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:
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002
==== 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 14:38:41       -5.645144        0.5725
BFGS:    1 14:38:41       -5.651960        0.2029
BFGS:    2 14:38:41       -5.653344        0.0857
BFGS:    3 14:38:41       -5.653435        0.0297
BFGS:    4 14:38:41       -5.653449        0.0004
BFGS:    5 14:38:41       -5.653449        0.0000
BFGS:    6 14:38:41       -5.653449        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.681889420539918e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7432717706676493, -1.2179591521222407e-17, -4.7132339390460745e-36], [-1.3716358853338246, 2.375743042882904, 3.235864783762025e-36], [4.3758348716222585e-38, 3.384471132487758e-35, 2.5511388421115155]])
forces =  [[0. 0. 0.]]
stress =  [ 3.68188942e-10  3.68188942e-10  8.32624140e-11 -3.09710008e-45
  7.66615082e-46  5.06750752e-26]
energy per atom =  -5.653448891393056
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0