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_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_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 15:12:43       -0.300493         0.097475
BFGS:    1 15:12:43       -0.300900         0.097415
BFGS:    2 15:12:43       -0.315313         0.094563
BFGS:    3 15:12:43       -0.329192         0.090142
BFGS:    4 15:12:43       -0.342224         0.083097
BFGS:    5 15:12:43       -0.353940         0.072429
BFGS:    6 15:12:43       -0.363726         0.057221
BFGS:    7 15:12:43       -0.370836         0.036614
BFGS:    8 15:12:43       -0.374398         0.009780
BFGS:    9 15:12:43       -0.374623         0.001709
BFGS:   10 15:12:43       -0.374630         0.000061
BFGS:   11 15:12:43       -0.374630         0.000000
BFGS:   12 15:12:43       -0.374630         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8937761349470393e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ar', 'Ar', 'Ar', 'Ar']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.30257998e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.86629870e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.86629870e-34]]
cellpar =  Cell([[5.252865678841457, -3.207848164989547e-33, 2.0420617468492145e-32], [-1.6586661141366758e-33, 5.252865678841457, 3.968007761926846e-17], [-1.476736245456078e-32, 3.9680077619268493e-17, 5.252865678841457]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.89377613e-12 -1.89377613e-12 -1.89377613e-12 -6.15344684e-28
 -1.16331317e-36 -9.58041873e-53]
energy per atom =  -0.09365754446847355
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0