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 15:13:44       13.059451       55.9317
BFGS:    1 15:13:44        8.109621       43.1492
BFGS:    2 15:13:44        4.195533       33.1375
BFGS:    3 15:13:44        1.070194       25.2904
BFGS:    4 15:13:44       -0.904605       20.4650
BFGS:    5 15:13:44       -2.232465       17.3518
BFGS:    6 15:13:44       -3.226728       15.1437
BFGS:    7 15:13:44       -4.026206       13.4799
BFGS:    8 15:13:44       -4.703054       12.1699
BFGS:    9 15:13:44       -5.299275       11.1107
BFGS:   10 15:13:44       -5.840331       10.2327
BFGS:   11 15:13:44       -6.344025        9.4885
BFGS:   12 15:13:44       -6.822270        8.8474
BFGS:   13 15:13:44       -7.283830        8.2870
BFGS:   14 15:13:44       -7.735995        7.7876
BFGS:   15 15:13:44       -8.208358        7.2421
BFGS:   16 15:13:44       -9.127704        6.6844
BFGS:   17 15:13:44       -9.561690        6.8753
BFGS:   18 15:13:44      -10.019566        7.0509
BFGS:   19 15:13:44      -10.567705        7.1907
BFGS:   20 15:13:44      -11.028130        7.2038
BFGS:   21 15:13:44      -11.486866        7.0851
BFGS:   22 15:13:44      -11.901036        6.6068
BFGS:   23 15:13:44      -12.236969        5.5998
BFGS:   24 15:13:44      -12.478464        3.7437
BFGS:   25 15:13:44      -12.589268        0.4986
BFGS:   26 15:13:44      -12.591278        0.1610
BFGS:   27 15:13:44      -12.591590        0.1496
BFGS:   28 15:13:44      -12.591907        0.1205
BFGS:   29 15:13:44      -12.592173        0.1451
BFGS:   30 15:13:44      -12.592472        0.1216
BFGS:   31 15:13:44      -12.592561        0.0458
BFGS:   32 15:13:44      -12.592573        0.0046
BFGS:   33 15:13:44      -12.592574        0.0003
BFGS:   34 15:13:44      -12.592574        0.0000
BFGS:   35 15:13:44      -12.592574        0.0000
BFGS:   36 15:13:44      -12.592574        0.0000
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