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:
LJ_Truncated_Nguyen_2005_Ar__MO_398194508715_001
==== 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 16:46:44       -0.280081        0.0858
BFGS:    1 16:46:44       -0.280396        0.0858
BFGS:    2 16:46:44       -0.293172        0.0843
BFGS:    3 16:46:44       -0.305601        0.0810
BFGS:    4 16:46:44       -0.317850        0.0756
BFGS:    5 16:46:44       -0.328578        0.0668
BFGS:    6 16:46:44       -0.337701        0.0541
BFGS:    7 16:46:44       -0.344665        0.0362
BFGS:    8 16:46:44       -0.348352        0.0117
BFGS:    9 16:46:44       -0.349161        0.0026
BFGS:   10 16:46:44       -0.349176        0.0002
BFGS:   11 16:46:44       -0.349176        0.0000
BFGS:   12 16:46:44       -0.349176        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.1314119914445764e-11 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([[5.2468697129549176, -9.325100974715488e-32, 1.5569484282944984e-34], [-1.1574263036408137e-31, 5.246869712954916, 5.487640127940487e-18], [1.6227827088189198e-32, 5.487640127940465e-18, 5.246869712954918]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.13141199e-11 -5.13141199e-11 -5.13141199e-11  4.41420145e-27
 -5.82986743e-37  5.16013626e-53]
energy per atom =  -0.08729403908179967
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0