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_SetyawanGaoKurtz_2018_ReW__MO_680820064987_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 15:38:34      -32.022897         0.520130
BFGS:    1 15:38:34      -32.033158         0.399797
BFGS:    2 15:38:34      -32.047043         0.033765
BFGS:    3 15:38:34      -32.047134         0.001954
BFGS:    4 15:38:34      -32.047135         0.000009
BFGS:    5 15:38:34      -32.047135         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.558577868669214e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.5441437e-36 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.897649589257684, 2.1744520193518466e-33, 2.838243279991387e-34], [1.8324982114949037e-33, 3.897649589257684, -7.447189920757043e-20], [-2.8692431151567753e-34, -7.447189920757032e-20, 3.897649589257684]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.55857787e-10 -1.55857787e-10 -1.55857787e-10  7.47646703e-30
 -4.73294731e-34  1.94389719e-53]
energy per atom =  -8.01178369135097
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0