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 17:12:19       -3.521432        0.0208
BFGS:    1 17:12:19       -3.521450        0.0205
BFGS:    2 17:12:19       -3.522145        0.0005
BFGS:    3 17:12:19       -3.522145        0.0005
BFGS:    4 17:12:19       -3.522145        0.0002
BFGS:    5 17:12:19       -3.522145        0.0001
BFGS:    6 17:12:20       -3.522145        0.0000
BFGS:    7 17:12:20       -3.522145        0.0000
BFGS:    8 17:12:20       -3.522145        0.0000
BFGS:    9 17:12:20       -3.522145        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.62258630410234e-33 eV/Angstrom
Maximum stress component: 2.183813364867193e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[8.38380754e-34 0.00000000e+00 5.83911220e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.35294211e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.83707627e-33 7.50000000e-01]]
cellpar =  Cell([[4.298304257770795, -2.5862008233110437e-39, -1.7217994547046607e-43], [4.293042380386103e-39, 4.298304257770794, 1.7762127047597867e-19], [-3.424335647891609e-40, 6.516157623072236e-19, 15.772274107602076]])
forces =  [[-5.79476302e-33  2.22477509e-33  9.19356457e-53]
 [-3.72520480e-33  6.62258630e-33 -1.32896291e-33]
 [-8.27823288e-34  4.98084161e-73  3.31606513e-77]
 [ 4.13911644e-34  5.38085137e-33  2.22355980e-52]]
stress =  [-2.18381336e-11 -2.18381336e-11 -2.25531848e-12  5.08441628e-28
  1.13634186e-35 -5.89090434e-51]
energy per atom =  -0.8805362522812272
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0