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 15:58:22       -1.847021         0.029953
BFGS:    1 15:58:22       -1.847059         0.029111
BFGS:    2 15:58:22       -1.847808         0.003928
BFGS:    3 15:58:22       -1.847818         0.000877
BFGS:    4 15:58:22       -1.847819         0.000004
BFGS:    5 15:58:22       -1.847819         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.370406317599582e-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, -9.540550664701282e-33, 1.5073883894834876e-34], [-5.28738080375463e-34, 5.222351189838318, 1.3183564147382013e-18], [4.649875932563649e-34, 1.3183564147382013e-18, 5.222351189838318]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.37040632e-11  4.37040632e-11  4.37040632e-11 -8.46878002e-29
 -1.77511520e-60 -3.50047847e-61]
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