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:
Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_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 15:12:43       -0.297823         0.097475
BFGS:    1 15:12:43       -0.298230         0.097415
BFGS:    2 15:12:43       -0.312727         0.095183
BFGS:    3 15:12:43       -0.326646         0.089997
BFGS:    4 15:12:43       -0.339591         0.082112
BFGS:    5 15:12:43       -0.351113         0.070909
BFGS:    6 15:12:43       -0.360661         0.055651
BFGS:    7 15:12:43       -0.367562         0.035457
BFGS:    8 15:12:43       -0.371000         0.009279
BFGS:    9 15:12:43       -0.371206         0.001665
BFGS:   10 15:12:43       -0.371213         0.000061
BFGS:   11 15:12:43       -0.371213         0.000000
BFGS:   12 15:12:43       -0.371213         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1790038808680044e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.08385109e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.86551937e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17310387e-33]]
cellpar =  Cell([[5.25356360792028, 2.293130272034624e-33, 4.977315568974342e-32], [4.6787106705323504e-32, 5.25356360792028, 4.0227797380647667e-17], [7.031351954591779e-32, 4.022779738064767e-17, 5.25356360792028]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.17900388e-12 -2.17900388e-12 -2.17900388e-12  7.57722272e-28
 -1.62411705e-37  1.89607415e-53]
energy per atom =  -0.09280316026641447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0