element(s):
['K']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6342']
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 =  225
cell =  [[6.6342, 0, 0], [0, 6.6342, 0], [0, 0, 6.6342]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:50       -3.635718         0.327933
BFGS:    1 16:23:51       -3.640235         0.314830
BFGS:    2 16:23:51       -3.676463         0.165094
BFGS:    3 16:23:51       -3.688743         0.005081
BFGS:    4 16:23:51       -3.688754         0.000333
BFGS:    5 16:23:51       -3.688754         0.000001
BFGS:    6 16:23:52       -3.688754         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1206662406430444e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[6.462898632669017, 2.272330834292662e-32, -2.4076420372269838e-34], [2.4422613129888072e-33, 6.462898632669017, -1.1659126500551787e-17], [-4.4235764316355325e-36, -1.1659126500551788e-17, 6.462898632669017]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12066624e-12 -1.12066624e-12 -1.12066624e-12 -1.78521272e-31
  7.68483499e-37 -3.09587139e-54]
energy per atom =  -0.9221884865368288
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0