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 16:16:06        0.002701         0.378710
BFGS:    1 16:16:06       -0.001822         0.177660
BFGS:    2 16:16:06       -0.003066         0.004955
BFGS:    3 16:16:06       -0.003067         0.000067
BFGS:    4 16:16:06       -0.003067         0.000000
BFGS:    5 16:16:06       -0.003067         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.883399339916138e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1666863792278663, -2.6049102596925084e-33, 6.020884328264785e-33], [9.082376992979619e-33, 3.166686379227866, -1.925397917829528e-20], [5.782015832733925e-33, -1.925397917830241e-20, 3.1666863792278663]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.88339934e-15 -7.88339934e-15 -7.88339934e-15 -2.22514855e-30
 -4.70539907e-34 -1.72694332e-49]
energy per atom =  -6.8785810859748056
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0