element(s):
['K']
AFLOW prototype label:
A_hP3_191_ad
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:
['5.4143', '1.1679996']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K', 'K']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[5.4143, 0, 0], [-2.70715, 4.6889213437101, 0], [0, 0, 6.3239]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:19:26       13.059451        55.931656
BFGS:    1 15:19:26        8.109621        43.149185
BFGS:    2 15:19:26        4.195533        33.137517
BFGS:    3 15:19:26        1.070194        25.290389
BFGS:    4 15:19:26       -0.904605        20.465043
BFGS:    5 15:19:26       -2.232465        17.351834
BFGS:    6 15:19:26       -3.226728        15.143688
BFGS:    7 15:19:26       -4.026206        13.479865
BFGS:    8 15:19:26       -4.703054        12.169898
BFGS:    9 15:19:26       -5.299275        11.110740
BFGS:   10 15:19:26       -5.840331        10.232678
BFGS:   11 15:19:26       -6.344025         9.488462
BFGS:   12 15:19:26       -6.822270         8.847417
BFGS:   13 15:19:26       -7.283830         8.287014
BFGS:   14 15:19:26       -7.735995         7.787610
BFGS:   15 15:19:26       -8.208358         7.242117
BFGS:   16 15:19:26       -9.127704         6.684354
BFGS:   17 15:19:26       -9.561690         6.875300
BFGS:   18 15:19:26      -10.019566         7.050898
BFGS:   19 15:19:26      -10.567705         7.190746
BFGS:   20 15:19:26      -11.028130         7.203815
BFGS:   21 15:19:26      -11.486866         7.085136
BFGS:   22 15:19:26      -11.901036         6.606814
BFGS:   23 15:19:26      -12.236969         5.599767
BFGS:   24 15:19:26      -12.478464         3.743674
BFGS:   25 15:19:26      -12.589268         0.498596
BFGS:   26 15:19:26      -12.591278         0.160990
BFGS:   27 15:19:26      -12.591590         0.149560
BFGS:   28 15:19:26      -12.591907         0.120543
BFGS:   29 15:19:26      -12.592173         0.145073
BFGS:   30 15:19:26      -12.592472         0.121643
BFGS:   31 15:19:26      -12.592561         0.045779
BFGS:   32 15:19:26      -12.592573         0.004614
BFGS:   33 15:19:26      -12.592574         0.000257
BFGS:   34 15:19:26      -12.592574         0.000021
BFGS:   35 15:19:26      -12.592574         0.000001
BFGS:   36 15:19:26      -12.592574         0.000000
Minimization converged after 36 steps.
Maximum force component: 2.5386788794013226e-30 eV/Angstrom
Maximum stress component: 5.4297489246840046e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[6.436315610519631, -1.857244609335648e-16, -3.1081614015416054e-35], [-3.2181578052598154, 5.5740128254843455, -5.725553062317266e-35], [5.840122133690733e-35, -4.806575022562887e-35, 3.8403416874335305]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.53867888e-30 -1.46570693e-30  6.88252652e-66]
 [-1.26933944e-30  7.32853467e-31  6.16352421e-35]]
stress =  [ 4.06929963e-11  4.06929963e-11 -5.42974892e-11 -1.19961363e-34
 -6.43432174e-46 -1.89771796e-27]
energy per atom =  -4.197524521644383
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0