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_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 15:26:17      -26.394643         1.807438
BFGS:    1 15:26:17      -26.444282         1.592096
BFGS:    2 15:26:17      -26.515999         1.170538
BFGS:    3 15:26:17      -26.562054         0.743005
BFGS:    4 15:26:17      -26.590085         0.582349
BFGS:    5 15:26:17      -26.610267         0.695392
BFGS:    6 15:26:17      -26.631896         0.637835
BFGS:    7 15:26:17      -26.656886         0.355273
BFGS:    8 15:26:17      -26.665653         0.101096
BFGS:    9 15:26:17      -26.666244         0.014166
BFGS:   10 15:26:17      -26.666255         0.001592
BFGS:   11 15:26:17      -26.666256         0.000187
BFGS:   12 15:26:17      -26.666256         0.000013
BFGS:   13 15:26:17      -26.666256         0.000000
BFGS:   14 15:26:17      -26.666256         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.7418394109686e-32 eV/Angstrom
Maximum stress component: 1.8117735952410603e-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([[2.8224514775194547, 1.006837042958654e-17, -2.9950908777211083e-36], [-1.4112257387597273, 2.444314680480772, -5.192435690372608e-36], [-2.444291952030747e-35, -4.5599473923189046e-35, 9.107222352522221]])
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 -3.74183941e-32]
 [ 1.84818690e-32 -1.19258664e-32  1.30282289e-68]]
stress =  [-4.60103457e-11 -4.60103457e-11  1.81177360e-10 -8.30555508e-34
  1.59840482e-34 -3.47830830e-27]
energy per atom =  -6.666563936460711
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0