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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 16:04:50        2.736440         6.916494
BFGS:    1 16:04:50        2.089029         6.025986
BFGS:    2 16:04:50        1.526745         5.232834
BFGS:    3 16:04:51        1.038728         4.543882
BFGS:    4 16:04:51        0.614580         3.947082
BFGS:    5 16:04:51        0.245176         3.430619
BFGS:    6 16:04:51       -0.077377         2.982968
BFGS:    7 16:04:51       -0.359806         2.593163
BFGS:    8 16:04:51       -0.607871         2.254348
BFGS:    9 16:04:51       -0.826242         1.949558
BFGS:   10 16:04:51       -1.018586         1.677200
BFGS:   11 16:04:51       -1.188241         1.431210
BFGS:   12 16:04:51       -1.338075         1.207130
BFGS:   13 16:04:51       -1.470656         1.001876
BFGS:   14 16:04:51       -1.588381         1.020960
BFGS:   15 16:04:51       -1.693549         1.095496
BFGS:   16 16:04:51       -1.788379         1.169225
BFGS:   17 16:04:51       -1.875075         1.254577
BFGS:   18 16:04:52       -1.955789         1.322162
BFGS:   19 16:04:52       -2.032397         1.378476
BFGS:   20 16:04:52       -2.104560         1.417399
BFGS:   21 16:04:52       -2.169314         1.432679
BFGS:   22 16:04:52       -2.227066         1.423851
BFGS:   23 16:04:52       -2.278713         1.391982
BFGS:   24 16:04:52       -2.324758         1.337938
BFGS:   25 16:04:52       -2.365510         1.261315
BFGS:   26 16:04:52       -2.401175         1.159431
BFGS:   27 16:04:52       -2.431969         1.026543
BFGS:   28 16:04:52       -2.458388         0.853347
BFGS:   29 16:04:52       -2.482022         0.626753
BFGS:   30 16:04:52       -2.507798         0.502540
BFGS:   31 16:04:52       -2.548142         0.451646
BFGS:   32 16:04:53       -2.586646         0.366191
BFGS:   33 16:04:53       -2.618325         0.268335
BFGS:   34 16:04:53       -2.641155         0.177981
BFGS:   35 16:04:53       -2.652479         0.082342
BFGS:   36 16:04:53       -2.653349         0.017499
BFGS:   37 16:04:53       -2.653370         0.003879
BFGS:   38 16:04:53       -2.653372         0.000023
BFGS:   39 16:04:53       -2.653372         0.000000
BFGS:   40 16:04:53       -2.653372         0.000000
Minimization converged after 40 steps.
Maximum force component: 9.382807715183797e-32 eV/Angstrom
Maximum stress component: 6.348171746560439e-13 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([[7.3077484535677755, 1.309173334462954e-16, -2.9335849149552466e-35], [-3.6538742267838877, 6.328695805256141, -7.289859191087651e-35], [-3.70025067292875e-34, 2.7323466329833055e-34, 4.354103362678328]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.50374770e-32 -2.60023995e-32  1.78984087e-67]
 [-9.38280772e-32  4.55041991e-32 -2.52956776e-67]]
stress =  [ 6.34817175e-13  6.34817175e-13 -1.67239293e-13 -1.86378693e-35
  5.45352848e-47 -2.05783471e-28]
energy per atom =  -0.8844571978328943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0