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 18:00:47       -0.138591         0.088505
BFGS:    1 18:00:47       -0.138927         0.088510
BFGS:    2 18:00:47       -0.152069         0.085694
BFGS:    3 18:00:47       -0.164180         0.074046
BFGS:    4 18:00:47       -0.173521         0.047644
BFGS:    5 18:00:47       -0.177202         0.004097
BFGS:    6 18:00:47       -0.177215         0.001338
BFGS:    7 18:00:47       -0.177216         0.000493
BFGS:    8 18:00:47       -0.177216         0.000507
BFGS:    9 18:00:47       -0.177216         0.000551
BFGS:   10 18:00:47       -0.177216         0.000509
BFGS:   11 18:00:47       -0.177217         0.000315
BFGS:   12 18:00:47       -0.177217         0.000097
BFGS:   13 18:00:47       -0.177217         0.000024
BFGS:   14 18:00:47       -0.177217         0.000002
BFGS:   15 18:00:47       -0.177217         0.000000
BFGS:   16 18:00:47       -0.177217         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.219362030704338e-33 eV/Angstrom
Maximum stress component: 1.9263637027274048e-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([[3.7084063019908196, 1.8010487825037777e-17, 1.5776682792569818e-37], [-1.8542031509954098, 3.2115740650783553, -3.8730762002894954e-38], [8.901479287455136e-37, -1.852948556692653e-36, 6.054895112646923]])
forces =  [[ 2.38071025e-34 -4.12351111e-34 -6.21936203e-33]
 [-1.19035512e-34  2.06175555e-34  6.21936203e-33]]
stress =  [ 1.32597456e-10  1.32597456e-10  1.92636370e-10  1.65068676e-35
 -5.71814668e-36  6.04814749e-27]
energy per atom =  -0.08860830690090635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0