element(s):
['K']
AFLOW prototype label:
A_tI4_141_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:
['4.3232', '3.6688101']
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 =  141
cell =  [[4.3232, 0, 0], [0, 4.3232, 0], [0, 0, 15.861]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:29       -2.576991         0.140398
BFGS:    1 17:23:29       -2.577340         0.135917
BFGS:    2 17:23:29       -2.582380         0.018390
BFGS:    3 17:23:29       -2.582528         0.008454
BFGS:    4 17:23:30       -2.582530         0.008415
BFGS:    5 17:23:30       -2.582565         0.005853
BFGS:    6 17:23:30       -2.582581         0.003139
BFGS:    7 17:23:30       -2.582587         0.001505
BFGS:    8 17:23:30       -2.582588         0.000265
BFGS:    9 17:23:30       -2.582588         0.000011
BFGS:   10 17:23:30       -2.582588         0.000001
BFGS:   11 17:23:31       -2.582588         0.000000
BFGS:   12 17:23:31       -2.582588         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.655305718562013e-32 eV/Angstrom
Maximum stress component: 4.193854132769462e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.   0.5  0.25]
 [0.5  0.   0.75]]
cellpar =  Cell([[4.353846936906372, -7.598588634176191e-38, -9.63228630906251e-41], [-1.818434583565316e-37, 4.353846936906372, 1.873461377038241e-18], [-3.8763579840952203e-38, 6.733862020010921e-18, 15.626979422553228]])
forces =  [[ 1.90040069e-70 -4.19260209e-33 -6.01929352e-33]
 [-1.99245020e-55  1.67704084e-33 -9.02894028e-33]
 [ 3.35408168e-33 -3.35408168e-33  1.20385870e-32]
 [ 1.67704084e-33 -1.67704084e-33  1.65530572e-32]]
stress =  [-5.23173615e-13 -5.23173615e-13 -4.19385413e-12 -1.43838281e-27
  1.32721101e-49  4.64672935e-65]
energy per atom =  -0.6456469971082048
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0