element(s):
['Cu', 'N']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4755']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'N']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.4755, 0, 0], [0, 3.4755, 0], [0, 0, 3.4755]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:54      -65.702357         1.369383
BFGS:    1 16:05:54      -65.726868         0.567472
BFGS:    2 16:05:55      -65.731542         0.020870
BFGS:    3 16:05:55      -65.731548         0.000302
BFGS:    4 16:05:55      -65.731548         0.000000
BFGS:    5 16:05:55      -65.731548         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2523582264986933e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'N']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.38885354e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.38885354e-17]
 [0.00000000e+00 6.38885354e-17 6.38885354e-17]]
cellpar =  Cell([[3.4633033096765953, -4.232497652264091e-33, 1.5305003714705667e-32], [1.6096897753530564e-32, 3.4633033096765953, 4.157106177758215e-20], [2.2157749391800841e-32, 4.157106177758325e-20, 3.4633033096765953]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.25235823e-13  1.25235823e-13  1.25235823e-13 -2.85257308e-29
  1.09614530e-32 -3.17904807e-48]
energy per atom =  -16.432887110047506
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0