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:
MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_002
==== 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 14:25:51      -26.394643         1.807438
BFGS:    1 14:25:51      -26.444282         1.592096
BFGS:    2 14:25:51      -26.515999         1.170538
BFGS:    3 14:25:51      -26.562054         0.743005
BFGS:    4 14:25:51      -26.590085         0.582349
BFGS:    5 14:25:51      -26.610267         0.695392
BFGS:    6 14:25:51      -26.631896         0.637835
BFGS:    7 14:25:51      -26.656886         0.355273
BFGS:    8 14:25:51      -26.665653         0.101096
BFGS:    9 14:25:51      -26.666244         0.014166
BFGS:   10 14:25:51      -26.666255         0.001592
BFGS:   11 14:25:51      -26.666256         0.000187
BFGS:   12 14:25:51      -26.666256         0.000013
BFGS:   13 14:25:51      -26.666256         0.000000
BFGS:   14 14:25:51      -26.666256         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.6838277339633306e-31 eV/Angstrom
Maximum stress component: 1.8117909605962303e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.18692358e-51 4.37384717e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8224514783367707, 9.087722340008576e-19, -1.2408426378806234e-35], [-1.4112257391683853, 2.4443146811885885, -1.0999116171741781e-35], [-3.595055887217085e-35, -1.168909891649359e-34, 9.107222347262104]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.73947002e-32  1.00428349e-32 -1.68382773e-31]
 [ 1.73947002e-32 -1.00428349e-32 -5.79036315e-69]]
stress =  [-4.60100069e-11 -4.60100069e-11  1.81179096e-10 -3.69135781e-33
  8.79223941e-44 -2.97204966e-27]
energy per atom =  -6.66656393645076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0