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:
MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_002
==== 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 22:27:04      -13.629920         0.333022
BFGS:    1 22:27:04      -13.633514         0.169983
BFGS:    2 22:27:05      -13.634755         0.003956
BFGS:    3 22:27:05      -13.634755         0.000052
BFGS:    4 22:27:05      -13.634755         0.000000
BFGS:    5 22:27:05      -13.634755         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.044187607564983e-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, 1.5758434133482044e-33, 3.4056473221739022e-34], [-7.458666443360583e-33, 3.167413109519255, -8.63343693782553e-21], [-4.564938384891134e-34, -8.633436937822084e-21, 3.1674131095192553]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.04418761e-15 -5.04418761e-15 -5.04418761e-15  1.68010843e-33
 -1.11981907e-35 -8.29952939e-53]
energy per atom =  -6.8173776577779
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0