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 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: 3.681889420539918e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7432717706676493, -1.2271265674806388e-17, 6.377512795297685e-38], [-1.3716358853338246, 2.375743042882904, 1.0125343546415231e-37], [-1.0863578571710979e-35, 4.4288353150026384e-35, 2.5511388421115155]])
forces =  [[0. 0. 0.]]
stress =  [3.68188942e-10 3.68188942e-10 8.32624140e-11 2.31704106e-36
 5.73318981e-37 1.50941285e-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