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 15:56:07      -11.701032        2.3149
BFGS:    1 15:56:07      -11.792455        1.8963
BFGS:    2 15:56:07      -11.895644        1.3113
BFGS:    3 15:56:07      -11.960562        0.7847
BFGS:    4 15:56:07      -11.991739        0.3191
BFGS:    5 15:56:07      -11.996634        0.1048
BFGS:    6 15:56:07      -11.997197        0.1183
BFGS:    7 15:56:07      -11.999647        0.1506
BFGS:    8 15:56:07      -12.003655        0.1690
BFGS:    9 15:56:07      -12.010413        0.1781
BFGS:   10 15:56:07      -12.017129        0.1681
BFGS:   11 15:56:07      -12.022220        0.1127
BFGS:   12 15:56:07      -12.024115        0.0246
BFGS:   13 15:56:07      -12.024272        0.0176
BFGS:   14 15:56:07      -12.024301        0.0029
BFGS:   15 15:56:07      -12.024302        0.0001
BFGS:   16 15:56:07      -12.024302        0.0000
BFGS:   17 15:56:07      -12.024302        0.0000
BFGS:   18 15:56:07      -12.024302        0.0000
Minimization converged after 18 steps.
Maximum force component: 1.7196931484935024e-30 eV/Angstrom
Maximum stress component: 4.537922059534384e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn']
basis =  [[5.00000000e-01 4.22370582e-34 1.36114372e-32]
 [1.00000000e+00 5.00000000e-01 3.33333333e-01]
 [5.00000000e-01 5.00000000e-01 6.66666667e-01]
 [5.00000000e-01 2.95641799e-33 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 8.33333333e-01]
 [5.00000000e-01 5.00000000e-01 1.66666667e-01]]
cellpar =  Cell([[4.212172790724437, 2.056049280859127e-17, 4.4263885969096066e-37], [-2.1060863953622184, 3.647848641896957, 6.737185795069663e-37], [-1.1662226019271796e-37, 1.284676769965723e-36, 10.463856249101577]])
forces =  [[-3.45564873e-48  1.19901883e-31 -1.71969315e-30]
 [ 3.46126921e-32 -1.19901883e-31 -2.57818905e-68]
 [-1.03838076e-31  5.99509413e-32 -1.03181589e-30]
 [ 3.46126921e-32 -5.99509413e-32 -1.37575452e-30]
 [ 6.92253842e-32  3.37903520e-49 -1.71969315e-31]
 [ 9.51849032e-32 -4.49632060e-32  1.71969315e-30]]
stress =  [-2.14164948e-11 -2.14164948e-11 -4.53792206e-11  6.88891148e-33
 -3.26808169e-47 -1.38874399e-27]
energy per atom =  -2.00405037054293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0