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_LiHuChen_2018_NiMo__MO_468686727341_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 15:31:08       -9.641309         5.776746
BFGS:    1 15:31:08      -10.033534         2.009295
BFGS:    2 15:31:08      -10.045337         1.297645
BFGS:    3 15:31:08      -10.056248         0.099109
BFGS:    4 15:31:08      -10.056323         0.014878
BFGS:    5 15:31:08      -10.056325         0.002043
BFGS:    6 15:31:08      -10.056325         0.000020
BFGS:    7 15:31:08      -10.056325         0.000000
BFGS:    8 15:31:08      -10.056325         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.533920020047303e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.672224629331008, 2.2922157408055887e-17, -2.111713047813617e-37], [-1.336112314665504, 2.314214413619109, 4.298471699113325e-37], [-2.9054950248400432e-36, -1.4829345542925766e-35, 2.35501763496097]])
forces =  [[0. 0. 0.]]
stress =  [ 1.81190896e-11  1.81190896e-11 -5.53392002e-11  5.53726293e-46
  1.67588121e-46  4.07174445e-27]
energy per atom =  -2.332104349560028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0