element(s):
['K']
AFLOW prototype label:
A_tP4_123_l
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.6836', '0.43686232', '0.29480938']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.29480938 0.         0.        ]]
spacegroup =  123
cell =  [[9.6836, 0, 0], [0, 9.6836, 0], [0, 0, 4.2304]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:06:10       -1.259943         0.955240
BFGS:    1 13:06:10       -1.285688         0.899292
BFGS:    2 13:06:11       -1.367813         0.712880
BFGS:    3 13:06:11       -1.432824         0.553032
BFGS:    4 13:06:11       -1.483258         0.416698
BFGS:    5 13:06:11       -1.521363         0.301047
BFGS:    6 13:06:11       -1.549114         0.205864
BFGS:    7 13:06:11       -1.568238         0.212940
BFGS:    8 13:06:11       -1.580249         0.215023
BFGS:    9 13:06:11       -1.586511         0.209982
BFGS:   10 13:06:11       -1.588329         0.198460
BFGS:   11 13:06:11       -1.589376         0.182687
BFGS:   12 13:06:12       -1.591633         0.138375
BFGS:   13 13:06:12       -1.594294         0.076354
BFGS:   14 13:06:12       -1.596391         0.024531
BFGS:   15 13:06:12       -1.596948         0.006322
BFGS:   16 13:06:12       -1.596995         0.005749
BFGS:   17 13:06:12       -1.597000         0.005259
BFGS:   18 13:06:12       -1.597003         0.004916
BFGS:   19 13:06:12       -1.597010         0.003977
BFGS:   20 13:06:12       -1.597020         0.004653
BFGS:   21 13:06:12       -1.597028         0.003085
BFGS:   22 13:06:12       -1.597031         0.000919
BFGS:   23 13:06:12       -1.597031         0.000082
BFGS:   24 13:06:12       -1.597031         0.000008
BFGS:   25 13:06:13       -1.597031         0.000001
BFGS:   26 13:06:13       -1.597031         0.000000
BFGS:   27 13:06:13       -1.597031         0.000000
Minimization converged after 27 steps.
Maximum force component: 9.796897494640523e-11 eV/Angstrom
Maximum stress component: 7.189565200923367e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[2.91160579e-01 0.00000000e+00 0.00000000e+00]
 [7.08839421e-01 9.34135839e-35 7.68805484e-36]
 [4.65405458e-35 2.91160579e-01 0.00000000e+00]
 [1.42023228e-34 7.08839421e-01 0.00000000e+00]]
cellpar =  Cell([[10.763943930129845, -1.0939846359321207e-35, -2.73096147137386e-32], [3.875441041096241e-35, 10.763943930129843, 7.479949360566536e-17], [3.8788677509141594e-32, 3.076433725947802e-17, 4.438723067440105]])
forces =  [[ 9.79689749e-11 -1.21615458e-46 -2.48560841e-43]
 [-9.79689749e-11  9.95699663e-47  2.48560841e-43]
 [ 3.52726648e-46  9.79689749e-11  6.80794118e-28]
 [-3.52726648e-46 -9.79689749e-11 -6.80794118e-28]]
stress =  [ 1.80322771e-13  1.80322771e-13  7.18956520e-13 -2.85284678e-29
 -5.03872924e-37 -8.57709578e-65]
energy per atom =  -0.3992578144710778
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0