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 17:23:34       -3.098880         0.102209
BFGS:    1 17:23:34       -3.099262         0.100500
BFGS:    2 17:23:34       -3.109199         0.047035
BFGS:    3 17:23:34       -3.112258         0.006665
BFGS:    4 17:23:34       -3.112259         0.006750
BFGS:    5 17:23:34       -3.112268         0.006691
BFGS:    6 17:23:34       -3.112278         0.005545
BFGS:    7 17:23:34       -3.112294         0.011804
BFGS:    8 17:23:34       -3.112202         0.013305
BFGS:    9 17:23:34       -3.112318         0.007891
BFGS:   10 17:23:34       -3.112330         0.007909
BFGS:   11 17:23:34       -3.112387         0.004561
BFGS:   12 17:23:34       -3.112397         0.001788
BFGS:   13 17:23:34       -3.112399         0.000181
BFGS:   14 17:23:34       -3.112399         0.000023
BFGS:   15 17:23:34       -3.112399         0.000001
BFGS:   16 17:23:35       -3.112399         0.000000
BFGS:   17 17:23:35       -3.112399         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.9875530570312642e-33 eV/Angstrom
Maximum stress component: 2.84391772976068e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[4.98256779e-34 0.00000000e+00 3.00033254e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.97852766e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 4.17161886e-33 7.50000000e-01]]
cellpar =  Cell([[4.432074957922729, 2.188381535468905e-37, -8.323020692987998e-40], [-4.348488185716644e-37, 4.43207495792273, 1.550927239430087e-17], [-2.0472327544394174e-38, 5.666165460999808e-17, 16.234719742821817]])
forces =  [[ 1.70717318e-33  8.42933906e-71 -3.20591096e-73]
 [-1.60047485e-34 -2.98755306e-33  1.05037353e-33]
 [ 1.70717318e-33 -1.28037988e-33 -4.48046582e-51]
 [ 8.53586588e-34  4.21466953e-71 -1.60295548e-73]]
stress =  [-2.84391773e-12 -2.84391773e-12  1.84368617e-12  4.17894911e-28
  5.35326310e-36  1.87987475e-51]
energy per atom =  -0.7780997926349595
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0