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_Smoothed_Bernardes_1958_Ar__MO_764178710049_001
==== 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 15:03:12       -0.230547         0.074254
BFGS:    1 15:03:12       -0.230783         0.074229
BFGS:    2 15:03:12       -0.241786         0.072195
BFGS:    3 15:03:12       -0.252344         0.068222
BFGS:    4 15:03:12       -0.262127         0.061734
BFGS:    5 15:03:12       -0.270703         0.052006
BFGS:    6 15:03:12       -0.277521         0.038118
BFGS:    7 15:03:12       -0.281878         0.019089
BFGS:    8 15:03:12       -0.282924         0.006408
BFGS:    9 15:03:12       -0.283029         0.000729
BFGS:   10 15:03:12       -0.283031         0.000024
BFGS:   11 15:03:12       -0.283031         0.000000
BFGS:   12 15:03:12       -0.283031         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.931870555550743e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.03432658e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.74682230e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.292160361545316, 5.670030256414582e-32, -5.9090956826008995e-33], [4.345567569618499e-32, 5.292160361545316, 4.8858444056318354e-17], [2.563831764243337e-32, 4.8858444056318304e-17, 5.292160361545315]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.93187056e-13  2.93187056e-13  2.93187056e-13 -3.04749939e-29
 -1.07447056e-36  1.17164846e-52]
energy per atom =  -0.07075768655770882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0