element(s):
['Ca']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5236']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.5236, 0, 0], [0, 5.5236, 0], [0, 0, 5.5236]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:12       -3.084787         1.106187
BFGS:    1 16:15:12       -3.137428         1.114430
BFGS:    2 16:15:12       -3.306182         1.133759
BFGS:    3 16:15:12       -3.476899         1.139923
BFGS:    4 16:15:12       -3.647662         1.131734
BFGS:    5 16:15:12       -3.815134         1.096702
BFGS:    6 16:15:12       -3.975113         1.030411
BFGS:    7 16:15:12       -4.122466         0.926715
BFGS:    8 16:15:12       -4.250221         0.766624
BFGS:    9 16:15:12       -4.349014         0.537609
BFGS:   10 16:15:12       -4.407992         0.230665
BFGS:   11 16:15:12       -4.417077         0.081287
BFGS:   12 16:15:12       -4.418156         0.006927
BFGS:   13 16:15:12       -4.418164         0.000185
BFGS:   14 16:15:12       -4.418164         0.000000
BFGS:   15 16:15:12       -4.418164         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.552320637734916e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.36550578e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.840916049943967, 1.172455965054873e-32, -1.0913069844390182e-33], [1.3021413339657773e-32, 4.840916049943969, -2.0211100509754736e-17], [4.735281616558939e-34, -2.0211100509754748e-17, 4.840916049943969]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.55232064e-13  8.55232064e-13  8.55232064e-13 -1.56554490e-29
 -1.91761831e-35  2.22754592e-52]
energy per atom =  -1.10454108248048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0