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_1958HighCutoff_Ar__MO_242741380554_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 16:46:44       -0.284232        0.0878
BFGS:    1 16:46:44       -0.284562        0.0878
BFGS:    2 16:46:44       -0.297643        0.0864
BFGS:    3 16:46:44       -0.310384        0.0831
BFGS:    4 16:46:44       -0.322476        0.0776
BFGS:    5 16:46:44       -0.333494        0.0688
BFGS:    6 16:46:44       -0.342901        0.0559
BFGS:    7 16:46:44       -0.350019        0.0379
BFGS:    8 16:46:45       -0.353956        0.0133
BFGS:    9 16:46:45       -0.354372        0.0034
BFGS:   10 16:46:45       -0.354399        0.0002
BFGS:   11 16:46:45       -0.354399        0.0000
BFGS:   12 16:46:45       -0.354399        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.813126678062132e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.24040220e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.81403405e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.93801135e-34]]
cellpar =  Cell([[5.244172915257962, -1.5044736334361025e-32, -8.870777547906415e-33], [2.311622477273581e-33, 5.2441729152579635, 1.6125846931630033e-17], [2.4378889776281682e-32, 1.612584693163001e-17, 5.244172915257961]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.81312668e-11 -7.81312668e-11 -7.81312668e-11 -1.56383162e-27
 -4.66869196e-36 -5.22448588e-52]
energy per atom =  -0.08859967288551203
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0