0 1 1
1.59314079 -3.67325850
1 0 0 1 1
0.11204722 1.10281812
2 1 1 1 1
0.14229128 -0.19194811
2 1 1 1 1
0.06218900 -0.83784116
2 2 2 2 1
6.08787911 -0.00499677
1.53864699 0.45763588
2 2 2 1 1
0.61197454 0.49169507
2 2 2 1 1
0.21281534 0.22636357
3 3 3 1 1
1.5814000 1.0000000
3 3 3 1 1
0.5423000 1.0000000
4 4 4 1 1
1.3737000 1.0000000
#################################################################
# Thallium
#################################################################
Tl admm-dz-q13
6
1 0 0 2 1
0.48075067 -4.45374175
0.43157350 4.50078454
1 0 0 1 1
0.09359844 1.00000000
2 1 1 2 1
0.48807005 -0.21237985
0.25933725 0.43406198
2 1 1 1 1
0.06449865 1.00000000
2 2 2 2 1
1.50924086 -0.52227223
0.59326417 -0.46467944
2 2 2 1 1
0.21741066 1.00000000
Tl admm-dzp-q13
7
1 0 0 2 1
0.48075067 -4.45374175
0.43157350 4.50078454
1 0 0 1 1
0.09359844 1.00000000
2 1 1 2 1
0.48807005 -0.21237985
0.25933725 0.43406198
2 1 1 1 1
0.06449865 1.00000000
2 2 2 2 1
1.50924086 -0.52227223
0.59326417 -0.46467944
2 2 2 1 1
0.21741066 1.00000000
3 3 3 1 1
0.2918000 1.0000000
Tl admm-tzp-q13
10
1 0 0 2 1
1.90653785 0.21881814
1.10214544 -0.59437734
1 0 0 1 1
0.19021299 1.00000000
1 0 0 1 1
0.07227916 1.00000000
2 1 1 2 1
1.82058513 0.03030326
0.80284589 -0.12662731
2 1 1 1 1
0.21813464 1.00000000
2 1 1 1 1
0.06391352 1.00000000
2 2 2 2 1
5.30632073 -0.01014988
1.60514883 0.47431836
2 2 2 1 1
0.65677463 1.00000000
2 2 2 1 1
0.23888876 1.00000000
3 3 3 1 1
0.2918000 1.0000000
Tl admm-tz2p-q13
12
1 0 0 2 1
1.90653785 0.21881814
1.10214544 -0.59437734
1 0 0 1 1
0.19021299 1.00000000
1 0 0 1 1
0.07227916 1.00000000
2 1 1 2 1
1.82058513 0.03030326
0.80284589 -0.12662731
2 1 1 1 1
0.21813464 1.00000000
2 1 1 1 1
0.06391352 1.00000000
2 2 2 2 1
5.30632073 -0.01014988
1.60514883 0.47431836
2 2 2 1 1
0.65677463 1.00000000
2 2 2 1 1
0.23888876 1.00000000
3 3 3 1 1
0.4263000 1.00000000
3 3 3 1 1
0.1690000 1.00000000
4 4 4 1 1
0.3693000 1.00000000
#################################################################
# Lead
#################################################################
Pb admm-dz-q4
4
1 0 0 2 1
1.42137164 0.82609485
1.27597681 -1.12091344
1 0 0 1 1
0.14709192 1.00000000
2 1 1 2 1
0.68494167 -0.17271346
0.32640408 0.29821577
2 1 1 1 1
0.09475852 1.00000000
Pb admm-dzp-q4
5
1 0 0 2 1
1.42137164 0.82609485
1.27597681 -1.12091344
1 0 0 1 1
0.14709192 1.00000000
2 1 1 2 1
0.68494167 -0.17271346
0.32640408 0.29821577
2 1 1 1 1
0.09475852 1.00000000
2 2 2 1 1
0.745375994042E-01 1.00000000
Pb admm-tzp-q4
7
1 0 0 1 1
1.42106086 1.00000000
1 0 0 1 1
1.27568904 1.00000000
1 0 0 1 1
0.14708442 1.00000000
2 1 1 2 1
1.31831508 -0.02184645
0.45199313 -1.17362307
2 1 1 1 1
0.40492853 1.00000000
2 1 1 1 1
0.09471609 1.00000000
2 2 2 1 1
0.745375994042E-01 1.00000000
Pb admm-tz2p-q4
9
1 0 0 1 1
1.42106086 1.00000000
1 0 0 1 1
1.27568904 1.00000000
1 0 0 1 1
0.14708442 1.00000000
2 1 1 2 1
1.31831508 -0.02184645
0.45199313 -1.17362307
2 1 1 1 1
0.40492853 1.00000000
2 1 1 1 1
0.09471609 1.00000000
2 2 2 1 1
0.235978822453 1.00000000
2 2 2 1 1
0.664599969897E-01 1.00000000
3 3 3 1 1
0.2900000 1.00000000
#################################################################
# Bismuth
#################################################################
Bi admm-dz-q5
4
1 0 0 2 1
1.60965962 1.09680072
1.44600024 -1.41883166
1 0 0 1 1
0.17134367 1.00000000
2 1 1 2 1
0.83982997 -0.15317558
0.29311175 0.40188526
2 1 1 1 1
0.09741199 1.00000000
Bi admm-dzp-q5
5
1 0 0 2 1
1.60965962 1.09680072
1.44600024 -1.41883166
1 0 0 1 1
0.17134367 1.00000000
2 1 1 2 1
0.83982997 -0.15317558
0.29311175 0.40188526
2 1 1 1 1
0.09741199 1.00000000
2 2 2 1 1
0.848634697918E-01 1.00000000
Bi admm-tzp-q5
7
1 0 0 1 1
1.60976089 1.00000000
1 0 0 1 1
1.44609547 1.00000000
1 0 0 1 1
0.17133606 1.00000000
2 1 1 2 1
4.49751607 0.00125317
0.86189809 -0.14859116
2 1 1 1 1
0.28970899 1.00000000
2 1 1 1 1
0.09731685 1.00000000
2 2 2 1 1
0.848634697918E-01 1.00000000
Bi admm-tz2p-q5
9
1 0 0 1 1
1.60976089 1.00000000
1 0 0 1 1
1.44609547 1.00000000
1 0 0 1 1
0.17133606 1.00000000
2 1 1 2 1
4.49751607 0.00125317
0.86189809 -0.14859116
2 1 1 1 1
0.28970899 1.00000000
2 1 1 1 1
0.09731685 1.00000000
2 2 2 1 1
0.841850199084E-01 1.00000000
2 2 2 1 1
0.413199758361E-01 1.00000000
3 3 3 1 1
0.3164000 1.0000000
#################################################################
# Polonium
#################################################################
Po admm-dz-q6
4
1 0 0 2 1
1.76146661 1.08833398
1.58243259 -1.41730069
1 0 0 1 1
0.19651472 1.00000000
2 1 1 2 1
1.03198922 -0.11148736
0.28417051 0.50315209
2 1 1 1 1
0.10001671 1.00000000
Po admm-dzp-q6
5
1 0 0 2 1
1.76146661 1.08833398
1.58243259 -1.41730069
1 0 0 1 1
0.19651472 1.00000000
2 1 1 2 1
1.03198922 -0.11148736
0.28417051 0.50315209
2 1 1 1 1
0.10001671 1.00000000
2 2 2 1 1
0.818418884099E-01 1.00000000
Po admm-tzp-q6
7
1 0 0 1 1
1.76170238 1.00000000
1 0 0 1 1
1.58265288 1.00000000
1 0 0 1 1
0.19650062 1.00000000
2 1 1 2 1
3.78982052 0.00249256
1.08346582 -0.10842754
2 1 1 1 1
0.28054431 1.00000000
2 1 1 1 1
0.09974752 1.00000000
2 2 2 1 1
0.818418884099E-01 1.00000000
Po admm-tz2p-q6
9
1 0 0 1 1
1.76170238 1.00000000
1 0 0 1 1
1.58265288 1.00000000
1 0 0 1 1
0.19650062 1.00000000
2 1 1 2 1
3.78982052 0.00249256
1.08346582 -0.10842754
2 1 1 1 1
0.28054431 1.00000000
2 1 1 1 1
0.09974752 1.00000000
2 2 2 1 1
0.239903045117 1.00000000
2 2 2 1 1
0.688969764017E-01 1.00000000
3 3 3 1 1
0.3250000 1.00000000
#################################################################
# Astatine
#################################################################
At admm-dz-q7
4
1 0 0 2 1
0.65360470 -0.50440272
0.58704761 0.51796412
1 0 0 1 1
0.15507414 1.00000000
2 1 1 2 1
1.09547159 -0.15716676
0.31389446 0.58782347
2 1 1 1 1
0.10624125 1.00000000
At admm-dzp-q7
5
1 0 0 2 1
0.65360470 -0.50440272
0.58704761 0.51796412
1 0 0 1 1
0.15507414 1.00000000
2 1 1 2 1
1.09547159 -0.15716676
0.31389446 0.58782347
2 1 1 1 1
0.10624125 1.00000000
2 2 2 1 1
0.841552697620E-01 1.00000000
At admm-tzp-q7
7
1 0 0 1 1
1.91430456 1.00000000
1 0 0 1 1
1.72121520 1.00000000
1 0 0 1 1
0.22209882 1.00000000
2 1 1 2 1
0.84283629 -0.93100827
0.75618680 0.87351512
2 1 1 1 1
0.26830736 1.00000000
2 1 1 1 1
0.10188447 1.00000000
2 2 2 1 1
0.841552697620E-01 1.00000000
At admm-tz2p-q7
9
1 0 0 1 1
1.91430456 1.00000000
1 0 0 1 1
1.72121520 1.00000000
1 0 0 1 1
0.22209882 1.00000000
2 1 1 2 1
0.84283629 -0.93100827
0.75618680 0.87351512
2 1 1 1 1
0.26830736 1.00000000
2 1 1 1 1
0.10188447 1.00000000
2 2 2 1 1
0.241794947416 1.00000000
2 2 2 1 1
0.696887004392E-01 1.00000000
3 3 3 1 1
0.3719000 1.00000000
#################################################################
# Radon
#################################################################
Rn admm-dz-q8
4
1 0 0 2 1
0.70352689 -5.25189083
0.63222144 5.40528432
1 1 1 1 1
0.16985751 1.00000000
1 1 1 2 1
1.16044863 -0.16534377
0.33734451 0.63723460
1 1 1 1 1
0.11425571 1.00000000
Rn admm-dzp-q8
5
1 0 0 2 1
0.70352689 -5.25189083
0.63222144 5.40528432
1 1 1 1 1
0.16985751 1.00000000
1 1 1 2 1
1.16044863 -0.16534377
0.33734451 0.63723460
1 1 1 1 1
0.11425571 1.00000000
2 2 2 1 1
0.131519135725 1.00000000
Rn admm-tzp-q8
7
1 0 0 2 1
1.80179130 1.48634403
1.61326481 -1.95839108
1 0 0 1 1
0.34228365 1.00000000
1 0 0 1 1
0.14001353 1.00000000
1 1 1 2 1
1.93085833 0.34899448
1.73068411 -0.48182328
1 1 1 1 1
0.31431675 1.00000000
1 1 1 1 1
0.10992244 1.00000000
2 2 2 1 1
0.131519135725 1.00000000
Rn admm-tz2p-q8
8
1 0 0 2 1
1.80179130 1.48634403
1.61326481 -1.95839108
1 0 0 1 1
0.34228365 1.00000000
1 0 0 1 1
0.14001353 1.00000000
1 1 1 2 1
1.93085833 0.34899448
1.73068411 -0.48182328
1 1 1 1 1
0.31431675 1.00000000
1 1 1 1 1
0.10992244 1.00000000
2 2 2 1 1
0.131519135725 1.00000000
3 3 3 1 1
0.4303000 1.00000000
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