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_1958MedCutoff_Ar__MO_126566794224_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 18:00:47       -0.135548         0.086970
BFGS:    1 18:00:47       -0.135872         0.086968
BFGS:    2 18:00:47       -0.148768         0.083995
BFGS:    3 18:00:47       -0.160614         0.072215
BFGS:    4 18:00:47       -0.169672         0.045564
BFGS:    5 18:00:47       -0.173031         0.006454
BFGS:    6 18:00:47       -0.173065         0.002005
BFGS:    7 18:00:47       -0.173069         0.000604
BFGS:    8 18:00:47       -0.173069         0.000642
BFGS:    9 18:00:47       -0.173069         0.000694
BFGS:   10 18:00:47       -0.173069         0.000714
BFGS:   11 18:00:47       -0.173069         0.000622
BFGS:   12 18:00:47       -0.173069         0.000361
BFGS:   13 18:00:47       -0.173069         0.000111
BFGS:   14 18:00:47       -0.173069         0.000025
BFGS:   15 18:00:47       -0.173069         0.000003
BFGS:   16 18:00:47       -0.173069         0.000000
BFGS:   17 18:00:47       -0.173069         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.5019402315507274e-33 eV/Angstrom
Maximum stress component: 1.5635757407783343e-10 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([[3.71166182986364, 2.8763219624357765e-17, -1.5567514752480602e-37], [-1.85583091493182, 3.214393434918947, -4.583443202988779e-37], [-6.5357346278109265e-37, -1.9267897585164552e-36, 6.061239298981768]])
forces =  [[ 1.54882014e-33 -1.44449587e-33  1.75990502e-70]
 [-2.50194023e-33  1.44449587e-33 -1.36014579e-70]]
stress =  [ 1.35686216e-10  1.35686216e-10  1.56357574e-10 -2.63602033e-35
  4.20056672e-47  6.64509997e-27]
energy per atom =  -0.08653448959610044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0