element(s):
['Mo']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1827']
model name:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Mo__SM_769176993156_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:12      -13.629920         0.333022
BFGS:    1 16:02:12      -13.633514         0.169983
BFGS:    2 16:02:12      -13.634755         0.003956
BFGS:    3 16:02:12      -13.634755         0.000052
BFGS:    4 16:02:12      -13.634755         0.000000
BFGS:    5 16:02:12      -13.634755         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.628294816109092e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.167413109519256, -3.6169332963509566e-33, 1.1352571638720132e-33], [-4.580683276051753e-33, 3.1674131095192557, 1.0716110782732087e-20], [3.0591091762341966e-33, 1.0716110782730808e-20, 3.167413109519256]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.62829482e-15 -3.62829482e-15 -3.62829482e-15  1.09364156e-30
 -1.22860150e-33  3.40452553e-49]
energy per atom =  -6.817377657777894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0