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 16:38:19     -123.874539        83.759708
BFGS:    1 16:38:19     -134.415408        57.578867
BFGS:    2 16:38:19     -141.412530        36.513749
BFGS:    3 16:38:19     -145.585427        19.772745
BFGS:    4 16:38:19     -147.519702         6.543749
BFGS:    5 16:38:19     -147.798831         1.090263
BFGS:    6 16:38:19     -147.807461         0.077349
BFGS:    7 16:38:19     -147.807505         0.001016
BFGS:    8 16:38:19     -147.807505         0.000001
BFGS:    9 16:38:19     -147.807505         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.139211355046626e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.40565553e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.27425075e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.153284175028656, -2.659498038585065e-32, -7.567705493770661e-33], [-6.505400300591392e-35, 4.153284175028656, -4.9840698034364324e-18], [2.176930724695859e-32, -4.984069803436468e-18, 4.1532841750286575]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.13921136e-13 -7.13921136e-13 -7.13921136e-13  3.21893677e-29
  2.13821177e-50 -3.60974008e-62]
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