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_1959MedCutoff_Mo__MO_534363225491_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 18:01:14      -13.350226        0.9796
BFGS:    1 18:01:14      -13.380271        0.4431
BFGS:    2 18:01:14      -13.387371        0.0399
BFGS:    3 18:01:14      -13.387426        0.0014
BFGS:    4 18:01:14      -13.387426        0.0000
BFGS:    5 18:01:14      -13.387426        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0409834563404486e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1435002723104866, -9.799563907108773e-33, -3.334993466409697e-33], [4.90416005532315e-33, 3.143500272310486, 1.1796520200769157e-20], [1.0266099140205428e-32, 1.1796520200750916e-20, 3.1435002723104866]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.04098346e-11 -3.04098346e-11 -3.04098346e-11  2.29842506e-27
 -2.07894119e-34  5.43820890e-50]
energy per atom =  -6.6937132455948
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0