element(s):
['Mo']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.028']
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 =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:06      -25.389151        1.9425
BFGS:    1 17:05:06      -25.533949        1.5175
BFGS:    2 17:05:06      -25.689666        0.4979
BFGS:    3 17:05:06      -25.701927        0.1877
BFGS:    4 17:05:06      -25.703641        0.0148
BFGS:    5 17:05:06      -25.703652        0.0004
BFGS:    6 17:05:06      -25.703652        0.0000
BFGS:    7 17:05:06      -25.703652        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2870300337881227e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.67418492e-35]]
cellpar =  Cell([[3.9313412054515173, -6.81212706826037e-33, 8.134561058716352e-33], [-6.193138256557563e-33, 3.9313412054515173, -8.363868158723728e-19], [-6.830912042482826e-33, -8.363868158723603e-19, 3.9313412054515173]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.28703003e-12  3.28703003e-12  3.28703003e-12  3.52798611e-28
  4.58177864e-60 -9.68711836e-61]
energy per atom =  -6.425913101010497
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0