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:
EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_000
==== 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 17:14:43      -32.009701        0.8019
BFGS:    1 17:14:43      -32.032276        0.5111
BFGS:    2 17:14:43      -32.047484        0.0096
BFGS:    3 17:14:43      -32.047489        0.0001
BFGS:    4 17:14:43      -32.047489        0.0000
BFGS:    5 17:14:43      -32.047489        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.543169992616797e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8967445900503814, -2.3919203672744347e-33, 6.629554011794081e-33], [1.054379915260234e-33, 3.8967445900503814, -1.592567842132048e-19], [-4.442026670874344e-34, -1.5925678421320688e-19, 3.8967445900503814]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.54316999e-15 -4.54316999e-15 -4.54316999e-15 -8.95457119e-31
  3.38224712e-35  3.23404938e-51]
energy per atom =  -8.011872271054049
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0