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_1958HighCutoff_Ar__MO_242741380554_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 14:46:01       -0.138591        0.0885
BFGS:    1 14:46:01       -0.138927        0.0885
BFGS:    2 14:46:01       -0.152069        0.0857
BFGS:    3 14:46:01       -0.164180        0.0740
BFGS:    4 14:46:01       -0.173521        0.0476
BFGS:    5 14:46:01       -0.177202        0.0041
BFGS:    6 14:46:01       -0.177215        0.0013
BFGS:    7 14:46:01       -0.177216        0.0005
BFGS:    8 14:46:01       -0.177216        0.0005
BFGS:    9 14:46:01       -0.177216        0.0006
BFGS:   10 14:46:01       -0.177216        0.0005
BFGS:   11 14:46:01       -0.177217        0.0003
BFGS:   12 14:46:01       -0.177217        0.0001
BFGS:   13 14:46:01       -0.177217        0.0000
BFGS:   14 14:46:01       -0.177217        0.0000
BFGS:   15 14:46:01       -0.177217        0.0000
BFGS:   16 14:46:01       -0.177217        0.0000
Minimization converged after 16 steps.
Maximum force component: 9.522840990611268e-34 eV/Angstrom
Maximum stress component: 1.9263636440314476e-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([[3.7084063019908178, 1.8177418892002907e-17, -2.2469891286063203e-38], [-1.8542031509954089, 3.211574065078354, -2.832634351213748e-37], [-3.1076233323663194e-37, -1.1748027024616452e-37, 6.054895112646924]])
forces =  [[ 9.52284099e-34 -4.12351111e-34  3.20421585e-71]
 [-9.52284099e-34  4.12351111e-34 -3.20421585e-71]]
stress =  [ 1.32597435e-10  1.32597435e-10  1.92636364e-10  5.77740367e-36
  1.00067567e-35 -6.80308628e-26]
energy per atom =  -0.08860830690090636
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0