element(s):
['K']
AFLOW prototype label:
A_tP1_123_a
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:
['4.2656', '0.9915135']
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 0]]
spacegroup =  123
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2294]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:58       -0.502670         0.138900
BFGS:    1 14:05:58       -0.502930         0.115419
BFGS:    2 14:05:59       -0.503634         0.031083
BFGS:    3 14:05:59       -0.503674         0.028795
BFGS:    4 14:05:59       -0.503733         0.019394
BFGS:    5 14:05:59       -0.503768         0.014575
BFGS:    6 14:05:59       -0.503780         0.005053
BFGS:    7 14:05:59       -0.503782         0.000660
BFGS:    8 14:06:00       -0.503782         0.000066
BFGS:    9 14:06:00       -0.503782         0.000004
BFGS:   10 14:06:00       -0.503782         0.000000
BFGS:   11 14:06:00       -0.503782         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.177383070817095e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.293892479450328, -9.631125779579503e-36, -3.443273442833163e-32], [-8.048267260854266e-36, 4.293892479450329, 2.2735495603227767e-18], [1.7243091937527415e-32, 2.285212430866326e-18, 4.293892479045164]])
forces =  [[0. 0. 0.]]
stress =  [-6.31874674e-12 -6.31874674e-12 -2.17738307e-11  6.25638241e-27
 -6.20633691e-44  1.84731059e-59]
energy per atom =  -0.5037816617137654
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.