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 16:01:24      -58.632244         8.299552
BFGS:    1 16:01:24      -60.026300         8.176820
BFGS:    2 16:01:24      -61.351601         7.997838
BFGS:    3 16:01:24      -62.599981         7.754027
BFGS:    4 16:01:24      -63.762735         7.452272
BFGS:    5 16:01:24      -64.834164         7.064653
BFGS:    6 16:01:24      -65.809640         6.571272
BFGS:    7 16:01:24      -66.688687         5.977817
BFGS:    8 16:01:24      -67.467204         5.275038
BFGS:    9 16:01:24      -68.139729         4.455963
BFGS:   10 16:01:24      -68.697043         3.501670
BFGS:   11 16:01:24      -69.125355         2.416155
BFGS:   12 16:01:24      -69.405387         1.307165
BFGS:   13 16:01:24      -69.508974         0.404193
BFGS:   14 16:01:24      -69.517368         0.379970
BFGS:   15 16:01:24      -69.556190         0.561138
BFGS:   16 16:01:24      -69.561828         0.454971
BFGS:   17 16:01:24      -69.570462         0.092139
BFGS:   18 16:01:24      -69.571021         0.016200
BFGS:   19 16:01:24      -69.571040         0.004042
BFGS:   20 16:01:24      -69.571040         0.001045
BFGS:   21 16:01:24      -69.571040         0.000037
BFGS:   22 16:01:24      -69.571040         0.000002
BFGS:   23 16:01:24      -69.571040         0.000000
BFGS:   24 16:01:24      -69.571040         0.000000
Minimization converged after 24 steps.
Maximum force component: 6.883290577168293e-09 eV/Angstrom
Maximum stress component: 3.6797172247041696e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Cs', 'Cs', 'Li', 'Li']
basis =  [[2.61527693e-33 0.00000000e+00 1.00500175e-36]
 [5.00000000e-01 5.00000000e-01 3.42944019e-34]
 [0.00000000e+00 5.00000000e-01 3.39120759e-01]
 [5.00000000e-01 6.78812970e-33 6.60879241e-01]
 [1.06535319e-33 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([[4.539524206394292, -1.2080574859205368e-35, 2.1986443597685518e-36], [2.289628840164395e-35, 4.539524206394291, 3.031639793743539e-17], [-7.522574701996302e-35, 5.934564032255765e-17, 8.985396288455968]])
forces =  [[-3.77947032e-66 -1.39884890e-32  4.43014241e-31]
 [ 7.20616745e-66 -4.19654669e-32 -8.86028481e-31]
 [-3.98991597e-44  3.14764448e-26  4.76578533e-09]
 [ 3.98991597e-44 -3.14762910e-26 -4.76578533e-09]
 [-5.60365175e-44  4.42071329e-26  6.69332425e-09]
 [ 5.60365175e-44 -4.42074127e-26 -6.69332425e-09]
 [ 5.76269158e-44 -4.54618866e-26 -6.88329058e-09]
 [-5.76269158e-44  4.54619390e-26  6.88329058e-09]]
stress =  [ 3.22952046e-10  3.22952046e-10  3.67971722e-10 -5.15361360e-26
 -9.36605177e-45  7.38043003e-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