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 15:20:22      -25.259925        2.6285
BFGS:    1 15:20:22      -25.413537        2.1349
BFGS:    2 15:20:22      -25.549715        1.3999
BFGS:    3 15:20:22      -25.611148        0.6131
BFGS:    4 15:20:22      -25.619908        0.4043
BFGS:    5 15:20:22      -25.627753        0.4242
BFGS:    6 15:20:22      -25.646276        0.2464
BFGS:    7 15:20:22      -25.649909        0.0670
BFGS:    8 15:20:22      -25.650140        0.0080
BFGS:    9 15:20:22      -25.650142        0.0013
BFGS:   10 15:20:22      -25.650142        0.0001
BFGS:   11 15:20:22      -25.650142        0.0000
BFGS:   12 15:20:22      -25.650142        0.0000
BFGS:   13 15:20:22      -25.650142        0.0000
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