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 19:10:42      -21.986900         3.399782
BFGS:    1 19:10:42      -22.480504         3.373140
BFGS:    2 19:10:42      -22.983398         3.329120
BFGS:    3 19:10:42      -23.478279         3.265872
BFGS:    4 19:10:42      -23.962063         3.180683
BFGS:    5 19:10:42      -24.431235         3.070498
BFGS:    6 19:10:42      -24.881792         2.931882
BFGS:    7 19:10:42      -25.309185         2.760973
BFGS:    8 19:10:42      -25.708253         2.553428
BFGS:    9 19:10:42      -26.073139         2.304362
BFGS:   10 19:10:42      -26.397212         2.008280
BFGS:   11 19:10:42      -26.672964         1.659000
BFGS:   12 19:10:43      -26.891906         1.249568
BFGS:   13 19:10:43      -27.046450         0.792930
BFGS:   14 19:10:43      -27.124919         0.239739
BFGS:   15 19:10:43      -27.131947         0.026291
BFGS:   16 19:10:43      -27.132029         0.000748
BFGS:   17 19:10:43      -27.132029         0.000002
BFGS:   18 19:10:43      -27.132029         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.767881497922521e-30 eV/Angstrom
Maximum stress component: 8.030385055515493e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[5.588087792973793, -1.0100248070035866e-32, -7.800882792564687e-33], [6.614021811122498e-35, 5.588087792973793, -4.7809289594122145e-17], [9.707716350784282e-33, -4.780928959412217e-17, 5.588087792973793]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.99428071e-65  9.82158319e-50 -1.14797500e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.98856141e-65  1.96431664e-49 -2.29595000e-32]
 [ 2.29595000e-31 -9.64298999e-31 -1.20537375e-31]
 [-4.35871757e-31 -5.07620195e-32 -1.15120368e-30]
 [ 3.51567343e-31 -3.90311500e-31  3.67352000e-31]
 [-4.36230499e-31  1.26277250e-31  1.76788150e-30]]
stress =  [-8.03038506e-12 -8.03038506e-12 -8.03038506e-12  8.72855673e-28
 -5.26299255e-34  1.65757019e-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