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:
Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_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 14:25:21      -88.450730         0.749071
BFGS:    1 14:25:21      -88.469549         0.614819
BFGS:    2 14:25:21      -88.534317         0.698340
BFGS:    3 14:25:21      -88.566822         0.694157
BFGS:    4 14:25:21      -88.584855         0.583240
BFGS:    5 14:25:21      -88.596340         0.366954
BFGS:    6 14:25:21      -88.602301         0.199111
BFGS:    7 14:25:21      -88.605714         0.059976
BFGS:    8 14:25:21      -88.606274         0.010319
BFGS:    9 14:25:21      -88.606284         0.001076
BFGS:   10 14:25:21      -88.606284         0.000010
BFGS:   11 14:25:21      -88.606284         0.000000
BFGS:   12 14:25:21      -88.606284         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.8383814653384797e-32 eV/Angstrom
Maximum stress component: 6.944415694311787e-12 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([[2.86339604562791, -1.9816648011536192e-17, 4.7696009952732957e-35], [-1.431698022813955, 2.479773716609676, 9.227454474168196e-35], [1.659583221554435e-34, 4.4680147723383175e-34, 9.34219501140717]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.41176015e-33  2.54713091e-33 -3.83838147e-32]
 [ 4.41176015e-33 -2.54713091e-33  3.83838147e-32]]
stress =  [-2.60745883e-12 -2.60745883e-12  6.94441569e-12 -4.41410386e-44
 -1.52908077e-44 -3.25293494e-28]
energy per atom =  -4.875775096388153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0