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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:09:49      -58.632244        8.2996
BFGS:    1 16:09:49      -60.026300        8.1768
BFGS:    2 16:09:49      -61.351601        7.9978
BFGS:    3 16:09:49      -62.599981        7.7540
BFGS:    4 16:09:49      -63.762735        7.4523
BFGS:    5 16:09:49      -64.834164        7.0647
BFGS:    6 16:09:49      -65.809640        6.5713
BFGS:    7 16:09:49      -66.688687        5.9778
BFGS:    8 16:09:49      -67.467204        5.2750
BFGS:    9 16:09:49      -68.139729        4.4560
BFGS:   10 16:09:49      -68.697043        3.5017
BFGS:   11 16:09:49      -69.125355        2.4162
BFGS:   12 16:09:49      -69.405387        1.3072
BFGS:   13 16:09:49      -69.508974        0.4042
BFGS:   14 16:09:49      -69.517368        0.3800
BFGS:   15 16:09:49      -69.556190        0.5611
BFGS:   16 16:09:49      -69.561828        0.4550
BFGS:   17 16:09:49      -69.570462        0.0921
BFGS:   18 16:09:49      -69.571021        0.0162
BFGS:   19 16:09:49      -69.571040        0.0040
BFGS:   20 16:09:49      -69.571040        0.0010
BFGS:   21 16:09:49      -69.571040        0.0000
BFGS:   22 16:09:49      -69.571040        0.0000
BFGS:   23 16:09:49      -69.571040        0.0000
BFGS:   24 16:09:49      -69.571040        0.0000
Minimization converged after 24 steps.
Maximum force component: 6.883349139413513e-09 eV/Angstrom
Maximum stress component: 3.679723460410598e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Cs', 'Cs', 'Li', 'Li']
basis =  [[2.01509119e-34 9.25843142e-37 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.39120759e-01]
 [5.00000000e-01 2.03643891e-33 6.60879241e-01]
 [0.00000000e+00 5.00000000e-01 7.10357303e-01]
 [5.00000000e-01 0.00000000e+00 2.89642697e-01]
 [0.00000000e+00 5.00000000e-01 8.42580056e-02]
 [5.00000000e-01 0.00000000e+00 9.15741994e-01]]
cellpar =  Cell([[4.539524206394291, 8.820942151071398e-36, 4.4709875156084e-39], [-1.009711574836375e-35, 4.53952420639429, -3.9718248698945746e-18], [-8.009846891257258e-38, -7.876993103103078e-18, 8.98539628845597]])
forces =  [[ 2.62284168e-33  1.09285070e-33 -1.32904272e-30]
 [ 3.49712224e-33  1.16509723e-48 -1.32904272e-30]
 [ 6.99424448e-33 -4.17791239e-27  4.76580314e-09]
 [ 6.99424448e-33  4.17791239e-27 -4.76580314e-09]
 [ 2.09827334e-32 -5.86769389e-27  6.69336055e-09]
 [ 1.39884890e-32  5.86769389e-27 -6.69336055e-09]
 [-5.24568336e-33  6.03424186e-27 -6.88334914e-09]
 [-5.24568336e-33 -6.03423574e-27  6.88334914e-09]]
stress =  [ 3.22950555e-10  3.22950555e-10  3.67972346e-10 -1.90129727e-26
 -9.97268693e-48  5.24847610e-62]
energy per atom =  -8.69637999963037
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0