element(s):
['Cs']
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:
['5.0985', '3.6231244']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[5.0985, 0, 0], [0, 5.0985, 0], [0, 0, 18.4725]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:58       -0.557023         0.707826
BFGS:    1 14:05:58       -0.578682         0.725568
BFGS:    2 14:05:59       -0.691898         0.822153
BFGS:    3 14:05:59       -0.814084         0.912051
BFGS:    4 14:05:59       -0.943422         0.991279
BFGS:    5 14:05:59       -1.077848         1.056269
BFGS:    6 14:05:59       -1.215128         1.104002
BFGS:    7 14:05:59       -1.352897         1.131965
BFGS:    8 14:05:59       -1.488623         1.137965
BFGS:    9 14:06:00       -1.619501         1.119807
BFGS:   10 14:06:00       -1.742433         1.074890
BFGS:   11 14:06:00       -1.853982         0.999750
BFGS:   12 14:06:00       -1.950302         0.889603
BFGS:   13 14:06:00       -2.027466         0.737998
BFGS:   14 14:06:00       -2.081947         0.549816
BFGS:   15 14:06:00       -2.109619         0.299859
BFGS:   16 14:06:01       -2.113107         0.148557
BFGS:   17 14:06:01       -2.114022         0.140124
BFGS:   18 14:06:01       -2.119406         0.010620
BFGS:   19 14:06:01       -2.119431         0.000731
BFGS:   20 14:06:01       -2.119431         0.000017
BFGS:   21 14:06:02       -2.119431         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.148711177607382e-32 eV/Angstrom
Maximum stress component: 6.776381256552155e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 5.89973557e-33 2.69634021e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.297922474136622, 1.5130692092167325e-36, 8.149520421179064e-39], [-1.106203969382833e-36, 4.297922474136622, 1.9723657668976237e-16], [-2.321138603358847e-39, 7.407077462509654e-16, 14.91112359713663]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.78814014e-72 -5.70620491e-49 -1.14871118e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.73155712e-11 -6.73155712e-11 -6.77638126e-11  6.44598219e-27
  3.75648407e-37 -1.72489946e-53]
energy per atom =  -0.5298576504141517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0