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 18:01:14      -13.629920        0.3330
BFGS:    1 18:01:14      -13.633514        0.1700
BFGS:    2 18:01:14      -13.634755        0.0040
BFGS:    3 18:01:14      -13.634755        0.0001
BFGS:    4 18:01:14      -13.634755        0.0000
BFGS:    5 18:01:14      -13.634755        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.925580534844296e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1674131095192553, -6.53555480417039e-33, -1.1242368676075445e-33], [8.390931131286665e-33, 3.167413109519255, 1.0890214506938343e-20], [2.560162019912185e-33, 1.0890214506932526e-20, 3.1674131095192553]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.92558053e-15 -4.92558053e-15 -4.92558053e-15 -7.94887800e-31
 -2.04766916e-34 -3.33172181e-50]
energy per atom =  -6.817377657777892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0