element(s):
['Na', 'O']
AFLOW prototype label:
AB_hP12_189_fg_eh
Parameter names:
['a', 'c/a', 'z1', 'x2', 'x3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.2557', '0.71744169', '0.17081783', '0.36754429', '0.70022554', '0.32711252']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'Na', 'O', 'O']
representative atom coordinates =  [[0.36754429 0.         0.        ]
 [0.70022554 0.         0.5       ]
 [0.         0.         0.17081783]
 [0.33333333 0.66666667 0.32711252]]
spacegroup =  189
cell =  [[6.2557, 0, 0], [-3.12785, 5.4175951184543, 0], [0, 0, 4.4881]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:37:38     -119.956780         9.678086
BFGS:    1 12:37:38     -122.369991         9.528837
BFGS:    2 12:37:38     -124.675097         5.363114
BFGS:    3 12:37:38     -125.003712        11.729761
BFGS:    4 12:37:38     -125.948228         3.617448
BFGS:    5 12:37:38     -126.382444         3.043868
BFGS:    6 12:37:38     -126.679689         2.398266
BFGS:    7 12:37:38     -126.892535         1.680912
BFGS:    8 12:37:38     -127.024954         0.932568
BFGS:    9 12:37:38     -127.080875         0.881922
BFGS:   10 12:37:38     -127.101629         1.021643
BFGS:   11 12:37:39     -127.124902         0.918227
BFGS:   12 12:37:39     -127.157760         0.584166
BFGS:   13 12:37:39     -127.173753         0.319812
BFGS:   14 12:37:39     -127.175449         0.135302
BFGS:   15 12:37:39     -127.175554         0.047308
BFGS:   16 12:37:39     -127.175573         0.001270
BFGS:   17 12:37:39     -127.175573         0.000156
BFGS:   18 12:37:40     -127.175573         0.000035
BFGS:   19 12:37:40     -127.175573         0.000006
BFGS:   20 12:37:40     -127.175573         0.000000
BFGS:   21 12:37:40     -127.175573         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.6352955572332223e-09 eV/Angstrom
Maximum stress component: 2.6109640620133935e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O']
basis =  [[3.79503613e-01 1.03239842e-32 1.99725490e-34]
 [1.00000000e+00 3.79503613e-01 8.53089768e-35]
 [6.20496387e-01 6.20496387e-01 1.42454243e-34]
 [7.12961501e-01 6.19176099e-33 5.00000000e-01]
 [1.00000000e+00 7.12961501e-01 5.00000000e-01]
 [2.87038499e-01 2.87038499e-01 5.00000000e-01]
 [0.00000000e+00 3.69792460e-36 1.46726017e-01]
 [0.00000000e+00 0.00000000e+00 8.53273983e-01]
 [3.33333333e-01 6.66666667e-01 3.49941367e-01]
 [3.33333333e-01 6.66666667e-01 6.50058633e-01]
 [6.66666667e-01 3.33333333e-01 6.50058633e-01]
 [6.66666667e-01 3.33333333e-01 3.49941367e-01]]
cellpar =  Cell([[6.031433619082207, 8.543211194086653e-18, 2.667912870585721e-37], [-3.0157168095411033, 5.223374735364705, 1.7955991874697177e-36], [-4.0765492387288655e-37, 2.747032021011444e-35, 4.480095243365201]])
forces =  [[ 9.23009682e-10  1.30773846e-27  4.08279286e-47]
 [-4.61504841e-10  7.99349833e-10  2.74786318e-46]
 [-4.61504841e-10 -7.99349833e-10 -3.15614247e-46]
 [-1.63529556e-09 -2.31699227e-27 -7.23348103e-47]
 [ 8.17647779e-10 -1.41620750e-09 -4.86838712e-46]
 [ 8.17647779e-10  1.41620750e-09  5.59173522e-46]
 [ 9.91242122e-32  1.71688172e-31  7.10747183e-10]
 [-9.91242122e-32 -1.71688172e-31 -7.10747183e-10]
 [ 1.18949055e-30 -6.86752687e-31  2.05514024e-10]
 [ 3.56847164e-30 -6.86752687e-31 -2.05514024e-10]
 [-2.37898109e-30  1.37350537e-30 -2.05514024e-10]
 [-7.92993697e-31  6.86752687e-31  2.05514024e-10]]
stress =  [ 1.99692779e-11  1.99692779e-11 -2.61096406e-11 -2.68154192e-46
 -5.08435794e-47 -9.15924406e-28]
energy per atom =  -10.59796439104758
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0