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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_004
==== 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 17:12:19       -3.098880        0.1022
BFGS:    1 17:12:19       -3.099262        0.1005
BFGS:    2 17:12:19       -3.109199        0.0470
BFGS:    3 17:12:19       -3.112258        0.0067
BFGS:    4 17:12:19       -3.112259        0.0067
BFGS:    5 17:12:19       -3.112268        0.0067
BFGS:    6 17:12:19       -3.112278        0.0055
BFGS:    7 17:12:19       -3.112294        0.0118
BFGS:    8 17:12:19       -3.112202        0.0133
BFGS:    9 17:12:19       -3.112318        0.0079
BFGS:   10 17:12:19       -3.112330        0.0079
BFGS:   11 17:12:19       -3.112387        0.0046
BFGS:   12 17:12:19       -3.112397        0.0018
BFGS:   13 17:12:19       -3.112399        0.0002
BFGS:   14 17:12:19       -3.112399        0.0000
BFGS:   15 17:12:19       -3.112399        0.0000
BFGS:   16 17:12:19       -3.112399        0.0000
BFGS:   17 17:12:19       -3.112399        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.253386578287034e-33 eV/Angstrom
Maximum stress component: 2.8439285475323404e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[2.80454737e-33 4.84164255e-35 1.04000236e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.52959358e-32 7.50000000e-01]]
cellpar =  Cell([[4.432074957922729, 1.0216228413190567e-37, 3.230837443288556e-39], [-2.22682535388259e-37, 4.432074957922729, 1.5995373215947283e-17], [2.1712168482121598e-37, 5.894648781684432e-17, 16.23471974282181]])
forces =  [[ 3.00233605e-71  1.06698323e-33  6.25338658e-33]
 [-9.33610330e-35  4.26793294e-34  4.10378494e-33]
 [ 8.53586588e-34 -8.53586588e-34 -3.12669329e-33]
 [ 1.50104837e-70 -2.98755306e-33 -1.07820889e-50]]
stress =  [-2.84392855e-12 -2.84392855e-12  1.84367259e-12 -4.95132352e-29
 -4.28261048e-35  3.15236608e-51]
energy per atom =  -0.7780997926349601
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0