element(s):
['S']
AFLOW prototype label:
A_hR1_166_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:
['3.6578933', '1.2150295']
model name:
SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['S']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[3.6579, 0, 0], [-1.82895, 3.1678343245031, 0], [0, 0, 4.4444]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:51:45        0.532977        1.4618
BFGS:    1 15:51:45        0.446555        1.3384
BFGS:    2 15:51:45        0.268265        1.0899
BFGS:    3 15:51:45        0.122773        0.9017
BFGS:    4 15:51:45        0.001673        0.7660
BFGS:    5 15:51:45       -0.102202        0.6733
BFGS:    6 15:51:45       -0.194508        0.6119
BFGS:    7 15:51:45       -0.279048        0.5676
BFGS:    8 15:51:45       -0.357473        0.5247
BFGS:    9 15:51:45       -0.429228        0.4694
BFGS:   10 15:51:45       -0.492072        0.3948
BFGS:   11 15:51:45       -0.543373        0.3061
BFGS:   12 15:51:45       -0.581686        0.2160
BFGS:   13 15:51:45       -0.607317        0.1335
BFGS:   14 15:51:45       -0.621475        0.0601
BFGS:   15 15:51:45       -0.625432        0.0063
BFGS:   16 15:51:45       -0.625480        0.0004
BFGS:   17 15:51:45       -0.625480        0.0000
BFGS:   18 15:51:45       -0.625480        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.3713160093194006e-32 eV/Angstrom
Maximum stress component: 3.2585076123430296e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S']
basis =  [[0.         0.         0.        ]
 [0.66666667 0.33333333 0.33333333]
 [0.33333333 0.66666667 0.66666667]]
cellpar =  Cell([[4.532095754872746, 8.781368313219301e-17, 4.113034030112705e-17], [-2.266047877436373, 3.9249100561034105, 3.8311147564878445e-17], [-2.2510565204854172e-16, -3.607962944072235e-16, 5.470272976349155]])
forces =  [[ 4.65519943e-33 -1.85543255e-48  2.94990151e-32]
 [ 7.75866571e-34 -2.20854568e-48  3.37131601e-32]
 [ 3.10346628e-33 -1.91638190e-48  2.99672534e-32]]
stress =  [-3.25850761e-11 -3.25850761e-11 -3.16480768e-11 -1.73684597e-27
 -1.07530289e-27 -1.59757455e-26]
energy per atom =  -0.2084932211377459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0