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:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 15:23:34        2.069515         0.762630
BFGS:    1 15:23:34        2.046563         0.638366
BFGS:    2 15:23:34        2.009918         0.243348
BFGS:    3 15:23:34        2.006241         0.057635
BFGS:    4 15:23:34        2.005997         0.003710
BFGS:    5 15:23:34        2.005996         0.000063
BFGS:    6 15:23:34        2.005996         0.000000
BFGS:    7 15:23:34        2.005996         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.416277896863713e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.82399353e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.40097928e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.010717552656311, -4.1141823030042213e-32, 1.9182018863022214e-34], [-2.2635338466536426e-32, 4.010717552656311, 1.1813503985866386e-18], [-1.3007165553888352e-33, 1.1813503985866382e-18, 4.010717552656311]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.41627790e-14  7.41627790e-14  7.41627790e-14  2.75236705e-31
  1.24716839e-36 -4.91232354e-55]
energy per atom =  -7.438816277010244
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0