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_1958LowCutoff_Ar__MO_720819638419_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 15:03:12       -0.258918         0.082511
BFGS:    1 15:03:12       -0.259209         0.082486
BFGS:    2 15:03:12       -0.271463         0.080619
BFGS:    3 15:03:12       -0.283300         0.076837
BFGS:    4 15:03:12       -0.294390         0.070567
BFGS:    5 15:03:12       -0.304310         0.061086
BFGS:    6 15:03:12       -0.312510         0.047479
BFGS:    7 15:03:12       -0.318290         0.028587
BFGS:    8 15:03:12       -0.320852         0.003907
BFGS:    9 15:03:12       -0.320888         0.000873
BFGS:   10 15:03:12       -0.320890         0.000016
BFGS:   11 15:03:12       -0.320890         0.000000
BFGS:   12 15:03:12       -0.320890         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2853099226872723e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.38846065e-34]]
cellpar =  Cell([[5.266347625378899, -3.808921467970164e-32, -8.347554197489816e-33], [-1.8394742303223825e-32, 5.266347625378899, -9.178277303174885e-18], [-5.4545196036108185e-34, -9.178277303174913e-18, 5.266347625378899]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.28530992e-13 -1.28530992e-13 -1.28530992e-13 -1.34010658e-29
  1.44670573e-37  1.07737837e-53]
energy per atom =  -0.08022257030270809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0