element(s):
['Ar']
AFLOW prototype label:
A_hP2_194_c
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:
['4.1181', '1.6316262']
model name:
LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.1181, 0, 0], [-2.05905, 3.5663792153247, 0], [0, 0, 6.7192]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:00:45       -0.126337         0.082797
BFGS:    1 18:00:45       -0.126629         0.082778
BFGS:    2 18:00:45       -0.138768         0.078806
BFGS:    3 18:00:45       -0.149687         0.065797
BFGS:    4 18:00:45       -0.157763         0.038888
BFGS:    5 18:00:45       -0.160098         0.013389
BFGS:    6 18:00:45       -0.160274         0.003421
BFGS:    7 18:00:45       -0.160286         0.000405
BFGS:    8 18:00:45       -0.160286         0.000449
BFGS:    9 18:00:45       -0.160286         0.000451
BFGS:   10 18:00:45       -0.160286         0.000359
BFGS:   11 18:00:45       -0.160286         0.000186
BFGS:   12 18:00:45       -0.160286         0.000034
BFGS:   13 18:00:45       -0.160286         0.000005
BFGS:   14 18:00:45       -0.160286         0.000000
BFGS:   15 18:00:45       -0.160286         0.000000
BFGS:   16 18:00:45       -0.160286         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1244858950197437e-33 eV/Angstrom
Maximum stress component: 6.152195408659098e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.72350440609186, 1.7380686441053338e-18, 1.8258429575463462e-37], [-1.86175220304593, 3.2246494067788376, 7.176184690218049e-37], [-1.2388318778577778e-36, 1.4716124584156616e-36, 6.083721861467773]])
forces =  [[ 1.67328201e-33 -1.24208977e-33 -3.12448590e-33]
 [-1.67328201e-33  1.24208977e-33  3.12448590e-33]]
stress =  [ 6.15219541e-12  6.15219541e-12  5.71716770e-12  2.97817930e-47
  1.23014745e-47 -9.05196034e-28]
energy per atom =  -0.08014322085271401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0