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_1959HighCutoff_K__MO_836927321152_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       -3.521432         0.020809
BFGS:    1 17:23:34       -3.521450         0.020535
BFGS:    2 17:23:34       -3.522145         0.000467
BFGS:    3 17:23:34       -3.522145         0.000456
BFGS:    4 17:23:34       -3.522145         0.000179
BFGS:    5 17:23:34       -3.522145         0.000076
BFGS:    6 17:23:35       -3.522145         0.000014
BFGS:    7 17:23:35       -3.522145         0.000002
BFGS:    8 17:23:35       -3.522145         0.000000
BFGS:    9 17:23:35       -3.522145         0.000000
Minimization converged after 9 steps.
Maximum force component: 5.315851624110006e-33 eV/Angstrom
Maximum stress component: 2.1838142290222757e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 0.00000000e+00 3.69533661e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.13626067e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.298304257770793, -2.9107102119444e-39, 4.734948497698292e-43], [2.525118307561077e-39, 4.298304257770794, 6.015192602504458e-19], [9.416923031701977e-40, 2.2066358378483918e-18, 15.772274107602083]])
forces =  [[ 3.64236724e-73  4.65650600e-34  1.51881475e-33]
 [-2.06955822e-34  7.43719556e-52  5.31585162e-33]
 [-1.55216867e-34 -4.13911644e-34 -2.65792581e-33]
 [-6.36785083e-73 -6.20867466e-34 -4.55644425e-33]]
stress =  [-2.18381423e-11 -2.18381423e-11 -2.25530362e-12  2.43217649e-27
  1.76520079e-36 -5.23143573e-52]
energy per atom =  -0.8805362522812268
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0