element(s):
['Re']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7819', '1.6197922']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Re']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7819, 0, 0], [-1.39095, 2.4091960707879, 0], [0, 0, 4.5061]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:07:14      -61.398391       92.0380
BFGS:    1 15:07:14      -70.100132       43.3506
BFGS:    2 15:07:14      -73.359989       13.9057
BFGS:    3 15:07:14      -73.864428        5.7858
BFGS:    4 15:07:14      -73.809780        5.9482
BFGS:    5 15:07:14      -73.922618        0.4191
BFGS:    6 15:07:14      -73.922992        0.0347
BFGS:    7 15:07:14      -73.922994        0.0004
BFGS:    8 15:07:14      -73.922994        0.0000
BFGS:    9 15:07:14      -73.922994        0.0000
Minimization converged after 9 steps.
Maximum force component: 7.240599876263811e-31 eV/Angstrom
Maximum stress component: 5.7372412900486445e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.9371362493306443, -3.1026223216117315e-17, -2.58386174891467e-36], [-1.4685681246653222, 2.5436346062964814, -5.002605742366619e-36], [-4.543958375857857e-36, -3.967964610852894e-34, 4.796419088041956]])
forces =  [[ 7.24059988e-31 -2.50821737e-31  3.94136198e-32]
 [-7.24059988e-31  2.50821737e-31 -3.94136198e-32]]
stress =  [ 1.03032626e-11  1.03032626e-11  5.73724129e-11  5.38824507e-33
 -6.92179035e-45 -1.39898286e-27]
energy per atom =  -36.96149709502949
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0