element(s):
['Cu', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4282']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.4282, 0, 0], [0, 4.4282, 0], [0, 0, 4.4282]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:05:57     -113.418392         8.151947
BFGS:    1 19:05:57     -114.419269         5.234816
BFGS:    2 19:05:57     -115.004713         2.625373
BFGS:    3 19:05:58     -115.222312         0.324654
BFGS:    4 19:05:58     -115.225981         0.022996
BFGS:    5 19:05:58     -115.226000         0.000224
BFGS:    6 19:05:58     -115.226000         0.000000
BFGS:    7 19:05:58     -115.226000         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.440300211908826e-30 eV/Angstrom
Maximum stress component: 9.851655615823957e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'N', 'N', 'N', 'N']
basis =  [[1.69271187e-36 1.28395330e-34 0.00000000e+00]
 [1.30423651e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.06630371e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.515434778238347, 9.94297014003047e-34, -7.866577605842516e-35], [-1.5920789258959526e-33, 4.515434778238347, 1.0525724093677363e-18], [5.021073124830599e-34, 1.0525724093677367e-18, 4.515434778238347]])
forces =  [[-5.50980421e-65  1.85523436e-31  9.27617179e-32]
 [ 7.42093743e-32  7.42093743e-32 -7.42093743e-32]
 [ 3.71046872e-32  1.11314061e-31 -3.71046872e-32]
 [ 1.85523436e-31 -2.59479132e-50 -1.11314061e-31]
 [ 1.48418749e-31 -2.96837497e-30 -2.93127029e-30]
 [-5.43235810e-31  1.92016756e-30  3.44030021e-30]
 [-5.19465620e-31 -1.18734999e-30  1.48418749e-31]
 [ 2.07786248e-30  2.89416560e-30 -7.42093743e-31]]
stress =  [-9.85165562e-14 -9.85165562e-14 -9.85165562e-14  5.56097175e-30
  1.61209282e-33  5.48366545e-50]
energy per atom =  -14.403249992844794
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0