element(s):
['Cl', 'Cs', 'Li']
AFLOW prototype label:
A2BC_tP8_129_ac_c_c
Parameter names:
['a', 'c/a', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9487', '1.9520884', '0.32713122', '0.69471579', '0.080584763']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Cl', 'Cs', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.5        0.32713122]
 [0.         0.5        0.69471579]
 [0.         0.5        0.08058476]]
spacegroup =  129
cell =  [[4.9487, 0, 0], [0, 4.9487, 0], [0, 0, 9.6603]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:09:35      -26.040515        2.0903
BFGS:    1 16:09:35      -26.353558        1.6562
BFGS:    2 16:09:35      -26.775734        1.4927
BFGS:    3 16:09:35      -27.078649        1.2735
BFGS:    4 16:09:35      -27.288561        0.9400
BFGS:    5 16:09:35      -27.416056        1.1207
BFGS:    6 16:09:36      -27.488013        1.2296
BFGS:    7 16:09:36      -27.546030        1.0280
BFGS:    8 16:09:36      -27.610601        0.4506
BFGS:    9 16:09:36      -27.625624        0.1671
BFGS:   10 16:09:36      -27.627509        0.1414
BFGS:   11 16:09:36      -27.629238        0.0810
BFGS:   12 16:09:36      -27.630296        0.0802
BFGS:   13 16:09:36      -27.630839        0.0462
BFGS:   14 16:09:36      -27.630946        0.0233
BFGS:   15 16:09:36      -27.630999        0.0243
BFGS:   16 16:09:36      -27.631027        0.0196
BFGS:   17 16:09:36      -27.631040        0.0123
BFGS:   18 16:09:36      -27.631046        0.0067
BFGS:   19 16:09:36      -27.631052        0.0051
BFGS:   20 16:09:37      -27.631055        0.0030
BFGS:   21 16:09:37      -27.631057        0.0009
BFGS:   22 16:09:37      -27.631057        0.0002
BFGS:   23 16:09:37      -27.631057        0.0000
BFGS:   24 16:09:37      -27.631057        0.0000
BFGS:   25 16:09:37      -27.631057        0.0000
BFGS:   26 16:09:37      -27.631057        0.0000
BFGS:   27 16:09:37      -27.631057        0.0000
Minimization converged after 27 steps.
Maximum force component: 2.157312328776585e-09 eV/Angstrom
Maximum stress component: 7.358949159905632e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Cs', 'Cs', 'Li', 'Li']
basis =  [[1.27053013e-33 0.00000000e+00 1.26948816e-36]
 [5.00000000e-01 5.00000000e-01 1.96046850e-34]
 [6.88316521e-33 5.00000000e-01 3.51334860e-01]
 [5.00000000e-01 0.00000000e+00 6.48665140e-01]
 [7.23956114e-34 5.00000000e-01 7.18219240e-01]
 [5.00000000e-01 0.00000000e+00 2.81780760e-01]
 [6.41359549e-33 5.00000000e-01 8.63881581e-02]
 [5.00000000e-01 0.00000000e+00 9.13611842e-01]]
cellpar =  Cell([[4.761629388209102, 7.786888801906247e-36, 3.040108267587882e-37], [-1.8748757118412054e-36, 4.761629388209103, -1.3925873110768897e-18], [-2.8189843141457888e-52, -2.6350586049675267e-18, 9.33263375432735]])
forces =  [[ 1.38986657e-83  1.29918420e-49 -4.60134369e-31]
 [ 1.38986657e-83  1.29918420e-49 -4.60134369e-31]
 [ 6.51630819e-62  6.09056009e-28 -2.15731233e-09]
 [-6.51630587e-62 -6.09114701e-28  2.15731233e-09]
 [-4.85559522e-62 -4.53937913e-28  1.60751208e-09]
 [ 4.85559984e-62  4.53820530e-28 -1.60751208e-09]
 [-6.76347363e-63 -6.31335207e-29  2.23912913e-10]
 [ 6.76346208e-63  6.31628665e-29 -2.23912913e-10]]
stress =  [ 3.37892138e-11  3.37892138e-11 -7.35894916e-11  1.01168137e-27
  9.55951745e-63  1.74625921e-63]
energy per atom =  -3.453882103788848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0