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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 16:37:59       -3.434902        0.7571
BFGS:    1 16:37:59       -3.445413        0.7359
BFGS:    2 16:37:59       -3.491534        0.6383
BFGS:    3 16:37:59       -3.533196        0.5416
BFGS:    4 16:37:59       -3.570182        0.4462
BFGS:    5 16:37:59       -3.602419        0.3600
BFGS:    6 16:37:59       -3.629652        0.2935
BFGS:    7 16:37:59       -3.651447        0.2725
BFGS:    8 16:37:59       -3.667604        0.2425
BFGS:    9 16:37:59       -3.677876        0.2020
BFGS:   10 16:38:00       -3.681980        0.1472
BFGS:   11 16:38:00       -3.682389        0.1369
BFGS:   12 16:38:00       -3.685172        0.0603
BFGS:   13 16:38:00       -3.686466        0.0546
BFGS:   14 16:38:00       -3.686953        0.0422
BFGS:   15 16:38:00       -3.687004        0.0359
BFGS:   16 16:38:00       -3.687059        0.0292
BFGS:   17 16:38:00       -3.687182        0.0180
BFGS:   18 16:38:00       -3.687376        0.0165
BFGS:   19 16:38:00       -3.687568        0.0160
BFGS:   20 16:38:00       -3.687659        0.0180
BFGS:   21 16:38:00       -3.687691        0.0143
BFGS:   22 16:38:00       -3.687721        0.0134
BFGS:   23 16:38:00       -3.687791        0.0124
BFGS:   24 16:38:01       -3.687941        0.0173
BFGS:   25 16:38:01       -3.688217        0.0207
BFGS:   26 16:38:01       -3.688546        0.0201
BFGS:   27 16:38:01       -3.688723        0.0105
BFGS:   28 16:38:01       -3.688752        0.0025
BFGS:   29 16:38:01       -3.688754        0.0003
BFGS:   30 16:38:01       -3.688754        0.0001
BFGS:   31 16:38:01       -3.688754        0.0000
BFGS:   32 16:38:01       -3.688754        0.0000
BFGS:   33 16:38:01       -3.688754        0.0000
BFGS:   34 16:38:01       -3.688754        0.0000
Minimization converged after 34 steps.
Maximum force component: 1.5158007444712737e-10 eV/Angstrom
Maximum stress component: 1.2495635734944872e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.00000000e+00 6.66666666e-01 2.50000000e-01]
 [8.15686904e-36 3.33333334e-01 7.50000000e-01]
 [5.00000000e-01 1.66666666e-01 2.50000000e-01]
 [5.00000000e-01 8.33333334e-01 7.50000000e-01]]
cellpar =  Cell([[4.569959443175649, 1.1457774916638399e-36, 0.0], [-1.621258912150091e-35, 7.915401954315313, 0.0], [0.0, 0.0, 7.462712536029104]])
forces =  [[-3.10471342e-46  1.51580074e-10 -2.29962585e-32]
 [ 3.10471342e-46 -1.51580074e-10  2.29962585e-32]
 [-3.10471342e-46  1.51580074e-10  0.00000000e+00]
 [ 3.10471342e-46 -1.51580074e-10  0.00000000e+00]]
stress =  [-1.24956357e-10 -8.50767222e-11  7.23235597e-11  0.00000000e+00
  0.00000000e+00  2.66831144e-46]
energy per atom =  -0.922188486536829
===============================================
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.