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:
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
==== 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 15:30:22       -6.064879         1.920404
BFGS:    1 15:30:22       -6.132288         0.383320
BFGS:    2 15:30:22       -6.135578         0.103054
BFGS:    3 15:30:22       -6.135663         0.001866
BFGS:    4 15:30:22       -6.135663         0.000028
BFGS:    5 15:30:22       -6.135663         0.000001
BFGS:    6 15:30:22       -6.135663         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.906912227547281e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.684929897494898, 5.5353576583333344e-18, 2.310259198304186e-38], [-1.342464948747449, 2.3252174986109306, -1.2487085588230735e-35], [2.2267921420735144e-38, -1.0554686560011445e-38, 2.5433232193341286]])
forces =  [[0. 0. 0.]]
stress =  [-7.72615054e-11 -7.72615054e-11  5.90691223e-10 -6.94758816e-34
 -1.65095290e-45  1.02954624e-27]
energy per atom =  -6.135663130465738
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0