element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7695', '3.5762773']
model name:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_Mo__SM_769176993156_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:50      -25.259925         2.628461
BFGS:    1 16:13:50      -25.413537         2.134945
BFGS:    2 16:13:50      -25.549715         1.399935
BFGS:    3 16:13:50      -25.611148         0.613076
BFGS:    4 16:13:50      -25.619908         0.404255
BFGS:    5 16:13:50      -25.627753         0.424197
BFGS:    6 16:13:50      -25.646276         0.246385
BFGS:    7 16:13:50      -25.649909         0.066983
BFGS:    8 16:13:50      -25.650140         0.007994
BFGS:    9 16:13:50      -25.650142         0.001254
BFGS:   10 16:13:50      -25.650142         0.000106
BFGS:   11 16:13:50      -25.650142         0.000011
BFGS:   12 16:13:50      -25.650142         0.000001
BFGS:   13 16:13:50      -25.650142         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.817189450385975e-32 eV/Angstrom
Maximum stress component: 4.4053658353594496e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.752841767633368, -1.21317287487621e-17, 8.700267287018495e-36], [-1.376420883816684, 2.3840309033693545, 1.7525511709716041e-35], [3.606607639069272e-35, 1.103803679885794e-34, 9.290615996095962]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.48182905e-67  4.53514359e-67  3.81718945e-32]
 [ 2.54485459e-32 -4.89757494e-33 -3.81718945e-32]]
stress =  [ 1.96796627e-10  1.96796627e-10  4.40536584e-10  7.41998120e-34
  6.42589222e-34 -8.78013823e-27]
energy per atom =  -6.4125355914319515
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0