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_ZuoChenLi_2019_Mo__MO_014123846623_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 16:16:05      -21.697671         0.321974
BFGS:    1 16:16:05      -21.700916         0.147861
BFGS:    2 16:16:05      -21.701771         0.002291
BFGS:    3 16:16:05      -21.701771         0.000018
BFGS:    4 16:16:05      -21.701771         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.345295018005278e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1692584800670462, 1.7255986138642397e-34, -1.3685649123995298e-34], [1.815981428951312e-32, 3.169258480067046, -2.4212136151533346e-20], [1.0081656523377071e-32, -2.4212136151548263e-20, 3.1692584800670462]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.34529502e-10 1.34529502e-10 1.34529502e-10 2.67265481e-26
 1.53396394e-34 2.52451184e-50]
energy per atom =  -5.4962799788657115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0