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_1959LowCutoff_Mo__MO_228581001644_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      -25.713677        1.2180
BFGS:    1 17:05:07      -25.768996        0.8983
BFGS:    2 17:05:07      -25.828912        0.1092
BFGS:    3 17:05:07      -25.829712        0.0082
BFGS:    4 17:05:07      -25.829717        0.0001
BFGS:    5 17:05:07      -25.829717        0.0000
BFGS:    6 17:05:07      -25.829717        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4456006760245574e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9662030762523828, -1.0907655697925534e-33, -2.1741030428936464e-34], [-8.593382083549425e-33, 3.9662030762523828, 1.0945168647065451e-17], [5.753690645382854e-35, 1.0945168647065454e-17, 3.9662030762523828]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.44560068e-14  1.44560068e-14  1.44560068e-14  1.66418511e-31
 -1.82829954e-33 -2.34761788e-50]
energy per atom =  -6.457429169566136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0