element(s):
['Se', 'Zn']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6746']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se', 'Zn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.6746, 0, 0], [0, 5.6746, 0], [0, 0, 5.6746]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:10:42      -23.038392         3.174762
BFGS:    1 19:10:42      -23.465894         3.106310
BFGS:    2 19:10:42      -23.924868         3.009356
BFGS:    3 19:10:42      -24.367427         2.886914
BFGS:    4 19:10:43      -24.789498         2.735574
BFGS:    5 19:10:43      -25.186464         2.551506
BFGS:    6 19:10:43      -25.553442         2.332832
BFGS:    7 19:10:43      -25.884210         2.070006
BFGS:    8 19:10:43      -26.174747         1.802358
BFGS:    9 19:10:43      -26.418701         1.440949
BFGS:   10 19:10:43      -26.604030         1.019489
BFGS:   11 19:10:43      -26.721163         0.530316
BFGS:   12 19:10:43      -26.759667         0.024890
BFGS:   13 19:10:43      -26.759743         0.002204
BFGS:   14 19:10:43      -26.759744         0.000006
BFGS:   15 19:10:43      -26.759744         0.000000
Minimization converged after 15 steps.
Maximum force component: 9.843155717312858e-30 eV/Angstrom
Maximum stress component: 8.513273165997025e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 1.28403166e-34 0.00000000e+00]
 [3.84983691e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.17305981e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.69223924e-33]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.253760948712241, -5.1783891348786836e-33, 1.3088557445265322e-32], [8.227264444730347e-33, 5.253760948712241, 9.430914262223331e-17], [-4.6187418261283876e-33, 9.430914262223332e-17, 5.253760948712241]])
forces =  [[ 4.31717356e-32  8.63434712e-32  8.63434712e-32]
 [-6.47576034e-32  8.63434712e-32  8.63434712e-32]
 [-1.92142207e-64 -8.63434712e-32  6.47576034e-32]
 [ 8.63434712e-32  4.31717356e-32  8.63434712e-32]
 [ 4.31717356e-31  2.07224331e-30  3.71546750e-30]
 [ 8.95813514e-31 -2.69283701e-30  7.99756402e-30]
 [-8.63434712e-32  6.90747770e-31 -9.84315572e-30]
 [ 9.49778183e-31 -3.44159680e-30 -8.80703406e-30]]
stress =  [-8.51327317e-11 -8.51327317e-11 -8.51327317e-11  1.35313049e-27
  1.40109476e-59 -1.33254163e-59]
energy per atom =  -3.344967941144763
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0