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 17:11:25       -0.557023        0.7078
BFGS:    1 17:11:25       -0.578682        0.7256
BFGS:    2 17:11:25       -0.691898        0.8222
BFGS:    3 17:11:25       -0.814084        0.9121
BFGS:    4 17:11:25       -0.943422        0.9913
BFGS:    5 17:11:26       -1.077848        1.0563
BFGS:    6 17:11:26       -1.215128        1.1040
BFGS:    7 17:11:26       -1.352897        1.1320
BFGS:    8 17:11:26       -1.488623        1.1380
BFGS:    9 17:11:26       -1.619501        1.1198
BFGS:   10 17:11:26       -1.742433        1.0749
BFGS:   11 17:11:26       -1.853982        0.9998
BFGS:   12 17:11:26       -1.950302        0.8896
BFGS:   13 17:11:26       -2.027466        0.7380
BFGS:   14 17:11:26       -2.081947        0.5498
BFGS:   15 17:11:26       -2.109619        0.2999
BFGS:   16 17:11:26       -2.113107        0.1486
BFGS:   17 17:11:26       -2.114022        0.1401
BFGS:   18 17:11:27       -2.119406        0.0106
BFGS:   19 17:11:27       -2.119431        0.0007
BFGS:   20 17:11:27       -2.119431        0.0000
BFGS:   21 17:11:27       -2.119431        0.0000
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