element(s):
['K']
AFLOW prototype label:
A_tP4_123_l
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.6836', '0.43686232', '0.29480938']
model name:
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_K__MO_836927321152_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.29480938 0.         0.        ]]
spacegroup =  123
cell =  [[9.6836, 0, 0], [0, 9.6836, 0], [0, 0, 4.2304]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:57:25       -1.833069         0.362630
BFGS:    1 09:57:25       -1.837885         0.355699
BFGS:    2 09:57:25       -1.877658         0.292174
BFGS:    3 09:57:25       -1.906242         0.234265
BFGS:    4 09:57:25       -1.924711         0.181551
BFGS:    5 09:57:25       -1.934282         0.133174
BFGS:    6 09:57:25       -1.936850         0.102029
BFGS:    7 09:57:25       -1.937876         0.093385
BFGS:    8 09:57:25       -1.942714         0.107041
BFGS:    9 09:57:25       -1.948450         0.104042
BFGS:   10 09:57:25       -1.955160         0.084041
BFGS:   11 09:57:25       -1.961701         0.049253
BFGS:   12 09:57:25       -1.963654         0.053514
BFGS:   13 09:57:25       -1.964012         0.046301
BFGS:   14 09:57:25       -1.964152         0.038849
BFGS:   15 09:57:25       -1.964276         0.035253
BFGS:   16 09:57:25       -1.964596         0.034226
BFGS:   17 09:57:25       -1.965187         0.029153
BFGS:   18 09:57:25       -1.966038         0.017666
BFGS:   19 09:57:25       -1.966686         0.012037
BFGS:   20 09:57:25       -1.966857         0.004549
BFGS:   21 09:57:25       -1.966871         0.000741
BFGS:   22 09:57:25       -1.966871         0.000048
BFGS:   23 09:57:25       -1.966871         0.000002
BFGS:   24 09:57:25       -1.966871         0.000000
BFGS:   25 09:57:25       -1.966871         0.000000
BFGS:   26 09:57:25       -1.966871         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.203703073290822e-09 eV/Angstrom
Maximum stress component: 1.766305988816225e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[3.01745667e-01 0.00000000e+00 7.52316385e-36]
 [6.98254333e-01 0.00000000e+00 5.80282801e-35]
 [0.00000000e+00 3.01745667e-01 0.00000000e+00]
 [0.00000000e+00 6.98254333e-01 2.64467509e-33]]
cellpar =  Cell([[10.4106244460278, 3.0256721322134666e-35, 6.817866573403253e-32], [-3.0649600836076964e-35, 10.410624446027802, 3.719641573738516e-17], [2.2688694048306868e-33, 1.7532380457512043e-17, 4.660667658048335]])
forces =  [[ 2.20370307e-09  2.00501334e-33 -5.61007318e-35]
 [-2.20370307e-09  2.00501334e-33  1.12201478e-34]
 [ 1.00250667e-33  2.20370307e-09  7.87367324e-27]
 [ 5.01253334e-34 -2.20370307e-09 -7.87367325e-27]]
stress =  [-8.19434199e-13 -8.19434199e-13 -1.76630599e-12  7.25987592e-29
 -4.96164380e-37 -6.82186902e-53]
energy per atom =  -0.49171778989291326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0