element(s):
['Re']
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:
['3.9274']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Re']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.9274, 0, 0], [0, 3.9274, 0], [0, 0, 3.9274]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:38     -123.874539       83.7597
BFGS:    1 17:14:38     -134.415408       57.5789
BFGS:    2 17:14:38     -141.412530       36.5137
BFGS:    3 17:14:38     -145.585427       19.7727
BFGS:    4 17:14:38     -147.519702        6.5437
BFGS:    5 17:14:38     -147.798831        1.0903
BFGS:    6 17:14:38     -147.807461        0.0773
BFGS:    7 17:14:38     -147.807505        0.0010
BFGS:    8 17:14:38     -147.807505        0.0000
BFGS:    9 17:14:38     -147.807505        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.206156855247408e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.94231363e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.27425075e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.85485015e-34]]
cellpar =  Cell([[4.153284175028656, 2.919112815297806e-32, 2.5696237353427255e-32], [8.021190977313715e-33, 4.153284175028656, 1.1425124548252183e-17], [-1.29697590136418e-33, 1.1425124548252197e-17, 4.153284175028657]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.20615686e-13 -7.20615686e-13 -7.20615686e-13 -3.27895075e-28
 -3.33460154e-33 -1.36084917e-48]
energy per atom =  -36.951876221730544
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0