element(s):
['Cd', 'Te']
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:
['4.6643', '1.6375662', '6.1292041e-05', '0.37493871']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.33333333 0.66666667 0.50006129]
 [0.33333333 0.66666667 0.87493871]]
spacegroup =  186
cell =  [[4.6643, 0, 0], [-2.33215, 4.0394022908718, 0], [0, 0, 7.6381]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:43:10       -5.814456        1.9255
BFGS:    1 15:43:10       -5.969011        1.9234
BFGS:    2 15:43:10       -6.247633        1.8968
BFGS:    3 15:43:10       -6.518644        1.8275
BFGS:    4 15:43:10       -6.775424        1.7074
BFGS:    5 15:43:10       -7.009545        1.5172
BFGS:    6 15:43:10       -7.211766        1.2472
BFGS:    7 15:43:10       -7.366798        0.8612
BFGS:    8 15:43:10       -7.455229        0.3376
BFGS:    9 15:43:10       -7.466685        0.0970
BFGS:   10 15:43:10       -7.467444        0.0299
BFGS:   11 15:43:10       -7.467471        0.0334
BFGS:   12 15:43:10       -7.467890        0.0465
BFGS:   13 15:43:10       -7.469887        0.1029
BFGS:   14 15:43:10       -7.477839        0.1904
BFGS:   15 15:43:10       -7.509586        0.3908
BFGS:   16 15:43:10       -7.560292        0.5596
BFGS:   17 15:43:11       -7.631235        0.7454
BFGS:   18 15:43:11       -7.721086        0.9199
BFGS:   19 15:43:11       -7.831458        1.1499
BFGS:   20 15:43:11       -7.960001        1.3106
BFGS:   21 15:43:11       -8.111773        1.4945
BFGS:   22 15:43:11       -8.283543        1.6729
BFGS:   23 15:43:11       -8.477056        1.8501
BFGS:   24 15:43:11       -8.692147        2.0167
BFGS:   25 15:43:11       -8.928961        2.1700
BFGS:   26 15:43:11       -9.185943        2.2792
BFGS:   27 15:43:11       -9.461179        2.3497
BFGS:   28 15:43:11       -9.746228        2.2773
BFGS:   29 15:43:11      -10.035113        2.0420
BFGS:   30 15:43:11      -10.309772        1.5190
BFGS:   31 15:43:11      -10.529849        0.8850
BFGS:   32 15:43:11      -10.567712        1.6255
BFGS:   33 15:43:11      -10.599264        0.2173
BFGS:   34 15:43:11      -10.600641        0.0887
BFGS:   35 15:43:11      -10.601235        0.0276
BFGS:   36 15:43:11      -10.601280        0.0014
BFGS:   37 15:43:11      -10.601280        0.0005
BFGS:   38 15:43:11      -10.601280        0.0001
BFGS:   39 15:43:11      -10.601280        0.0000
BFGS:   40 15:43:11      -10.601280        0.0000
Minimization converged after 40 steps.
Maximum force component: 7.573490069128809e-10 eV/Angstrom
Maximum stress component: 1.5714984719609455e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Te', 'Te']
basis =  [[0.33333333 0.66666667 0.4375    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.9375    ]
 [0.66666666 0.33333334 0.4375    ]]
cellpar =  Cell([[4.419360766088697, -2.890348552277949e-17, 3.04120976675455e-36], [-2.2096803830443483, 3.82727869192107, 3.1684904780500474e-36], [-2.344216917238524e-35, -6.262569075540422e-35, 5.131322076348039]])
forces =  [[ 1.30734785e-30 -2.51599211e-31  7.57348856e-10]
 [-1.30734785e-30  2.51599211e-31  7.57348856e-10]
 [ 2.90521745e-31 -5.03198422e-31 -7.57349007e-10]
 [-1.01682611e-30 -2.51599211e-31 -7.57349007e-10]]
stress =  [ 1.57149847e-10  1.57149847e-10  3.02660717e-11  2.09208749e-34
 -1.08708055e-33 -4.04487456e-26]
energy per atom =  -2.650320123037501
===============================================
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.