element(s):
['Cu', 'N']
AFLOW prototype label:
A3B_tP8_123_egh_ab
Parameter names:
['a', 'c/a', 'z4', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7001', '1.9970271', '0.23873293', '0.16922847']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Cu', 'N', 'N']
representative atom coordinates =  [[0.         0.5        0.5       ]
 [0.         0.         0.23873293]
 [0.5        0.5        0.16922847]
 [0.         0.         0.        ]
 [0.         0.         0.5       ]]
spacegroup =  123
cell =  [[3.7001, 0, 0], [0, 3.7001, 0], [0, 0, 7.3892]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:17:25      -98.309486       80.3460
BFGS:    1 18:17:25     -104.384182       27.3133
BFGS:    2 18:17:25     -105.928937       25.5678
BFGS:    3 18:17:25     -107.472501       19.1786
BFGS:    4 18:17:25     -108.644642       13.9879
BFGS:    5 18:17:25     -109.534037        9.4000
BFGS:    6 18:17:25     -110.212993        5.3166
BFGS:    7 18:17:25     -110.712124        3.1182
BFGS:    8 18:17:25     -111.110866        3.6172
BFGS:    9 18:17:25     -111.510191        4.1547
BFGS:   10 18:17:25     -111.928071        4.6457
BFGS:   11 18:17:25     -112.372440        5.0362
BFGS:   12 18:17:25     -112.840425        5.2884
BFGS:   13 18:17:25     -113.322049        5.3697
BFGS:   14 18:17:25     -113.805514        5.2481
BFGS:   15 18:17:25     -114.269296        5.0857
BFGS:   16 18:17:25     -114.689219        4.8658
BFGS:   17 18:17:25     -115.036144        4.3242
BFGS:   18 18:17:25     -115.274189        3.3086
BFGS:   19 18:17:25     -115.356429        1.2877
BFGS:   20 18:17:25     -115.367077        0.7893
BFGS:   21 18:17:25     -115.375340        0.5581
BFGS:   22 18:17:25     -115.379265        0.2147
BFGS:   23 18:17:25     -115.380022        0.0964
BFGS:   24 18:17:25     -115.380088        0.0114
BFGS:   25 18:17:25     -115.380092        0.0044
BFGS:   26 18:17:25     -115.380092        0.0021
BFGS:   27 18:17:25     -115.380092        0.0003
BFGS:   28 18:17:25     -115.380092        0.0000
BFGS:   29 18:17:25     -115.380092        0.0000
BFGS:   30 18:17:25     -115.380092        0.0000
Minimization converged after 30 steps.
Maximum force component: 7.825023172366954e-09 eV/Angstrom
Maximum stress component: 2.135019626856907e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'N', 'N']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [4.86927507e-34 0.00000000e+00 2.51858127e-01]
 [0.00000000e+00 0.00000000e+00 7.48141873e-01]
 [5.00000000e-01 5.00000000e-01 2.71221203e-01]
 [5.00000000e-01 5.00000000e-01 7.28778797e-01]
 [1.00024961e-65 2.88302322e-48 1.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.797279256566717, 4.301373878864265e-37, -1.0171971106894293e-31], [-3.101764651040641e-36, 3.797279256566716, 2.923568736312759e-16], [5.332710859295398e-33, 5.810496338659243e-16, 7.849083311465149]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.31636427e-42  5.79268447e-25  7.82502317e-09]
 [-5.31636427e-42 -5.79268546e-25 -7.82502317e-09]
 [ 3.74440644e-31  2.31779138e-25  3.13097840e-09]
 [ 9.36101610e-32 -2.31779044e-25 -3.13097840e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-7.48137577e-11 -7.48137577e-11  2.13501963e-10 -1.98945341e-26
  1.32336292e-32 -1.76466711e-48]
energy per atom =  -14.422511560154108
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0