element(s):
['K']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2674']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[5.2674, 0, 0], [0, 5.2674, 0], [0, 0, 5.2674]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:58:27       -1.847021        0.0300
BFGS:    1 17:58:27       -1.847059        0.0291
BFGS:    2 17:58:27       -1.847808        0.0039
BFGS:    3 17:58:27       -1.847818        0.0009
BFGS:    4 17:58:27       -1.847819        0.0000
BFGS:    5 17:58:27       -1.847819        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.370406317599584e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.222351189838318, -2.8331123363388187e-32, 8.972284224151833e-33], [-4.706449190944143e-33, 5.222351189838318, 1.699116777851421e-18], [-1.395421157130141e-32, 1.699116777851442e-18, 5.222351189838318]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.37040632e-11 4.37040632e-11 4.37040632e-11 2.72577795e-27
 4.90158460e-59 5.33250268e-60]
energy per atom =  -0.9239094091272214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0