element(s):
['Mo']
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:
['3.1827']
model name:
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:03:00        0.002701         0.378710
BFGS:    1 16:03:00       -0.001822         0.177660
BFGS:    2 16:03:00       -0.003066         0.004955
BFGS:    3 16:03:00       -0.003067         0.000067
BFGS:    4 16:03:00       -0.003067         0.000000
BFGS:    5 16:03:00       -0.003067         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.995294158025251e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1666863792278668, 5.186545298003708e-33, -1.3942927834032468e-32], [-1.9459446814101832e-33, 3.1666863792278663, -1.3209921706770247e-21], [-1.0252879062601631e-33, -1.3209921706705367e-21, 3.1666863792278668]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.99529416e-15 -6.99529416e-15 -6.99529416e-15 -2.26604142e-31
 -6.40190349e-35 -1.60162296e-50]
energy per atom =  -6.878581085974809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0