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:
SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000
==== 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 15:30:35       -8.925695         7.559586
BFGS:    1 15:30:35       -9.947214         6.593841
BFGS:    2 15:30:35      -10.714467         5.025924
BFGS:    3 15:30:35      -11.203351         3.137665
BFGS:    4 15:30:35      -11.433292         1.123774
BFGS:    5 15:30:35      -11.443485         0.185784
BFGS:    6 15:30:35      -11.443933         0.025110
BFGS:    7 15:30:35      -11.443939         0.018414
BFGS:    8 15:30:35      -11.443941         0.000094
BFGS:    9 15:30:35      -11.443941         0.000002
BFGS:   10 15:30:35      -11.443941         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8430420759433408e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.206446155648646, 5.3403261196321554e-17, -2.690258584683745e-35], [-1.103223077824323, 1.910838422874242, -2.7860553676008324e-35], [1.498997785309112e-35, 6.360132425344456e-35, 2.1439728470321775]])
forces =  [[0. 0. 0.]]
stress =  [-1.71585635e-10 -1.71585635e-10  1.84304208e-10  1.42199076e-44
  5.22918481e-45  3.55562090e-26]
energy per atom =  -11.44394142580807
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0