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_000
==== 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 20:00:37       -0.557023         0.707826
BFGS:    1 20:00:38       -0.578682         0.725568
BFGS:    2 20:00:38       -0.691898         0.822153
BFGS:    3 20:00:39       -0.814084         0.912051
BFGS:    4 20:00:40       -0.943422         0.991279
BFGS:    5 20:00:40       -1.077848         1.056269
BFGS:    6 20:00:41       -1.215128         1.104002
BFGS:    7 20:00:42       -1.352897         1.131965
BFGS:    8 20:00:43       -1.488623         1.137965
BFGS:    9 20:00:43       -1.619501         1.119807
BFGS:   10 20:00:44       -1.742433         1.074890
BFGS:   11 20:00:45       -1.853982         0.999750
BFGS:   12 20:00:45       -1.950302         0.889603
BFGS:   13 20:00:46       -2.027466         0.737998
BFGS:   14 20:00:47       -2.081947         0.549816
BFGS:   15 20:00:48       -2.109619         0.299859
BFGS:   16 20:00:48       -2.113107         0.148557
BFGS:   17 20:00:49       -2.114022         0.140124
BFGS:   18 20:00:50       -2.119406         0.010620
BFGS:   19 20:00:50       -2.119431         0.000731
BFGS:   20 20:00:51       -2.119431         0.000017
BFGS:   21 20:00:52       -2.119431         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.8717779440184563e-33 eV/Angstrom
Maximum stress component: 6.776369906295459e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[4.24448093e-32 0.00000000e+00 1.57927888e-32]
 [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([[4.29792247413662, 4.823869141232547e-36, 8.149520421178893e-39], [2.7783674479073462e-37, 4.297922474136622, 1.7193340930074082e-16], [-2.321138603358759e-39, 6.475076091951307e-16, 14.911123597136637]])
forces =  [[-2.17381981e-71 -3.36273340e-34 -1.34522254e-50]
 [-2.12911630e-71 -3.36273340e-34 -2.87177794e-33]
 [-4.34763961e-71 -6.72546679e-34 -2.69044507e-50]
 [-2.17381981e-71 -3.36273340e-34 -1.34522254e-50]]
stress =  [-6.73155748e-11 -6.73155748e-11 -6.77636991e-11  5.63088183e-27
  1.16488484e-49 -2.51744287e-65]
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