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_1959MedCutoff_Mo__MO_534363225491_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 15:19:33      -26.446716        4.0176
BFGS:    1 15:19:33      -26.635768        3.5335
BFGS:    2 15:19:33      -26.799208        2.9678
BFGS:    3 15:19:33      -26.933444        2.3462
BFGS:    4 15:19:33      -27.035338        1.6564
BFGS:    5 15:19:33      -27.102137        0.9059
BFGS:    6 15:19:33      -27.131466        0.2241
BFGS:    7 15:19:33      -27.133703        0.1650
BFGS:    8 15:19:33      -27.134740        0.0844
BFGS:    9 15:19:33      -27.135177        0.0269
BFGS:   10 15:19:33      -27.135198        0.0041
BFGS:   11 15:19:33      -27.135198        0.0002
BFGS:   12 15:19:33      -27.135198        0.0000
BFGS:   13 15:19:33      -27.135198        0.0000
BFGS:   14 15:19:33      -27.135198        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.0023998487896985e-31 eV/Angstrom
Maximum stress component: 2.1447890071503015e-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([[2.7962749660057487, 2.1497437469101185e-18, -1.566053512028631e-36], [-1.3981374830028743, 2.4216451565274455, -6.285116021222839e-36], [-4.035472103688798e-36, -1.4974392408513732e-35, 9.134385529064176]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.63213787e-68 -2.46098182e-67  1.50119992e-31]
 [ 1.43611458e-33 -2.48742342e-33 -3.00239985e-31]]
stress =  [-2.13172985e-11 -2.13172985e-11  2.14478901e-10 -9.28708382e-34
 -3.21714021e-34 -5.37087488e-27]
energy per atom =  -6.783799522681499
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0