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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
==== 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 15:25:49      -25.211132         3.681804
BFGS:    1 15:25:49      -25.390011         3.300666
BFGS:    2 15:25:49      -25.544108         2.728483
BFGS:    3 15:25:49      -25.668205         2.096988
BFGS:    4 15:25:49      -25.759605         1.405832
BFGS:    5 15:25:49      -25.815656         0.657850
BFGS:    6 15:25:49      -25.834116         0.192593
BFGS:    7 15:25:49      -25.835138         0.139207
BFGS:    8 15:25:49      -25.836217         0.003230
BFGS:    9 15:25:49      -25.836218         0.000274
BFGS:   10 15:25:49      -25.836218         0.000007
BFGS:   11 15:25:49      -25.836218         0.000000
BFGS:   12 15:25:49      -25.836218         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.333248316479647e-31 eV/Angstrom
Maximum stress component: 3.0772440988022335e-11 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([[2.8058663743002272, 1.0145675877391253e-17, 2.490121431896432e-34], [-1.4029331871501136, 2.4299515597685333, 4.949223247673736e-34], [8.651244860227109e-34, 2.4425031491101197e-33, 9.170996584609483]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.45849732e-32 -1.99676436e-32 -4.33324832e-31]
 [-2.66592502e-32  6.23988863e-33 -7.75293457e-67]]
stress =  [ 3.07724410e-11  3.07724410e-11 -1.97726639e-11 -3.68735586e-33
 -1.27733754e-33 -2.84380594e-27]
energy per atom =  -6.459054455108101
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0