element(s):
['F', 'K']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2675']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['F', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2675, 0, 0], [0, 3.2675, 0], [0, 0, 3.2675]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:31:34       -6.771713         0.900249
BFGS:    1 12:31:35       -6.800628         0.593895
BFGS:    2 12:31:36       -6.820343         0.087595
BFGS:    3 12:31:37       -6.820729         0.006777
BFGS:    4 12:31:37       -6.820732         0.000071
BFGS:    5 12:31:38       -6.820732         0.000000
BFGS:    6 12:31:39       -6.820732         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0235233006498736e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['F', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.2106123435489415, 1.1570999958703542e-32, -2.3697616967669243e-33], [5.14501975111822e-33, 3.2106123435489415, 5.7053855125934235e-19], [-7.486195869228337e-33, 5.705385512593435e-19, 3.2106123435489415]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.02352330e-14 3.02352330e-14 3.02352330e-14 6.12635445e-30
 7.97174611e-34 2.10577636e-49]
energy per atom =  -3.4103659258876835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0