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_WenShirodkarPlechac_2017_MoS__MO_201919462778_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 16:53:19       -6.939036         1.867536
BFGS:    1 16:53:19       -7.022737         1.177169
BFGS:    2 16:53:19       -7.060868         0.181753
BFGS:    3 16:53:19       -7.062840         0.118479
BFGS:    4 16:53:19       -7.063208         0.116643
BFGS:    5 16:53:19       -7.063771         0.060894
BFGS:    6 16:53:19       -7.063831         0.039378
BFGS:    7 16:53:19       -7.063857         0.004584
BFGS:    8 16:53:19       -7.063858         0.000703
BFGS:    9 16:53:19       -7.063858         0.000001
BFGS:   10 16:53:19       -7.063858         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7513646450795226e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.608877599325703, -1.3695267190016232e-17, -4.2882391799604406e-38], [-1.3044387996628515, 2.2593542763802192, -5.06764587080106e-35], [-3.136413967384217e-35, -4.980559624430299e-35, 2.5634492187333002]])
forces =  [[0. 0. 0.]]
stress =  [-6.02992433e-12 -6.02992433e-12 -1.75136465e-10  6.03122297e-45
  3.41456490e-45 -1.71369431e-27]
energy per atom =  -7.063857618788332
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0