element(s):
['Cu', 'N']
AFLOW prototype label:
A3B_cP4_221_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8222']
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]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.8222, 0, 0], [0, 3.8222, 0], [0, 0, 3.8222]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:33:52      -57.858504         7.630433
BFGS:    1 10:33:52      -58.575598         2.150577
BFGS:    2 10:33:52      -58.647928         0.337045
BFGS:    3 10:33:52      -58.649873         0.019611
BFGS:    4 10:33:52      -58.649880         0.000195
BFGS:    5 10:33:52      -58.649880         0.000000
BFGS:    6 10:33:52      -58.649880         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.63460057099389e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'N']
basis =  [[7.03136867e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.94788583e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.94788583e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.892430041007809, 1.478178763815032e-32, -3.278840388538525e-32], [2.1112036125138762e-32, 3.892430041007809, 2.2896792307942075e-18], [-7.464640920975319e-33, 2.2896792307941998e-18, 3.892430041007809]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.63460057e-14 -4.63460057e-14 -4.63460057e-14  1.35820703e-29
  1.62707969e-33 -6.15192985e-49]
energy per atom =  -14.662469997288063
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0