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 11:18:16     -119.956780        9.6781
BFGS:    1 11:18:16     -122.369991        9.5288
BFGS:    2 11:18:16     -124.675097        5.3631
BFGS:    3 11:18:16     -125.003712       11.7298
BFGS:    4 11:18:16     -125.948228        3.6174
BFGS:    5 11:18:16     -126.382444        3.0439
BFGS:    6 11:18:16     -126.679689        2.3983
BFGS:    7 11:18:16     -126.892535        1.6809
BFGS:    8 11:18:16     -127.024954        0.9326
BFGS:    9 11:18:16     -127.080875        0.8819
BFGS:   10 11:18:16     -127.101629        1.0216
BFGS:   11 11:18:16     -127.124902        0.9182
BFGS:   12 11:18:16     -127.157760        0.5842
BFGS:   13 11:18:16     -127.173753        0.3198
BFGS:   14 11:18:16     -127.175449        0.1353
BFGS:   15 11:18:16     -127.175554        0.0473
BFGS:   16 11:18:16     -127.175573        0.0013
BFGS:   17 11:18:16     -127.175573        0.0002
BFGS:   18 11:18:16     -127.175573        0.0000
BFGS:   19 11:18:16     -127.175573        0.0000
BFGS:   20 11:18:16     -127.175573        0.0000
BFGS:   21 11:18:16     -127.175573        0.0000
Minimization converged after 21 steps.
Maximum force component: 1.6352178352589113e-09 eV/Angstrom
Maximum stress component: 2.6105736650240823e-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 4.12959370e-33 0.00000000e+00]
 [1.00000000e+00 3.79503613e-01 0.00000000e+00]
 [6.20496387e-01 6.20496387e-01 0.00000000e+00]
 [7.12961501e-01 0.00000000e+00 5.00000000e-01]
 [1.00000000e+00 7.12961501e-01 5.00000000e-01]
 [2.87038499e-01 2.87038499e-01 5.00000000e-01]
 [0.00000000e+00 1.38512418e-35 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([[6.031433619082208, 2.0993246090314906e-17, -3.27831990942233e-36], [-3.015716809541104, 5.223374735364707, -2.764800920273745e-36], [3.9609001326733756e-36, 8.43078867039024e-37, 4.480095243365201]])
forces =  [[ 9.22995212e-10  3.21055333e-27 -5.01683973e-46]
 [-4.61497606e-10  7.99337301e-10 -4.23099743e-46]
 [-4.61497606e-10 -7.99337301e-10  9.24783716e-46]
 [-1.63521784e-09 -5.69435080e-27 -2.94514332e-31]
 [ 8.17608918e-10 -1.41614019e-09 -1.17805733e-30]
 [ 8.17608918e-10  1.41614019e-09 -1.76708599e-30]
 [ 7.92993697e-31 -3.43376344e-31  7.10566333e-10]
 [-1.98248424e-31 -1.34406711e-46 -7.10566333e-10]
 [-7.92993697e-31  3.59143945e-47  2.05515211e-10]
 [-7.92993697e-31 -4.14346448e-47 -2.05515211e-10]
 [-1.81698197e-46 -3.86745196e-47 -2.05515211e-10]
 [ 7.18650538e-31 -5.57986558e-31  2.05515211e-10]]
stress =  [ 1.99734146e-11  1.99734146e-11 -2.61057367e-11 -1.40459384e-33
  2.43282790e-33  5.57534748e-27]
energy per atom =  -10.597964391047581
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0