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_LiChenZheng_2019_NbTaWMo__MO_560387080449_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        1.629032         1.560884
BFGS:    1 16:10:37        1.594927         1.374206
BFGS:    2 16:10:37        1.531146         0.932590
BFGS:    3 16:10:37        1.485846         0.466687
BFGS:    4 16:10:37        1.458265         0.440568
BFGS:    5 16:10:37        1.446667         0.323214
BFGS:    6 16:10:37        1.442794         0.167706
BFGS:    7 16:10:37        1.441396         0.036760
BFGS:    8 16:10:37        1.441352         0.004800
BFGS:    9 16:10:37        1.441350         0.000340
BFGS:   10 16:10:37        1.441350         0.000028
BFGS:   11 16:10:37        1.441350         0.000001
BFGS:   12 16:10:37        1.441350         0.000000
BFGS:   13 16:10:37        1.441350         0.000000
Minimization converged after 13 steps.
Maximum force component: 9.287769473017709e-32 eV/Angstrom
Maximum stress component: 1.3762488524419573e-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([[2.8256751713405577, -8.296664471065155e-18, -1.0776846772482697e-35], [-1.4128375856702788, 2.4471064812238708, -2.2602641300059107e-35], [-4.48587793627199e-35, -1.3742325074645952e-34, 9.373181186495785]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.28776947e-32 -2.01086108e-32 -7.70222520e-32]
 [-8.12679829e-32  4.02172215e-32  7.70222520e-32]]
stress =  [ 1.11911376e-12  1.11911376e-12  1.37624885e-11  2.48163417e-44
  8.59426152e-45 -5.59394635e-29]
energy per atom =  -6.516709979941469
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0