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_LiHuChen_2018_NiMo__MO_468686727341_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 16:02:59      -21.700343         0.298383
BFGS:    1 16:02:59      -21.703089         0.130695
BFGS:    2 16:02:59      -21.703733         0.001759
BFGS:    3 16:02:59      -21.703733         0.000011
BFGS:    4 16:02:59      -21.703733         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.522542576536135e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1706995887942506, 2.0730641755544559e-32, -3.110968146860349e-33], [2.073561928925031e-32, 3.17069958879425, 3.222461017539054e-20], [9.721393711834765e-34, 3.2224610175393136e-20, 3.1706995887942506]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.52254258e-11  5.52254258e-11  5.52254258e-11 -2.73731464e-29
  1.91571232e-35 -2.81284351e-52]
energy per atom =  -3.1276458237447784
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0