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 17:05:36      -25.389151        1.9425
BFGS:    1 17:05:36      -25.533949        1.5175
BFGS:    2 17:05:36      -25.689666        0.4979
BFGS:    3 17:05:36      -25.701927        0.1877
BFGS:    4 17:05:36      -25.703641        0.0148
BFGS:    5 17:05:36      -25.703652        0.0004
BFGS:    6 17:05:36      -25.703652        0.0000
BFGS:    7 17:05:36      -25.703652        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.285687569160398e-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 7.83826117e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9313412054515164, 1.2488298137390888e-32, -5.872911003130774e-33], [2.187559959803944e-32, 3.9313412054515164, 1.8440896311333833e-17], [8.466299137626808e-33, 1.8440896311333827e-17, 3.931341205451517]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.28568757e-12  3.28568757e-12  3.28568757e-12 -3.55907840e-29
  2.32608607e-34  2.17686465e-51]
energy per atom =  -6.425913101010499
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0