element(s):
['K']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3232', '3.6688101']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.3232, 0, 0], [0, 4.3232, 0], [0, 0, 15.861]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:12:18       -2.576991        0.1404
BFGS:    1 17:12:19       -2.577340        0.1359
BFGS:    2 17:12:19       -2.582380        0.0184
BFGS:    3 17:12:19       -2.582528        0.0085
BFGS:    4 17:12:19       -2.582530        0.0084
BFGS:    5 17:12:19       -2.582565        0.0059
BFGS:    6 17:12:19       -2.582581        0.0031
BFGS:    7 17:12:19       -2.582587        0.0015
BFGS:    8 17:12:19       -2.582588        0.0003
BFGS:    9 17:12:19       -2.582588        0.0000
BFGS:   10 17:12:19       -2.582588        0.0000
BFGS:   11 17:12:19       -2.582588        0.0000
BFGS:   12 17:12:19       -2.582588        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.3540816756266504e-33 eV/Angstrom
Maximum stress component: 4.193898920261923e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 3.58727962e-33 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.50399449e-33 7.50000000e-01]]
cellpar =  Cell([[4.353846936906374, -6.979899010621016e-38, -9.632286309058894e-41], [-1.1025271325439348e-37, 4.353846936906372, 9.956771962981507e-19], [-3.876357984095213e-38, 3.578810544776258e-18, 15.626979422553225]])
forces =  [[ 2.93482147e-33  2.62037631e-34  5.99251415e-53]
 [ 1.67704084e-33 -2.68855930e-71 -3.71022173e-74]
 [ 2.62037631e-34  4.19260209e-34  9.58802264e-53]
 [-2.09630105e-34  3.35408168e-33  7.67041811e-52]]
stress =  [-5.23149207e-13 -5.23149207e-13 -4.19389892e-12  1.67120633e-27
 -2.47685362e-36  9.86989323e-52]
energy per atom =  -0.645646997108205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0