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 10:54:56       -6.939036         1.867536
BFGS:    1 10:54:56       -7.022737         1.177169
BFGS:    2 10:54:57       -7.060868         0.181753
BFGS:    3 10:54:57       -7.062840         0.118479
BFGS:    4 10:54:57       -7.063208         0.116643
BFGS:    5 10:54:57       -7.063771         0.060894
BFGS:    6 10:54:57       -7.063831         0.039378
BFGS:    7 10:54:57       -7.063857         0.004584
BFGS:    8 10:54:57       -7.063858         0.000703
BFGS:    9 10:54:57       -7.063858         0.000001
BFGS:   10 10:54:57       -7.063858         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7513643970968994e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6088775993257034, -1.8457785591804582e-17, -8.159108271820832e-37], [-1.3044387996628517, 2.2593542763802184, 1.0797620568542577e-35], [-1.550963504974715e-35, -4.410364448665246e-35, 2.5634492187333002]])
forces =  [[0. 0. 0.]]
stress =  [-6.03032455e-12 -6.03032455e-12 -1.75136440e-10  3.30948604e-45
  8.12134452e-46  5.62662481e-28]
energy per atom =  -7.0638576187883295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0