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_1959HighCutoff_Mo__MO_666830945336_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 16:14:12      -13.465584         1.032141
BFGS:    1 16:14:12      -13.499283         0.477078
BFGS:    2 16:14:12      -13.507513         0.051586
BFGS:    3 16:14:12      -13.507605         0.001987
BFGS:    4 16:14:12      -13.507605         0.000008
BFGS:    5 16:14:12      -13.507605         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.603210709552913e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.140962822027309, -1.322834672005946e-36, 2.3084894561990513e-32], [-1.0136872371756081e-32, 3.1409628220273085, 1.8312240632824336e-19], [1.2029976318700998e-32, 1.8312240632825477e-19, 3.140962822027309]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.60321071e-11 -7.60321071e-11 -7.60321071e-11 -3.45377756e-26
 -2.02550437e-58  3.87679138e-59]
energy per atom =  -6.753802413943706
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0