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_000
==== 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 09:57:24       -1.259943         0.955240
BFGS:    1 09:57:24       -1.285688         0.899292
BFGS:    2 09:57:24       -1.367813         0.712880
BFGS:    3 09:57:24       -1.432824         0.553032
BFGS:    4 09:57:25       -1.483258         0.416698
BFGS:    5 09:57:25       -1.521363         0.301047
BFGS:    6 09:57:25       -1.549114         0.205864
BFGS:    7 09:57:25       -1.568238         0.212940
BFGS:    8 09:57:25       -1.580249         0.215023
BFGS:    9 09:57:25       -1.586511         0.209982
BFGS:   10 09:57:25       -1.588329         0.198460
BFGS:   11 09:57:25       -1.589376         0.182687
BFGS:   12 09:57:25       -1.591633         0.138375
BFGS:   13 09:57:25       -1.594294         0.076354
BFGS:   14 09:57:25       -1.596391         0.024531
BFGS:   15 09:57:25       -1.596948         0.006322
BFGS:   16 09:57:25       -1.596995         0.005749
BFGS:   17 09:57:25       -1.597000         0.005259
BFGS:   18 09:57:26       -1.597003         0.004916
BFGS:   19 09:57:26       -1.597010         0.003977
BFGS:   20 09:57:26       -1.597020         0.004653
BFGS:   21 09:57:26       -1.597028         0.003085
BFGS:   22 09:57:26       -1.597031         0.000919
BFGS:   23 09:57:26       -1.597031         0.000082
BFGS:   24 09:57:26       -1.597031         0.000008
BFGS:   25 09:57:26       -1.597031         0.000001
BFGS:   26 09:57:26       -1.597031         0.000000
BFGS:   27 09:57:26       -1.597031         0.000000
Minimization converged after 27 steps.
Maximum force component: 9.796820733126711e-11 eV/Angstrom
Maximum stress component: 7.190043371692349e-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 3.73288091e-35 0.00000000e+00]
 [3.27882704e-35 2.91160579e-01 0.00000000e+00]
 [0.00000000e+00 7.08839421e-01 0.00000000e+00]]
cellpar =  Cell([[10.763943930129841, 2.8567552916940423e-36, -8.261375591161405e-32], [-1.0697613721820865e-35, 10.763943930129841, 1.3492616209372133e-16], [-2.0760517690697894e-32, 5.624910197889322e-17, 4.438723067440107]])
forces =  [[ 9.79682073e-11 -8.29224077e-33 -7.51910521e-43]
 [-9.79682073e-11 -2.60005477e-47  2.02112669e-35]
 [ 8.29224077e-33  9.79682073e-11  1.22803208e-27]
 [ 9.73645019e-47 -9.79682073e-11 -1.22803048e-27]]
stress =  [ 1.80306391e-13  1.80306391e-13  7.19004337e-13 -3.78778225e-29
  2.71464132e-46 -2.29819333e-62]
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