element(s):
['Te', 'Zn']
AFLOW prototype label:
AB_hP6_181_c_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.307', '2.2723009']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te', 'Zn']
representative atom coordinates =  [[0.5 0.  0. ]
 [0.5 0.  0.5]]
spacegroup =  181
cell =  [[4.307, 0, 0], [-2.1535, 3.7299714140996, 0], [0, 0, 9.7868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:12:27      -11.701032         2.314859
BFGS:    1 13:12:27      -11.792455         1.896320
BFGS:    2 13:12:27      -11.895644         1.311271
BFGS:    3 13:12:27      -11.960562         0.784654
BFGS:    4 13:12:27      -11.991739         0.319072
BFGS:    5 13:12:27      -11.996634         0.104819
BFGS:    6 13:12:27      -11.997197         0.118310
BFGS:    7 13:12:27      -11.999647         0.150562
BFGS:    8 13:12:27      -12.003655         0.168955
BFGS:    9 13:12:27      -12.010413         0.178096
BFGS:   10 13:12:27      -12.017129         0.168118
BFGS:   11 13:12:27      -12.022220         0.112709
BFGS:   12 13:12:27      -12.024115         0.024597
BFGS:   13 13:12:27      -12.024272         0.017598
BFGS:   14 13:12:27      -12.024301         0.002931
BFGS:   15 13:12:27      -12.024302         0.000068
BFGS:   16 13:12:27      -12.024302         0.000003
BFGS:   17 13:12:27      -12.024302         0.000000
BFGS:   18 13:12:27      -12.024302         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.8787725939740125e-31 eV/Angstrom
Maximum stress component: 4.537859705691138e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn']
basis =  [[5.00000000e-01 1.05592646e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.33333333e-01]
 [5.00000000e-01 5.00000000e-01 6.66666667e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 8.33333333e-01]
 [5.00000000e-01 5.00000000e-01 1.66666667e-01]]
cellpar =  Cell([[4.212172790724437, -7.664885428434525e-18, 6.60337913082203e-38], [-2.1060863953622184, 3.6478486418969562, -1.8352466616199744e-37], [6.000884899645408e-37, -8.131839583695796e-36, 10.463856249101582]])
forces =  [[-9.86221561e-69  1.33643549e-67 -1.71969315e-31]
 [ 3.20522007e-68 -4.34341533e-67  5.58900273e-31]
 [-2.07676153e-31  1.19901883e-31  6.87877259e-31]
 [ 2.76901537e-31 -5.03877371e-49  8.59846574e-32]
 [-6.92253842e-32  1.19901883e-31 -3.43938630e-31]
 [ 1.73063460e-31 -5.99509413e-32 -6.44884931e-31]]
stress =  [-2.14162534e-11 -2.14162534e-11 -4.53785971e-11  5.16668361e-33
 -2.98298617e-33  1.03222543e-27]
energy per atom =  -2.0040503705429296
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0