element(s):
['Mo']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.028']
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 =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:07      -27.199746        1.4749
BFGS:    1 17:05:07      -27.281310        1.1013
BFGS:    2 17:05:07      -27.373420        0.0984
BFGS:    3 17:05:07      -27.374077        0.0094
BFGS:    4 17:05:07      -27.374083        0.0001
BFGS:    5 17:05:07      -27.374083        0.0000
BFGS:    6 17:05:07      -27.374083        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6095792829573707e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.9493598e-34]]
cellpar =  Cell([[3.9519229672983345, -2.205299672533689e-33, -2.426947470313491e-34], [-3.717669080532472e-33, 3.9519229672983345, -1.1217759202329897e-17], [5.821439555051424e-34, -1.1217759202329894e-17, 3.9519229672983345]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.60957928e-14 -1.60957928e-14 -1.60957928e-14  1.41055940e-31
 -3.54376459e-63 -1.94769811e-63]
energy per atom =  -6.843520685372944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0