element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7779', '0.90949998']
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 =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:38:11       -5.323578        4.4136
BFGS:    1 14:38:11       -5.419927        0.5330
BFGS:    2 14:38:11       -5.422839        0.1053
BFGS:    3 14:38:11       -5.422934        0.0048
BFGS:    4 14:38:11       -5.422935        0.0001
BFGS:    5 14:38:11       -5.422935        0.0000
BFGS:    6 14:38:11       -5.422935        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8669057917940756e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7534560110308366, 1.489952981101542e-17, 7.526654514383958e-37], [-1.3767280055154183, 2.384562853755671, 6.044405311515207e-36], [-2.8348134510441635e-36, -4.902136554024822e-36, 2.6369384360372847]])
forces =  [[0. 0. 0.]]
stress =  [-7.09071597e-14 -7.09071597e-14 -1.86690579e-13 -4.55362175e-39
 -7.88710423e-39 -1.71329471e-29]
energy per atom =  -5.422934838654782
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0