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:
Exp6_KongChakrabarty_1973_ArNe__MO_946046425752_002
==== 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 16:59:00       -0.127605         0.096574
BFGS:    1 16:59:00       -0.127993         0.096611
BFGS:    2 16:59:00       -0.142101         0.094644
BFGS:    3 16:59:00       -0.155379         0.083291
BFGS:    4 16:59:00       -0.165968         0.057096
BFGS:    5 16:59:00       -0.170938         0.006304
BFGS:    6 16:59:00       -0.170964         0.004102
BFGS:    7 16:59:00       -0.170968         0.002067
BFGS:    8 16:59:00       -0.170968         0.002062
BFGS:    9 16:59:00       -0.170972         0.000644
BFGS:   10 16:59:00       -0.170972         0.000151
BFGS:   11 16:59:00       -0.170972         0.000005
BFGS:   12 16:59:00       -0.170972         0.000000
BFGS:   13 16:59:00       -0.170972         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.782648281918947e-11 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([[3.701825818686472, 1.4698298831430217e-16, -8.037752389643078e-39], [-1.850912909343236, 3.205875199367611, -1.0129237155380064e-38], [-1.0522596131814812e-38, 3.443980297809477e-37, 6.039414806385934]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.59210155e-11 1.59210155e-11 8.78264828e-11 3.97886318e-35
 2.29719773e-35 5.03726393e-28]
energy per atom =  -0.08548606413789028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0