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 15:08:09      -61.398391        92.037987
BFGS:    1 15:08:09      -70.100132        43.350598
BFGS:    2 15:08:09      -73.359989        13.905742
BFGS:    3 15:08:09      -73.864428         5.785780
BFGS:    4 15:08:09      -73.809780         5.948162
BFGS:    5 15:08:09      -73.922618         0.419079
BFGS:    6 15:08:09      -73.922992         0.034690
BFGS:    7 15:08:09      -73.922994         0.000404
BFGS:    8 15:08:09      -73.922994         0.000015
BFGS:    9 15:08:09      -73.922994         0.000000
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, -2.5554556538087713e-17, -1.2740918827031952e-35], [-1.4685681246653222, 2.5436346062964814, 1.6046768939588104e-35], [-1.018057604710065e-35, -6.724003476842703e-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  9.42942887e-33
 -2.33317855e-33 -1.53720699e-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