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 16:47:54       -0.297823        0.0975
BFGS:    1 16:47:54       -0.298230        0.0974
BFGS:    2 16:47:54       -0.312727        0.0952
BFGS:    3 16:47:54       -0.326646        0.0900
BFGS:    4 16:47:54       -0.339591        0.0821
BFGS:    5 16:47:54       -0.351113        0.0709
BFGS:    6 16:47:54       -0.360661        0.0557
BFGS:    7 16:47:54       -0.367562        0.0355
BFGS:    8 16:47:54       -0.371000        0.0093
BFGS:    9 16:47:54       -0.371206        0.0017
BFGS:   10 16:47:54       -0.371213        0.0001
BFGS:   11 16:47:54       -0.371213        0.0000
BFGS:   12 16:47:54       -0.371213        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.17899560243354e-12 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([[5.253563607920281, 1.7399818540799407e-32, 5.833668855667733e-33], [-6.11000130302897e-34, 5.253563607920281, 3.093001725606157e-17], [-3.086359597514513e-32, 3.0930017256061603e-17, 5.253563607920281]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.17899560e-12 -2.17899560e-12 -2.17899560e-12 -5.03885414e-28
  1.45375512e-37  1.80183378e-54]
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