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_KimSeolJi_2017_PtMo__MO_831380044253_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 17:05:36      -26.505682        0.9132
BFGS:    1 17:05:36      -26.537168        0.6943
BFGS:    2 17:05:36      -26.577522        0.0592
BFGS:    3 17:05:36      -26.577794        0.0034
BFGS:    4 17:05:36      -26.577795        0.0000
BFGS:    5 17:05:36      -26.577795        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.465344951668909e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.72076174e-49 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([[3.976307400446809, -1.0615650178798213e-33, -3.427177960612265e-33], [6.757442902260355e-33, 3.976307400446809, 8.222193798531979e-18], [-9.702100813176249e-33, 8.222193798531984e-18, 3.976307400446809]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.46534495e-10 -2.46534495e-10 -2.46534495e-10 -4.71636433e-28
 -4.54754862e-34 -2.31064540e-50]
energy per atom =  -6.644448635248032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0