element(s):
['Mo']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1827']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:19      -12.745572         0.622416
BFGS:    1 16:15:19      -12.757523         0.270052
BFGS:    2 16:15:19      -12.760156         0.014648
BFGS:    3 16:15:19      -12.760163         0.000319
BFGS:    4 16:15:19      -12.760163         0.000000
BFGS:    5 16:15:19      -12.760163         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.694543402197194e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1582519675791207, 7.877358359161917e-33, 1.4159648066156186e-34], [1.0455556969705315e-32, 3.1582519675791203, -2.4112523615783005e-18], [-1.0085552047307213e-33, -2.4112523615783017e-18, 3.1582519675791207]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.69454340e-13 -5.69454340e-13 -5.69454340e-13  1.14125896e-29
  4.32508805e-33 -4.43357952e-50]
energy per atom =  -6.38008157172871
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0