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:
MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_002
==== 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 16:26:03      -25.389151         1.942481
BFGS:    1 16:26:03      -25.533949         1.517454
BFGS:    2 16:26:03      -25.689666         0.497941
BFGS:    3 16:26:03      -25.701927         0.187680
BFGS:    4 16:26:03      -25.703641         0.014788
BFGS:    5 16:26:03      -25.703652         0.000390
BFGS:    6 16:26:03      -25.703652         0.000001
BFGS:    7 16:26:03      -25.703652         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.284879486372689e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.04426616e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.931341205451516, 2.0498809276828972e-33, -9.283782062207606e-33], [-1.76647065393863e-32, 3.931341205451516, 7.774460482137787e-18], [-6.680286339378134e-33, 7.77446048213777e-18, 3.9313412054515164]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.28487949e-12  3.28487949e-12  3.28487949e-12  1.06086911e-27
 -4.98447016e-35 -1.13699134e-50]
energy per atom =  -6.425913101010493
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0