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 10:54:08       -0.127605         0.096574
BFGS:    1 10:54:09       -0.127993         0.096611
BFGS:    2 10:54:09       -0.142101         0.094644
BFGS:    3 10:54:09       -0.155379         0.083291
BFGS:    4 10:54:09       -0.165968         0.057096
BFGS:    5 10:54:09       -0.170938         0.006304
BFGS:    6 10:54:09       -0.170964         0.004102
BFGS:    7 10:54:09       -0.170968         0.002067
BFGS:    8 10:54:09       -0.170968         0.002062
BFGS:    9 10:54:09       -0.170972         0.000644
BFGS:   10 10:54:10       -0.170972         0.000151
BFGS:   11 10:54:10       -0.170972         0.000005
BFGS:   12 10:54:10       -0.170972         0.000000
BFGS:   13 10:54:10       -0.170972         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.752971462076047e-33 eV/Angstrom
Maximum stress component: 8.782648296440871e-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, 1.4523008285345308e-16, -4.3927108714726286e-39], [-1.850912909343236, 3.205875199367611, 2.096421837525956e-38], [-5.172674858240983e-37, -1.47243519348763e-36, 6.039414806385934]])
forces =  [[-4.75297146e-33  3.29295522e-33  2.49176832e-71]
 [ 2.85178288e-33 -1.64647761e-33 -1.30228452e-71]]
stress =  [1.59210166e-11 1.59210166e-11 8.78264830e-11 3.31571932e-35
 1.14859886e-35 7.87789277e-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