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 14:13:22     -113.418392        8.1519
BFGS:    1 14:13:22     -114.419269        5.2348
BFGS:    2 14:13:22     -115.004713        2.6254
BFGS:    3 14:13:22     -115.222312        0.3247
BFGS:    4 14:13:22     -115.225981        0.0230
BFGS:    5 14:13:23     -115.226000        0.0002
BFGS:    6 14:13:23     -115.226000        0.0000
BFGS:    7 14:13:23     -115.226000        0.0000
Minimization converged after 7 steps.
Maximum force component: 8.198976339200307e-30 eV/Angstrom
Maximum stress component: 9.383897452835297e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'N', 'N', 'N', 'N']
basis =  [[1.30095870e-34 2.56790659e-34 1.28395330e-34]
 [2.58818858e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.06630371e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.55912891e-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([[4.5154347782383475, -4.550471843928356e-33, -7.666156581494198e-34], [-1.808948886987642e-34, 4.5154347782383475, 1.0519704810855838e-18], [1.3962390372142373e-34, 1.0519704810855844e-18, 4.5154347782383475]])
forces =  [[-2.29466331e-66 -1.72887164e-50 -7.42093743e-32]
 [-2.29466331e-66 -1.72887164e-50 -7.42093743e-32]
 [ 2.97293553e-66 -7.42093743e-32 -1.72887164e-50]
 [-7.42093743e-32 -3.45774327e-50 -1.48418749e-31]
 [ 7.42093743e-31  2.96837497e-30 -7.97750774e-30]
 [-9.21819571e-31 -2.53935203e-30  8.19897634e-30]
 [-3.11679372e-30  3.11679372e-30  3.41363122e-30]
 [-4.75413000e-66 -1.94335799e-30 -2.67153747e-30]]
stress =  [-9.38389745e-14 -9.38389745e-14 -9.38389745e-14 -2.61837017e-30
  3.22418565e-33  1.61994391e-49]
energy per atom =  -14.403249992844795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0