element(s):
['W']
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:
['4.0614']
model name:
EAM_Dynamo_MasonNguyenManhBecquart_2017_W__MO_268730733493_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:36:21      -34.632659         2.172565
BFGS:    1 15:36:21      -34.787044         1.238975
BFGS:    2 15:36:21      -34.906813         0.780626
BFGS:    3 15:36:21      -34.979298         0.152655
BFGS:    4 15:36:21      -34.981547         0.031499
BFGS:    5 15:36:21      -34.981642         0.000939
BFGS:    6 15:36:21      -34.981642         0.000006
BFGS:    7 15:36:21      -34.981642         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.207212465333355e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 1.2260802e-35 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9270064609249298, 4.5071310470737045e-33, -3.520771056123537e-33], [5.316644773952884e-33, 3.9270064609249298, 6.650653253436216e-19], [2.4247099113247325e-33, 6.650653253436119e-19, 3.9270064609249298]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.20721247e-11 -6.20721247e-11 -6.20721247e-11  2.25150895e-27
  6.66064032e-35 -6.91998623e-52]
energy per atom =  -8.745410482358011
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0