element(s):
['Te', '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:
['6.1392']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te', 'Zn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.1392, 0, 0], [0, 6.1392, 0], [0, 0, 6.1392]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:18:00      -21.986900        3.3998
BFGS:    1 14:18:00      -22.480504        3.3731
BFGS:    2 14:18:00      -22.983398        3.3291
BFGS:    3 14:18:00      -23.478279        3.2659
BFGS:    4 14:18:00      -23.962063        3.1807
BFGS:    5 14:18:00      -24.431235        3.0705
BFGS:    6 14:18:00      -24.881792        2.9319
BFGS:    7 14:18:01      -25.309185        2.7610
BFGS:    8 14:18:01      -25.708253        2.5534
BFGS:    9 14:18:01      -26.073139        2.3044
BFGS:   10 14:18:01      -26.397212        2.0083
BFGS:   11 14:18:01      -26.672964        1.6590
BFGS:   12 14:18:01      -26.891906        1.2496
BFGS:   13 14:18:01      -27.046450        0.7929
BFGS:   14 14:18:01      -27.124919        0.2397
BFGS:   15 14:18:01      -27.131947        0.0263
BFGS:   16 14:18:01      -27.132029        0.0007
BFGS:   17 14:18:01      -27.132029        0.0000
BFGS:   18 14:18:01      -27.132029        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.0216977487993791e-30 eV/Angstrom
Maximum stress component: 8.030079623887617e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[1.27722733e-34 5.13581319e-34 2.56790659e-34]
 [5.13788824e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.20575483e-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([[5.588087792973794, -1.4531907283096325e-32, -9.589124074278341e-33], [1.5116251779969708e-32, 5.588087792973794, -3.032866497311625e-17], [3.2924431887140985e-33, -3.0328664973116266e-17, 5.588087792973794]])
forces =  [[-2.29595000e-32 -2.29595000e-32 -2.00895625e-32]
 [ 2.29595000e-32  2.29595000e-32  2.29595000e-32]
 [ 2.43496259e-32  2.29595000e-32 -2.29595000e-32]
 [-2.29595000e-32 -2.29595000e-32  2.43944687e-32]
 [-2.29595000e-32 -1.49236750e-31  1.02169775e-30]
 [ 2.30671226e-31  2.83809913e-31 -7.21071796e-32]
 [-2.92733625e-31 -5.62507749e-31 -6.88784999e-31]
 [-1.37757000e-31 -5.73987499e-33  5.51027999e-31]]
stress =  [-8.03007962e-12 -8.03007962e-12 -8.03007962e-12 -1.58284845e-28
  1.31574814e-34  1.75645252e-50]
energy per atom =  -3.391503623126312
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0