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_ChenDengTran_2017_Mo__MO_698578166685_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      -44.800710        0.5111
BFGS:    1 18:02:00      -44.809196        0.2600
BFGS:    2 18:02:00      -44.811930        0.0230
BFGS:    3 18:02:00      -44.811950        0.0009
BFGS:    4 18:02:00      -44.811950        0.0000
BFGS:    5 18:02:00      -44.811950        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4795962256789587e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1599882034125533, 3.500667563631157e-34, -5.167529348648742e-35], [6.636591432075232e-34, 3.159988203412553, -8.118122451415399e-20], [-3.8510233916347013e-33, -8.118122451415174e-20, 3.1599882034125533]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.47959623e-11 -2.47959623e-11 -2.47959623e-11  7.90849290e-27
 -1.02865156e-34 -7.54853625e-51]
energy per atom =  -5.130179185582367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0