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_486450342170_001
==== 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 10:49:35      -26.394643         1.807438
BFGS:    1 10:49:35      -26.444282         1.592096
BFGS:    2 10:49:35      -26.515999         1.170538
BFGS:    3 10:49:35      -26.562054         0.743005
BFGS:    4 10:49:35      -26.590085         0.582349
BFGS:    5 10:49:35      -26.610267         0.695392
BFGS:    6 10:49:35      -26.631896         0.637835
BFGS:    7 10:49:35      -26.656886         0.355273
BFGS:    8 10:49:35      -26.665653         0.101096
BFGS:    9 10:49:36      -26.666244         0.014166
BFGS:   10 10:49:36      -26.666255         0.001592
BFGS:   11 10:49:36      -26.666256         0.000187
BFGS:   12 10:49:36      -26.666256         0.000013
BFGS:   13 10:49:36      -26.666256         0.000000
BFGS:   14 10:49:36      -26.666256         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8709197054842995e-32 eV/Angstrom
Maximum stress component: 1.8117813126871223e-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([[2.8224514775194565, 1.8192190816252313e-17, -9.085474668862655e-36], [-1.4112257387597282, 2.444314680480773, -1.8258822055496659e-35], [-2.6756818654544566e-35, -6.631850775771398e-35, 9.10722235252222]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.34867505e-33  7.53212614e-33 -1.87091971e-32]
 [ 2.89911670e-33 -5.02141743e-33  3.75095596e-68]]
stress =  [-4.60089961e-11 -4.60089961e-11  1.81178131e-10 -7.38271562e-34
  6.32891384e-44  1.16217892e-26]
energy per atom =  -6.666563936460706
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0