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_000
==== 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 16:52:44       -0.292685        0.5723
BFGS:    1 16:52:44       -0.306969        0.5925
BFGS:    2 16:52:44       -0.405464        0.7223
BFGS:    3 16:52:44       -0.524025        0.8593
BFGS:    4 16:52:44       -0.663345        0.9981
BFGS:    5 16:52:44       -0.823265        1.1329
BFGS:    6 16:52:44       -1.002704        1.2574
BFGS:    7 16:52:44       -1.199648        1.3654
BFGS:    8 16:52:44       -1.411216        1.4515
BFGS:    9 16:52:44       -1.633757        1.5110
BFGS:   10 16:52:45       -1.862967        1.5398
BFGS:   11 16:52:45       -2.093963        1.5341
BFGS:   12 16:52:45       -2.321283        1.4900
BFGS:   13 16:52:45       -2.538774        1.4020
BFGS:   14 16:52:45       -2.739336        1.2628
BFGS:   15 16:52:45       -2.914514        1.0615
BFGS:   16 16:52:45       -3.053929        0.7830
BFGS:   17 16:52:45       -3.145374        0.4170
BFGS:   18 16:52:45       -3.172846        0.0731
BFGS:   19 16:52:45       -3.173559        0.0088
BFGS:   20 16:52:45       -3.173570        0.0002
BFGS:   21 16:52:45       -3.173570        0.0000
BFGS:   22 16:52:45       -3.173570        0.0000
Minimization converged after 22 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8889119811952327e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.99006781e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.08874398126302, 1.1728075671407547e-32, 3.4223589214919265e-32], [3.3875063269595565e-32, 6.088743981263019, 3.5478905633640226e-17], [-2.647243635616488e-32, 3.547890563364026e-17, 6.0887439812630175]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.88891198e-13  1.88891198e-13  1.88891198e-13 -2.55864838e-29
 -8.55856536e-61 -9.90433406e-64]
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