element(s):
['Cs']
AFLOW prototype label:
A_tI2_139_a
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:
['5.404', '1.4448557']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[5.404, 0, 0], [0, 5.404, 0], [0, 0, 7.808]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:18:24       -1.615929        0.0264
BFGS:    1 15:18:24       -1.615950        0.0259
BFGS:    2 15:18:24       -1.616404        0.0032
BFGS:    3 15:18:25       -1.616404        0.0035
BFGS:    4 15:18:25       -1.616405        0.0040
BFGS:    5 15:18:25       -1.616408        0.0048
BFGS:    6 15:18:25       -1.616415        0.0056
BFGS:    7 15:18:25       -1.616431        0.0065
BFGS:    8 15:18:26       -1.616453        0.0057
BFGS:    9 15:18:26       -1.616470        0.0032
BFGS:   10 15:18:26       -1.616478        0.0006
BFGS:   11 15:18:26       -1.616478        0.0001
BFGS:   12 15:18:26       -1.616478        0.0000
BFGS:   13 15:18:26       -1.616478        0.0000
BFGS:   14 15:18:26       -1.616478        0.0000
BFGS:   15 15:18:27       -1.616478        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0362714034658577e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.405362190986352, -3.5541662524661023e-38, -5.713590445539869e-32], [3.5123296596440896e-37, 5.405362190986353, 1.8729481406823484e-18], [-5.8779622076281815e-33, 2.472978503200127e-18, 7.6443365227526145]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.03627140e-12 -1.03627140e-12 -1.41720574e-13  5.04427956e-29
 -1.86438620e-35  5.56031310e-51]
energy per atom =  -0.8082391729825416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.