element(s):
['Te', 'Zn']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7184']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7184, 0, 0], [0, 5.7184, 0], [0, 0, 5.7184]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:14:52      -29.669016         6.039038
BFGS:    1 11:14:52      -30.586025         6.187364
BFGS:    2 11:14:52      -31.526483         6.343589
BFGS:    3 11:14:52      -32.488725         6.485541
BFGS:    4 11:14:52      -33.472728         6.639472
BFGS:    5 11:14:52      -34.478542         6.770117
BFGS:    6 11:14:52      -35.503339         6.892265
BFGS:    7 11:14:52      -36.546008         7.006360
BFGS:    8 11:14:52      -37.604565         7.105395
BFGS:    9 11:14:52      -38.676861         7.189101
BFGS:   10 11:14:52      -39.760381         7.254523
BFGS:   11 11:14:52      -40.852136         7.298293
BFGS:   12 11:14:52      -41.948596         7.316572
BFGS:   13 11:14:52      -43.046610         7.372351
BFGS:   14 11:14:52      -44.149695         7.329227
BFGS:   15 11:14:52      -45.243364         7.245792
BFGS:   16 11:14:52      -46.321098         7.115620
BFGS:   17 11:14:52      -47.377620         6.950645
BFGS:   18 11:14:52      -48.402631         6.705041
BFGS:   19 11:14:52      -49.385547         6.387691
BFGS:   20 11:14:52      -50.314877         5.988728
BFGS:   21 11:14:52      -51.177366         5.494247
BFGS:   22 11:14:52      -51.957725         4.891195
BFGS:   23 11:14:53      -52.639327         4.173024
BFGS:   24 11:14:53      -53.201988         3.303789
BFGS:   25 11:14:53      -53.622333         2.271842
BFGS:   26 11:14:53      -53.874248         1.053939
BFGS:   27 11:14:53      -53.933413         0.170398
BFGS:   28 11:14:53      -53.934855         0.010221
BFGS:   29 11:14:53      -53.934860         0.000091
BFGS:   30 11:14:53      -53.934860         0.000000
BFGS:   31 11:14:53      -53.934860         0.000000
Minimization converged after 31 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3817722530578216e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.74704791e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.23530035e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.74704791e-49 2.87352395e-49]
 [0.00000000e+00 5.00000000e-01 2.02206272e-34]
 [5.74704791e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.762290320568412, -4.176615048749825e-32, -2.314881240316147e-32], [-1.1110162119642554e-32, 4.762290320568412, 3.089803621264874e-18], [2.3082501982814286e-32, 3.0898036212648436e-18, 4.762290320568412]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.38177225e-14  1.38177225e-14  1.38177225e-14  3.02171571e-33
 -1.35871614e-33 -1.63037687e-51]
energy per atom =  -6.741857486093897
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0