element(s):
['W']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2041']
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 =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:18:48       -0.003572         0.673896
BFGS:    1 17:18:48       -0.016755         0.231461
BFGS:    2 17:18:48       -0.018379         0.020228
BFGS:    3 17:18:48       -0.018390         0.002082
BFGS:    4 17:18:48       -0.018390         0.000165
BFGS:    5 17:18:48       -0.018390         0.000000
BFGS:    6 17:18:48       -0.018390         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.488071761124654e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.181191004881, 2.5806031549447514e-33, -1.6715094704799318e-32], [-8.007839138344788e-34, 3.1811910048809997, -5.2645325963602926e-20], [-2.2934339524492055e-32, -5.264532596357057e-20, 3.181191004881]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.48807176e-14  3.48807176e-14  3.48807176e-14  1.66825427e-29
 -3.42557515e-34 -8.17789582e-50]
energy per atom =  -7.949510279951531
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0