element(s):
['Mo']
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:
['4.028']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:54     -130.170550        72.332313
BFGS:    1 16:25:54     -139.128846        48.028038
BFGS:    2 16:25:54     -144.826834        28.688498
BFGS:    3 16:25:54     -147.936480        13.376512
BFGS:    4 16:25:54     -148.964789         2.696284
BFGS:    5 16:25:54     -149.014702         0.342753
BFGS:    6 16:25:54     -149.015553         0.010642
BFGS:    7 16:25:54     -149.015553         0.000044
BFGS:    8 16:25:54     -149.015553         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.136805695000079e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.81871262e-34]]
cellpar =  Cell([[4.2358092620651755, -7.191942976486832e-33, -1.0700485765926885e-33], [-1.9028702512675058e-32, 4.2358092620651755, -7.190185879366096e-18], [-2.426500462833389e-33, -7.190185879366091e-18, 4.2358092620651755]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.13680570e-10 -3.13680570e-10 -3.13680570e-10  1.01864125e-26
  5.72488045e-35 -2.21153684e-52]
energy per atom =  -37.253888342003414
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0