element(s):
['Cs']
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:
['7.7355']
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 =  225
cell =  [[7.7355, 0, 0], [0, 7.7355, 0], [0, 0, 7.7355]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:30       -0.292685         0.572284
BFGS:    1 15:16:30       -0.306969         0.592525
BFGS:    2 15:16:30       -0.405464         0.722323
BFGS:    3 15:16:30       -0.524025         0.859280
BFGS:    4 15:16:30       -0.663345         0.998144
BFGS:    5 15:16:30       -0.823265         1.132923
BFGS:    6 15:16:30       -1.002704         1.257351
BFGS:    7 15:16:30       -1.199648         1.365363
BFGS:    8 15:16:30       -1.411216         1.451472
BFGS:    9 15:16:30       -1.633757         1.510952
BFGS:   10 15:16:30       -1.862967         1.539754
BFGS:   11 15:16:30       -2.093963         1.534131
BFGS:   12 15:16:31       -2.321283         1.489991
BFGS:   13 15:16:31       -2.538774         1.402042
BFGS:   14 15:16:31       -2.739336         1.262787
BFGS:   15 15:16:31       -2.914514         1.061472
BFGS:   16 15:16:31       -3.053929         0.783012
BFGS:   17 15:16:31       -3.145374         0.417006
BFGS:   18 15:16:31       -3.172846         0.073077
BFGS:   19 15:16:31       -3.173559         0.008752
BFGS:   20 15:16:31       -3.173570         0.000157
BFGS:   21 15:16:31       -3.173570         0.000000
BFGS:   22 15:16:31       -3.173570         0.000000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8896751521676782e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.06095825e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.088743981263021, 8.961683664790533e-35, 6.960947300885882e-33], [8.608938618691847e-32, 6.088743981263021, 3.786257902494652e-17], [-3.886362880237541e-33, 3.7862579024946565e-17, 6.088743981263018]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.88967515e-13  1.88967515e-13  1.88967515e-13 -3.58322200e-30
  1.69107881e-39 -1.83817705e-56]
energy per atom =  -0.7933924694227323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0