element(s):
['K']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7492', '1.8014613', '1.4161543', '0.65848443']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.         0.65848443 0.25      ]]
spacegroup =  63
cell =  [[4.7492, 0, 0], [0, 8.5555, 0], [0, 0, 6.7256]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:49      -11.752440         4.355743
BFGS:    1 16:47:50      -12.368717         4.512541
BFGS:    2 16:47:50      -12.985440         4.646300
BFGS:    3 16:47:50      -13.595419         4.752015
BFGS:    4 16:47:50      -14.182952         4.817345
BFGS:    5 16:47:50      -14.751647         4.828004
BFGS:    6 16:47:50      -15.296979         4.778622
BFGS:    7 16:47:50      -15.815279         4.670301
BFGS:    8 16:47:50      -16.301771         4.461625
BFGS:    9 16:47:50      -16.753058         4.232443
BFGS:   10 16:47:50      -17.159758         3.933621
BFGS:   11 16:47:50      -17.509877         3.523133
BFGS:   12 16:47:50      -17.797833         2.990408
BFGS:   13 16:47:50      -18.018951         2.316236
BFGS:   14 16:47:50      -18.172002         1.785852
BFGS:   15 16:47:50      -18.261087         1.908426
BFGS:   16 16:47:50      -18.305828         1.584151
BFGS:   17 16:47:50      -18.342233         0.978616
BFGS:   18 16:47:50      -18.372095         0.187762
BFGS:   19 16:47:50      -18.373871         0.103663
BFGS:   20 16:47:50      -18.374880         0.110542
BFGS:   21 16:47:50      -18.376792         0.163623
BFGS:   22 16:47:50      -18.378319         0.164872
BFGS:   23 16:47:50      -18.379092         0.097089
BFGS:   24 16:47:50      -18.379337         0.059879
BFGS:   25 16:47:50      -18.379444         0.046087
BFGS:   26 16:47:50      -18.379482         0.018435
BFGS:   27 16:47:50      -18.379489         0.003475
BFGS:   28 16:47:50      -18.379489         0.000372
BFGS:   29 16:47:50      -18.379489         0.000045
BFGS:   30 16:47:50      -18.379489         0.000004
BFGS:   31 16:47:50      -18.379489         0.000000
BFGS:   32 16:47:50      -18.379489         0.000000
BFGS:   33 16:47:50      -18.379489         0.000000
Minimization converged after 33 steps.
Maximum force component: 6.235290824507744e-11 eV/Angstrom
Maximum stress component: 3.266251157532897e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.         0.66666667 0.25      ]
 [0.         0.33333333 0.75      ]
 [0.5        0.16666667 0.25      ]
 [0.5        0.83333333 0.75      ]]
cellpar =  Cell([[3.9486077622263656, 2.1914844532883155e-36, 0.0], [-2.3536791508529925e-35, 6.8391892636219636, 0.0], [0.0, 0.0, 6.448178100975]])
forces =  [[ 2.14584996e-46 -6.23529082e-11  0.00000000e+00]
 [-2.14584996e-46  6.23529082e-11  0.00000000e+00]
 [ 2.14584996e-46 -6.23529082e-11  7.94799315e-32]
 [-2.14584996e-46  6.23529082e-11 -7.94799315e-32]]
stress =  [-3.26625116e-11  6.51204821e-12  2.78388796e-12  0.00000000e+00
  0.00000000e+00  1.42633607e-35]
energy per atom =  -4.594872262431062
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.