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 14:18:00      -23.038392        3.1748
BFGS:    1 14:18:00      -23.465894        3.1063
BFGS:    2 14:18:00      -23.924868        3.0094
BFGS:    3 14:18:00      -24.367427        2.8869
BFGS:    4 14:18:00      -24.789498        2.7356
BFGS:    5 14:18:00      -25.186464        2.5515
BFGS:    6 14:18:00      -25.553442        2.3328
BFGS:    7 14:18:00      -25.884210        2.0700
BFGS:    8 14:18:00      -26.174747        1.8024
BFGS:    9 14:18:00      -26.418701        1.4409
BFGS:   10 14:18:00      -26.604030        1.0195
BFGS:   11 14:18:00      -26.721163        0.5303
BFGS:   12 14:18:00      -26.759667        0.0249
BFGS:   13 14:18:00      -26.759743        0.0022
BFGS:   14 14:18:00      -26.759744        0.0000
BFGS:   15 14:18:01      -26.759744        0.0000
Minimization converged after 15 steps.
Maximum force component: 9.843155717312858e-30 eV/Angstrom
Maximum stress component: 8.513289931676095e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[3.84748729e-34 2.56798496e-34 3.85193826e-34]
 [2.57627839e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.79794858e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.79794858e-34]
 [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, -2.380772186284291e-32, 1.4569285983210322e-32], [2.3178197655793374e-32, 5.253760948712241, 1.4874368473190567e-17], [-8.987543411991856e-33, 1.4874368473190598e-17, 5.253760948712241]])
forces =  [[-8.63434712e-32 -4.31717356e-32 -1.22227164e-49]
 [-1.72686942e-31  1.72686942e-31 -1.72686942e-31]
 [-2.59030414e-31 -1.29515207e-31 -8.63434712e-32]
 [ 9.71751261e-64  8.63434712e-32 -3.45373885e-31]
 [-4.48986050e-30  4.05814315e-30 -2.13700091e-30]
 [ 3.89017811e-30  1.40847787e-30 -1.32753087e-30]
 [-1.24118740e-30  4.83523439e-30  9.84315572e-30]
 [ 4.48986050e-30 -1.60814715e-30 -5.87135604e-30]]
stress =  [-8.51328993e-11 -8.51328993e-11 -8.51328993e-11 -2.16780151e-26
  4.76330693e-33 -3.77916626e-51]
energy per atom =  -3.344967941144762
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0