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 18:02:00      -21.700343        0.2984
BFGS:    1 18:02:00      -21.703089        0.1307
BFGS:    2 18:02:00      -21.703733        0.0018
BFGS:    3 18:02:00      -21.703733        0.0000
BFGS:    4 18:02:00      -21.703733        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.522464503087806e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.17069958879425, 6.860151856520764e-34, -2.6598914704018687e-33], [8.34468507018508e-33, 3.1706995887942497, 1.8128887243680414e-20], [3.539531732881446e-33, 1.8128887243681834e-20, 3.17069958879425]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.52246450e-11  5.52246450e-11  5.52246450e-11  1.96732424e-27
 -3.87080852e-60 -4.04784545e-60]
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