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 15:05:01       -3.084787         1.106187
BFGS:    1 15:05:01       -3.137428         1.114430
BFGS:    2 15:05:01       -3.306182         1.133759
BFGS:    3 15:05:01       -3.476899         1.139923
BFGS:    4 15:05:01       -3.647662         1.131734
BFGS:    5 15:05:01       -3.815134         1.096702
BFGS:    6 15:05:01       -3.975113         1.030411
BFGS:    7 15:05:01       -4.122466         0.926715
BFGS:    8 15:05:01       -4.250221         0.766624
BFGS:    9 15:05:01       -4.349014         0.537609
BFGS:   10 15:05:01       -4.407992         0.230665
BFGS:   11 15:05:01       -4.417077         0.081287
BFGS:   12 15:05:01       -4.418156         0.006927
BFGS:   13 15:05:01       -4.418164         0.000185
BFGS:   14 15:05:01       -4.418164         0.000000
BFGS:   15 15:05:01       -4.418164         0.000000
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