element(s):
['Cs', 'I']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.8526']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'I']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.8526, 0, 0], [0, 7.8526, 0], [0, 0, 7.8526]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:29:31      -31.402737        3.8766
BFGS:    1 14:29:31      -31.972980        3.7210
BFGS:    2 14:29:31      -32.517564        3.5341
BFGS:    3 14:29:31      -33.030777        3.3014
BFGS:    4 14:29:31      -33.505683        3.0224
BFGS:    5 14:29:31      -33.934892        2.6911
BFGS:    6 14:29:31      -34.310828        2.3205
BFGS:    7 14:29:31      -34.625592        1.8646
BFGS:    8 14:29:31      -34.866474        1.3339
BFGS:    9 14:29:31      -35.021624        0.7241
BFGS:   10 14:29:31      -35.078283        0.0146
BFGS:   11 14:29:31      -35.078304        0.0011
BFGS:   12 14:29:31      -35.078304        0.0000
BFGS:   13 14:29:31      -35.078304        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.674532532268655e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs', 'I', 'I', 'I', 'I']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.71818793e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.85909397e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[7.360873396190041, -2.671660721214411e-32, -6.81013641651034e-33], [-2.6387031355948697e-32, 7.360873396190041, -1.650289944132992e-17], [-1.034865839888268e-32, -1.6502899441329907e-17, 7.360873396190041]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.67453253e-12  2.67453253e-12  2.67453253e-12 -3.12323807e-28
 -1.89574761e-35  1.11796932e-51]
energy per atom =  -4.384788036094951
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0