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 16:48:56       -3.084787        1.1062
BFGS:    1 16:48:56       -3.137428        1.1144
BFGS:    2 16:48:56       -3.306182        1.1338
BFGS:    3 16:48:56       -3.476899        1.1399
BFGS:    4 16:48:56       -3.647662        1.1317
BFGS:    5 16:48:56       -3.815134        1.0967
BFGS:    6 16:48:56       -3.975113        1.0304
BFGS:    7 16:48:56       -4.122466        0.9267
BFGS:    8 16:48:56       -4.250221        0.7666
BFGS:    9 16:48:56       -4.349014        0.5376
BFGS:   10 16:48:56       -4.407992        0.2307
BFGS:   11 16:48:56       -4.417077        0.0813
BFGS:   12 16:48:57       -4.418156        0.0069
BFGS:   13 16:48:57       -4.418164        0.0002
BFGS:   14 16:48:57       -4.418164        0.0000
BFGS:   15 16:48:57       -4.418164        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.551106194556018e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.41342622e-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]]
cellpar =  Cell([[4.840916049943967, 8.536920320224605e-33, 4.946685749484546e-34], [9.631157756398826e-33, 4.840916049943968, -1.3186775352712485e-17], [-7.681549365664079e-34, -1.3186775352712485e-17, 4.840916049943967]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.55110619e-13  8.55110619e-13  8.55110619e-13  4.94810317e-30
  2.36108011e-62 -1.80864501e-61]
energy per atom =  -1.1045410824804796
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0