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 17:05:18     -130.170550       72.3323
BFGS:    1 17:05:18     -139.128846       48.0280
BFGS:    2 17:05:18     -144.826834       28.6885
BFGS:    3 17:05:18     -147.936480       13.3765
BFGS:    4 17:05:18     -148.964789        2.6963
BFGS:    5 17:05:18     -149.014702        0.3428
BFGS:    6 17:05:18     -149.015553        0.0106
BFGS:    7 17:05:18     -149.015553        0.0000
BFGS:    8 17:05:18     -149.015553        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1368056950000794e-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 2.27339078e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.2358092620651755, 1.953334672751869e-32, -2.2370564972366185e-32], [1.6366039904941688e-32, 4.2358092620651755, 1.2091576024825771e-18], [1.5002763375073171e-33, 1.2091576024825496e-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  7.30563462e-26
 -8.58732068e-34  5.35273077e-50]
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