element(s):
['Mo']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.028']
model name:
SNAP_ChenDengTran_2017_Mo__MO_698578166685_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:53      -88.439461        0.2249
BFGS:    1 17:05:53      -88.441376        0.1728
BFGS:    2 17:05:53      -88.444214        0.0060
BFGS:    3 17:05:53      -88.444218        0.0002
BFGS:    4 17:05:53      -88.444218        0.0000
BFGS:    5 17:05:53      -88.444218        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.820898311005831e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.042378036324928, -7.623228985904643e-33, 3.397422026627851e-33], [-3.811563919874909e-33, 4.042378036324928, -2.457064702748605e-21], [-9.539725304707158e-34, -2.4570647027303182e-21, 4.042378036324928]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.82089831e-13 -2.82089831e-13 -2.82089831e-13 -2.82511442e-29
 -7.85733691e-36 -8.15536813e-52]
energy per atom =  -4.835258656218876
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0