element(s):
['Cd', 'S']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.189', '1.6254237', '5.9156625e-05', '0.37694084']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'S']
representative atom coordinates =  [[3.3333333e-01 6.6666667e-01 5.9156625e-05]
 [3.3333333e-01 6.6666667e-01 3.7694084e-01]]
spacegroup =  186
cell =  [[4.189, 0, 0], [-2.0945, 3.627780416453, 0], [0, 0, 6.8089]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:57:40      -11.019383         0.383133
BFGS:    1 12:57:40      -11.025855         0.350146
BFGS:    2 12:57:40      -11.049391         0.156503
BFGS:    3 12:57:40      -11.050776         0.104740
BFGS:    4 12:57:40      -11.051916         0.021722
BFGS:    5 12:57:40      -11.051925         0.020143
BFGS:    6 12:57:40      -11.052013         0.000977
BFGS:    7 12:57:40      -11.052013         0.000088
BFGS:    8 12:57:40      -11.052013         0.000001
BFGS:    9 12:57:40      -11.052013         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.1192977984691767e-09 eV/Angstrom
Maximum stress component: 1.7253922446897563e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'S', 'S']
basis =  [[0.33333333 0.66666667 0.001     ]
 [0.66666666 0.33333334 0.501     ]
 [0.33333333 0.66666667 0.376     ]
 [0.66666666 0.33333334 0.876     ]]
cellpar =  Cell([[4.125967919276606, -2.1100285965534635e-17, 2.8913324720538817e-37], [-2.062983959638303, 3.5731930332931614, -2.4234201703384373e-36], [2.254620575464263e-37, -4.547728864863549e-37, 6.737677401231662]])
forces =  [[-3.05138886e-31  5.87240061e-32 -1.11929780e-09]
 [ 1.90711804e-31 -9.54265098e-32 -1.11929780e-09]
 [ 1.44093363e-31 -1.46810015e-32  1.11929780e-09]
 [-2.54282405e-32  4.40430045e-32  1.11929780e-09]]
stress =  [-5.99624497e-11 -5.99624497e-11  1.72539224e-10  8.53301516e-35
 -1.47796158e-34 -1.17460793e-26]
energy per atom =  -2.7630031856493447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0