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:
SNAP_ChenDengTran_2017_Mo__MO_698578166685_000
==== 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 16:10:37      -88.450730         0.749071
BFGS:    1 16:10:37      -88.469549         0.614819
BFGS:    2 16:10:37      -88.534317         0.698340
BFGS:    3 16:10:37      -88.566822         0.694157
BFGS:    4 16:10:37      -88.584855         0.583240
BFGS:    5 16:10:37      -88.596340         0.366954
BFGS:    6 16:10:37      -88.602301         0.199111
BFGS:    7 16:10:38      -88.605714         0.059976
BFGS:    8 16:10:38      -88.606274         0.010319
BFGS:    9 16:10:38      -88.606284         0.001076
BFGS:   10 16:10:38      -88.606284         0.000010
BFGS:   11 16:10:38      -88.606284         0.000000
BFGS:   12 16:10:38      -88.606284         0.000000
Minimization converged after 12 steps.
Maximum force component: 5.757572198007721e-32 eV/Angstrom
Maximum stress component: 6.946459131920615e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.11113680e-52 2.15565210e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8633960456279124, -2.432152643097534e-17, -6.069743791719867e-36], [-1.4316980228139562, 2.4797737166096776, -1.3442221246446563e-35], [-2.2332202952950355e-35, -7.674009221985393e-35, 9.342195011407172]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.61764539e-32 -1.27356545e-32 -5.75757220e-32]
 [-1.24999871e-32  1.14620891e-32 -4.96638353e-68]]
stress =  [-2.60508766e-12 -2.60508766e-12  6.94645913e-12 -7.09411485e-34
  1.95269046e-45  2.89332759e-28]
energy per atom =  -4.87577509638815
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0