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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_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 15:41:26       -5.394499        1.6619
BFGS:    1 15:41:26       -5.508710        1.6452
BFGS:    2 15:41:26       -5.743074        1.5829
BFGS:    3 15:41:26       -5.964381        1.4783
BFGS:    4 15:41:26       -6.164886        1.3129
BFGS:    5 15:41:26       -6.335157        1.0761
BFGS:    6 15:41:26       -6.464878        0.8105
BFGS:    7 15:41:26       -6.540233        0.3816
BFGS:    8 15:41:26       -6.551821        0.1365
BFGS:    9 15:41:26       -6.552891        0.1122
BFGS:   10 15:41:26       -6.553454        0.1376
BFGS:   11 15:41:26       -6.568957        0.6252
BFGS:   12 15:41:26       -6.579936        1.0433
BFGS:   13 15:41:26       -6.596098        1.0594
BFGS:   14 15:41:26       -6.651857        0.7884
BFGS:   15 15:41:26       -6.707547        0.7342
BFGS:   16 15:41:26       -6.782874        0.8884
BFGS:   17 15:41:26       -6.870130        1.0115
BFGS:   18 15:41:26       -6.972739        1.1515
BFGS:   19 15:41:26       -7.090875        1.3029
BFGS:   20 15:41:26       -7.225021        1.4460
BFGS:   21 15:41:26       -7.376937        1.5969
BFGS:   22 15:41:26       -7.546358        1.7428
BFGS:   23 15:41:26       -7.733610        1.8773
BFGS:   24 15:41:26       -7.937712        1.9839
BFGS:   25 15:41:27       -8.156550        2.0441
BFGS:   26 15:41:27       -8.383501        1.9940
BFGS:   27 15:41:27       -8.610595        1.7860
BFGS:   28 15:41:27       -8.819260        1.3015
BFGS:   29 15:41:27       -8.972884        0.5930
BFGS:   30 15:41:27       -8.992017        0.9810
BFGS:   31 15:41:27       -9.006471        0.1336
BFGS:   32 15:41:27       -9.007590        0.0874
BFGS:   33 15:41:27       -9.007939        0.0141
BFGS:   34 15:41:27       -9.007948        0.0020
BFGS:   35 15:41:27       -9.007948        0.0001
BFGS:   36 15:41:27       -9.007948        0.0000
BFGS:   37 15:41:27       -9.007948        0.0000
Minimization converged after 37 steps.
Maximum force component: 1.1461823538296972e-08 eV/Angstrom
Maximum stress component: 2.750554667429645e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'S', 'S']
basis =  [[0.33333333 0.66666667 0.9385    ]
 [0.66666666 0.33333334 0.4385    ]
 [0.33333333 0.66666667 0.4385    ]
 [0.66666666 0.33333334 0.9385    ]]
cellpar =  Cell([[4.024769277152787, 5.773320858559152e-17, 1.1882096428325215e-35], [-2.0123846385763935, 3.4855524383854446, 9.948205434028212e-36], [2.539583959851599e-35, 2.1250572394213753e-35, 4.665558081139479]])
forces =  [[ 1.58749157e-30 -9.16538684e-31 -1.14618235e-08]
 [-1.58749157e-30  9.16538684e-31 -1.14618235e-08]
 [ 2.64581928e-31 -4.58269342e-31  1.14618222e-08]
 [-1.05832771e-30  5.21908524e-44  1.14618222e-08]]
stress =  [-2.75055467e-10 -2.75055467e-10  2.26373977e-10  1.26326362e-34
 -2.18803677e-34  1.58933116e-25]
energy per atom =  -2.2519870623243134
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.