element(s):
['Ar']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7835']
model name:
LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ar']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.7835, 0, 0], [0, 5.7835, 0], [0, 0, 5.7835]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:47       -0.278040         0.086105
BFGS:    1 16:12:47       -0.278358         0.086087
BFGS:    2 16:12:47       -0.291202         0.084820
BFGS:    3 16:12:47       -0.303697         0.081427
BFGS:    4 16:12:47       -0.315508         0.075588
BFGS:    5 16:12:47       -0.326226         0.066859
BFGS:    6 16:12:48       -0.335333         0.053808
BFGS:    7 16:12:48       -0.342108         0.035533
BFGS:    8 16:12:48       -0.345694         0.011433
BFGS:    9 16:12:48       -0.345998         0.003219
BFGS:   10 16:12:48       -0.346022         0.000175
BFGS:   11 16:12:48       -0.346022         0.000002
BFGS:   12 16:12:48       -0.346022         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.940582215212327e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [1.6295765e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[5.24850908682192, 1.6770112092235806e-33, 7.5040370449036305e-34], [2.759223944904068e-33, 5.24850908682192, 3.859789326386081e-18], [-4.382403187543537e-34, 3.85978932638608e-18, 5.24850908682192]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.94058222e-11 -4.94058222e-11 -4.94058222e-11  1.38440769e-27
  8.41322024e-60 -2.46715990e-60]
energy per atom =  -0.08650550849505426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0