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:
EAM_Dynamo_SetyawanGaoKurtz_2018_ReW__MO_680820064987_000
==== 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 15:07:21      -16.048346        0.5387
BFGS:    1 15:07:21      -16.057070        0.2575
BFGS:    2 15:07:21      -16.059692        0.0350
BFGS:    3 15:07:21      -16.059710        0.0124
BFGS:    4 15:07:21      -16.059714        0.0083
BFGS:    5 15:07:21      -16.059723        0.0028
BFGS:    6 15:07:21      -16.059723        0.0006
BFGS:    7 15:07:21      -16.059723        0.0000
BFGS:    8 15:07:21      -16.059723        0.0000
BFGS:    9 15:07:21      -16.059723        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.276272698153096e-32 eV/Angstrom
Maximum stress component: 5.825990701254404e-10 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([[2.761161133855871, -2.1029419535306177e-18, 7.112199139139891e-36], [-1.3805805669279354, 2.3912356858614285, -1.4771604475362729e-35], [-1.3853083981568855e-36, -2.281754184960027e-36, 4.477006243004013]])
forces =  [[-1.27627270e-32  1.22809398e-32 -9.04749715e-68]
 [ 1.27627270e-32 -1.22809398e-32  9.04749715e-68]]
stress =  [-5.82599070e-10 -5.82599070e-10 -2.63795203e-10  3.45407395e-33
 -6.64736841e-34  1.56524083e-26]
energy per atom =  -8.029861478142063
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0