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 16:28:30      -25.389151         1.942481
BFGS:    1 16:28:30      -25.533949         1.517454
BFGS:    2 16:28:30      -25.689666         0.497941
BFGS:    3 16:28:30      -25.701927         0.187680
BFGS:    4 16:28:30      -25.703641         0.014788
BFGS:    5 16:28:30      -25.703652         0.000390
BFGS:    6 16:28:30      -25.703652         0.000001
BFGS:    7 16:28:30      -25.703652         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2877933689529595e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.35110901e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.44945662e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.44945662e-35]]
cellpar =  Cell([[3.9313412054515178, 6.163983325963875e-33, 2.5177718544695995e-33], [2.88414274752885e-33, 3.9313412054515178, -8.360530715659659e-19], [-7.07175182018519e-34, -8.360530715659655e-19, 3.9313412054515178]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.28779337e-12  3.28779337e-12  3.28779337e-12 -6.37503318e-29
 -2.90760759e-34 -5.64911496e-51]
energy per atom =  -6.425913101010494
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0