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_JeongParkDo_2018_PdMo__MO_356501945107_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 16:53:34       -5.645144         0.572484
BFGS:    1 16:53:34       -5.651960         0.202868
BFGS:    2 16:53:34       -5.653344         0.085750
BFGS:    3 16:53:34       -5.653435         0.029709
BFGS:    4 16:53:34       -5.653449         0.000351
BFGS:    5 16:53:34       -5.653449         0.000001
BFGS:    6 16:53:34       -5.653449         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.682191450215186e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7432717699687736, 1.2534368161039953e-17, 2.3640157572607037e-36], [-1.3716358849843868, 2.375743042277659, 4.699288453934138e-36], [-1.1663779176580007e-35, -1.1794769961417233e-35, 2.551138841150682]])
forces =  [[0. 0. 0.]]
stress =  [ 3.68219145e-10  3.68219145e-10  8.32677234e-11 -5.29609387e-36
  1.54117735e-45 -1.35250656e-25]
energy per atom =  -5.653448891451634
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0