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 15:00:31        0.532977         1.461777
BFGS:    1 15:00:31        0.446555         1.338429
BFGS:    2 15:00:31        0.268265         1.089935
BFGS:    3 15:00:31        0.122773         0.901722
BFGS:    4 15:00:31        0.001673         0.765972
BFGS:    5 15:00:31       -0.102202         0.673259
BFGS:    6 15:00:31       -0.194508         0.611859
BFGS:    7 15:00:31       -0.279048         0.567560
BFGS:    8 15:00:31       -0.357473         0.524699
BFGS:    9 15:00:31       -0.429228         0.469354
BFGS:   10 15:00:31       -0.492072         0.394805
BFGS:   11 15:00:31       -0.543373         0.306053
BFGS:   12 15:00:31       -0.581686         0.215997
BFGS:   13 15:00:31       -0.607317         0.133533
BFGS:   14 15:00:31       -0.621475         0.060144
BFGS:   15 15:00:31       -0.625432         0.006338
BFGS:   16 15:00:31       -0.625480         0.000356
BFGS:   17 15:00:31       -0.625480         0.000002
BFGS:   18 15:00:31       -0.625480         0.000000
Minimization converged after 18 steps.
Maximum force component: 7.491813354043105e-33 eV/Angstrom
Maximum stress component: 3.258501742979075e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S']
basis =  [[3.42387546e-33 3.25268168e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.53209575487275, 2.5946077799768286e-17, 4.113034030112728e-17], [-2.266047877436375, 3.924910056103414, 3.831114756487882e-17], [-2.251056520485416e-16, -3.607962944072229e-16, 5.4702729763491496]])
forces =  [[-2.42860380e-49 -5.37536128e-33  7.25769419e-33]
 [ 9.83478078e-50  5.37536128e-33 -3.74590668e-33]
 [-2.52494551e-49 -5.37536128e-33  7.49181335e-33]]
stress =  [-3.25850174e-11 -3.25850174e-11 -3.16480198e-11 -1.73684264e-27
 -1.07530059e-27 -1.39604840e-26]
energy per atom =  -0.20849322113774582
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0