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:
Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_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 16:02:12      -44.800710         0.511143
BFGS:    1 16:02:12      -44.809196         0.260036
BFGS:    2 16:02:12      -44.811930         0.023031
BFGS:    3 16:02:12      -44.811950         0.000911
BFGS:    4 16:02:12      -44.811950         0.000003
BFGS:    5 16:02:12      -44.811950         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.479510261365012e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.159988203412554, -2.3322187481674423e-32, 3.7554796484933686e-33], [-2.4165112775786745e-32, 3.1599882034125537, -2.147835546674326e-19], [-1.0703034026614079e-33, -2.1478355466743571e-19, 3.159988203412554]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.47951026e-11 -2.47951026e-11 -2.47951026e-11  7.90221953e-28
 -2.05730313e-34  5.72178534e-51]
energy per atom =  -5.130179185582378
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0