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 15:03:12       -0.278040         0.086105
BFGS:    1 15:03:12       -0.278358         0.086087
BFGS:    2 15:03:12       -0.291202         0.084820
BFGS:    3 15:03:12       -0.303697         0.081427
BFGS:    4 15:03:12       -0.315508         0.075588
BFGS:    5 15:03:12       -0.326226         0.066859
BFGS:    6 15:03:12       -0.335333         0.053808
BFGS:    7 15:03:12       -0.342108         0.035533
BFGS:    8 15:03:12       -0.345694         0.011433
BFGS:    9 15:03:12       -0.345998         0.003219
BFGS:   10 15:03:12       -0.346022         0.000175
BFGS:   11 15:03:12       -0.346022         0.000002
BFGS:   12 15:03:12       -0.346022         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.9405812613120035e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.86647540e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17423362e-33]]
cellpar =  Cell([[5.248509086821921, 4.332486045903639e-32, 5.008510833156526e-32], [-4.007290756185906e-33, 5.248509086821921, 5.943821739860862e-17], [2.1957126564630063e-32, 5.943821739860864e-17, 5.248509086821921]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.94058126e-11 -4.94058126e-11 -4.94058126e-11  1.27878314e-26
 -4.95229217e-36  6.54983903e-52]
energy per atom =  -0.08650550849505427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0