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_001
==== 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 14:05:58       -3.434902         0.757082
BFGS:    1 14:05:58       -3.445413         0.735856
BFGS:    2 14:05:58       -3.491534         0.638346
BFGS:    3 14:05:59       -3.533196         0.541555
BFGS:    4 14:05:59       -3.570182         0.446193
BFGS:    5 14:05:59       -3.602419         0.360017
BFGS:    6 14:05:59       -3.629652         0.293464
BFGS:    7 14:05:59       -3.651447         0.272492
BFGS:    8 14:06:00       -3.667604         0.242494
BFGS:    9 14:06:00       -3.677876         0.202014
BFGS:   10 14:06:00       -3.681980         0.147163
BFGS:   11 14:06:00       -3.682389         0.136908
BFGS:   12 14:06:01       -3.685172         0.060315
BFGS:   13 14:06:01       -3.686466         0.054636
BFGS:   14 14:06:01       -3.686953         0.042239
BFGS:   15 14:06:01       -3.687004         0.035870
BFGS:   16 14:06:02       -3.687059         0.029167
BFGS:   17 14:06:02       -3.687182         0.017984
BFGS:   18 14:06:02       -3.687376         0.016517
BFGS:   19 14:06:02       -3.687568         0.015960
BFGS:   20 14:06:03       -3.687659         0.017998
BFGS:   21 14:06:03       -3.687691         0.014279
BFGS:   22 14:06:03       -3.687721         0.013414
BFGS:   23 14:06:04       -3.687791         0.012445
BFGS:   24 14:06:04       -3.687941         0.017318
BFGS:   25 14:06:04       -3.688217         0.020688
BFGS:   26 14:06:04       -3.688546         0.020090
BFGS:   27 14:06:04       -3.688723         0.010463
BFGS:   28 14:06:04       -3.688752         0.002496
BFGS:   29 14:06:05       -3.688754         0.000257
BFGS:   30 14:06:05       -3.688754         0.000067
BFGS:   31 14:06:05       -3.688754         0.000020
BFGS:   32 14:06:05       -3.688754         0.000002
BFGS:   33 14:06:06       -3.688754         0.000000
BFGS:   34 14:06:06       -3.688754         0.000000
Minimization converged after 34 steps.
Maximum force component: 1.515805263425929e-10 eV/Angstrom
Maximum stress component: 1.2495636063961732e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[4.52565325e-35 6.66666666e-01 2.50000000e-01]
 [2.60857416e-35 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, 1.9292655904039493e-37, 0.0], [-3.560584414161464e-36, 7.915401954315311, 0.0], [0.0, 0.0, 7.462712536029102]])
forces =  [[-3.52056869e-33  1.51580526e-10  9.19850339e-32]
 [ 6.81854519e-47 -1.51580526e-10 -6.89887754e-32]
 [ 3.52056869e-33  1.51580526e-10  4.59925169e-32]
 [ 6.81854519e-47 -1.51580526e-10  4.59925169e-32]]
stress =  [-1.24956361e-10 -8.50767597e-11  7.23235326e-11  0.00000000e+00
  0.00000000e+00  4.25936789e-35]
energy per atom =  -0.9221884865368288
===============================================
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.