element(s):
['W']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1104']
model name:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['W', 'W']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1104, 0, 0], [0, 5.1104, 0], [0, 0, 5.1104]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:28:23        2.849089        1.2569
BFGS:    1 14:28:23        2.787005        1.0491
BFGS:    2 14:28:23        2.671362        0.4999
BFGS:    3 14:28:23        2.635216        0.0349
BFGS:    4 14:28:23        2.635030        0.0013
BFGS:    5 14:28:23        2.635030        0.0000
BFGS:    6 14:28:23        2.635030        0.0000
Minimization converged after 6 steps.
Maximum force component: 4.260791765523488e-32 eV/Angstrom
Maximum stress component: 1.8510246490511407e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 2.97145641e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.1851474294528135, 2.2145840553398664e-32, -1.102094023458435e-32], [5.268531254946671e-32, 5.1851474294528135, -9.524938876733623e-18], [-1.793350255228299e-32, -9.524938876733615e-18, 5.1851474294528135]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.26079177e-32  3.19559382e-32 -5.87019680e-50]
 [-2.51015812e-64 -3.19559382e-32 -2.13039588e-32]
 [ 7.36824951e-65  3.91346453e-50 -2.13039588e-32]
 [-2.13039588e-32 -1.95673227e-50  1.06519794e-32]
 [ 1.06519794e-32  4.54947600e-65 -2.26405961e-65]
 [-2.16465538e-64 -2.13039588e-32  3.91346453e-50]]
stress =  [-1.85102465e-11 -1.85102465e-11 -1.85102465e-11  3.14101307e-27
  4.77558971e-36 -1.21619096e-52]
energy per atom =  -7.610936422007103
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0