element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7779', '0.90949998']
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 =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:39:49       -9.785439        2.6114
BFGS:    1 14:39:49       -9.872279        1.5955
BFGS:    2 14:39:49       -9.891663        0.3138
BFGS:    3 14:39:49       -9.892588        0.0252
BFGS:    4 14:39:49       -9.892593        0.0016
BFGS:    5 14:39:49       -9.892593        0.0002
BFGS:    6 14:39:49       -9.892593        0.0000
BFGS:    7 14:39:49       -9.892593        0.0000
BFGS:    8 14:39:49       -9.892593        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0286117856209658e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7077905030938476, 3.049560939826179e-17, -4.5985861012861396e-38], [-1.3538952515469238, 2.3450153638055187, -9.493289780987072e-39], [-1.277783895166012e-38, 2.698754191944166e-35, 2.4553854315590504]])
forces =  [[0. 0. 0.]]
stress =  [ 2.02861179e-10  2.02861179e-10 -3.15405535e-12 -8.91956862e-34
 -1.54491460e-34 -1.10426873e-26]
energy per atom =  -4.537987575528648
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0