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 10:52:36       13.059451        55.931656
BFGS:    1 10:52:36        8.109621        43.149185
BFGS:    2 10:52:36        4.195533        33.137517
BFGS:    3 10:52:36        1.070194        25.290389
BFGS:    4 10:52:36       -0.904605        20.465043
BFGS:    5 10:52:36       -2.232465        17.351834
BFGS:    6 10:52:36       -3.226728        15.143688
BFGS:    7 10:52:37       -4.026206        13.479865
BFGS:    8 10:52:37       -4.703054        12.169898
BFGS:    9 10:52:37       -5.299275        11.110740
BFGS:   10 10:52:37       -5.840331        10.232678
BFGS:   11 10:52:37       -6.344025         9.488462
BFGS:   12 10:52:37       -6.822270         8.847417
BFGS:   13 10:52:37       -7.283830         8.287014
BFGS:   14 10:52:37       -7.735995         7.787610
BFGS:   15 10:52:37       -8.208358         7.242117
BFGS:   16 10:52:38       -9.127704         6.684354
BFGS:   17 10:52:38       -9.561690         6.875300
BFGS:   18 10:52:38      -10.019566         7.050898
BFGS:   19 10:52:38      -10.567705         7.190746
BFGS:   20 10:52:38      -11.028130         7.203815
BFGS:   21 10:52:38      -11.486866         7.085136
BFGS:   22 10:52:38      -11.901036         6.606814
BFGS:   23 10:52:38      -12.236969         5.599767
BFGS:   24 10:52:39      -12.478464         3.743674
BFGS:   25 10:52:39      -12.589268         0.498596
BFGS:   26 10:52:39      -12.591278         0.160990
BFGS:   27 10:52:39      -12.591590         0.149560
BFGS:   28 10:52:39      -12.591907         0.120543
BFGS:   29 10:52:39      -12.592173         0.145073
BFGS:   30 10:52:40      -12.592472         0.121643
BFGS:   31 10:52:40      -12.592561         0.045779
BFGS:   32 10:52:40      -12.592573         0.004614
BFGS:   33 10:52:40      -12.592574         0.000257
BFGS:   34 10:52:40      -12.592574         0.000021
BFGS:   35 10:52:40      -12.592574         0.000001
BFGS:   36 10:52:41      -12.592574         0.000000
Minimization converged after 36 steps.
Maximum force component: 7.93337149812913e-31 eV/Angstrom
Maximum stress component: 5.429724226470172e-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([[6.436315610519628, -1.0678281216666595e-16, -2.8080073661940833e-35], [-3.218157805259814, 5.574012825484345, -1.779883652400879e-35], [-3.21011561545627e-34, 1.6059275557801715e-34, 3.840341687433531]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.28891433e-32 -2.74820050e-31  1.33903523e-66]
 [ 7.93337150e-31 -4.58033417e-31 -8.44840212e-67]]
stress =  [ 4.06924000e-11  4.06924000e-11 -5.42972423e-11 -4.79845452e-35
  8.31116703e-35 -5.03883614e-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