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:
Exp6_KongChakrabarty_1973_ArNe__MO_946046425752_002
==== 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 16:46:42       -0.262837        0.0931
BFGS:    1 16:46:42       -0.263208        0.0931
BFGS:    2 16:46:42       -0.277377        0.0944
BFGS:    3 16:46:42       -0.291349        0.0915
BFGS:    4 16:46:42       -0.304685        0.0858
BFGS:    5 16:46:42       -0.316932        0.0768
BFGS:    6 16:46:42       -0.327509        0.0634
BFGS:    7 16:46:42       -0.335671        0.0444
BFGS:    8 16:46:42       -0.340471        0.0183
BFGS:    9 16:46:42       -0.341202        0.0052
BFGS:   10 16:46:42       -0.341257        0.0004
BFGS:   11 16:46:42       -0.341258        0.0000
BFGS:   12 16:46:42       -0.341258        0.0000
BFGS:   13 16:46:42       -0.341258        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2046470582272302e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[5.235186479507339, -1.1667945208969894e-33, -3.2206742990298324e-34], [3.5341682408024304e-34, 5.235186479507339, 2.0202768016624275e-17], [2.920471775418317e-34, 2.0202768016624272e-17, 5.235186479507339]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.20464706e-14  1.20464706e-14  1.20464706e-14 -1.15345088e-31
  3.65994825e-38 -2.37989262e-56]
energy per atom =  -0.08531439316860208
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0