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 17:24:34        2.069515        0.7626
BFGS:    1 17:24:34        2.046563        0.6384
BFGS:    2 17:24:34        2.009918        0.2433
BFGS:    3 17:24:34        2.006241        0.0576
BFGS:    4 17:24:34        2.005997        0.0037
BFGS:    5 17:24:34        2.005996        0.0001
BFGS:    6 17:24:34        2.005996        0.0000
BFGS:    7 17:24:34        2.005996        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.416277896863712e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.00122409e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.50061205e-36]]
cellpar =  Cell([[4.010717552656311, 5.790408007928888e-34, -1.3983359498020735e-33], [4.1930363350449686e-33, 4.010717552656311, 5.806889568198229e-20], [1.1573002007578109e-33, 5.806889568198105e-20, 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  8.63428424e-31
 -7.98187770e-36 -1.53470479e-52]
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