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:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001
==== 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 15:04:28       -7.163380         1.140359
BFGS:    1 15:04:28       -7.218989         1.134956
BFGS:    2 15:04:28       -7.387174         1.103378
BFGS:    3 15:04:28       -7.548543         1.042527
BFGS:    4 15:04:28       -7.697941         0.941764
BFGS:    5 15:04:28       -7.828402         0.787471
BFGS:    6 15:04:28       -7.930646         0.562311
BFGS:    7 15:04:28       -7.992465         0.244365
BFGS:    8 15:04:28       -8.002683         0.080131
BFGS:    9 15:04:28       -8.003706         0.007383
BFGS:   10 15:04:28       -8.003715         0.000197
BFGS:   11 15:04:28       -8.003715         0.000000
BFGS:   12 15:04:28       -8.003715         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7732375994262105e-12 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]
 [4.78543356e-65 6.38885354e-17 6.38885354e-17]]
cellpar =  Cell([[3.1748238103281246, -2.9668595752340064e-33, -2.5387245227344734e-32], [-1.6070239276864837e-32, 3.1748238103281246, 3.288914389692126e-17], [2.000366246098687e-32, 3.288914389692125e-17, 3.1748238103281246]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.77323760e-12  3.77323760e-12  3.77323760e-12 -4.63311248e-28
  3.26099351e-33 -1.83995299e-49]
energy per atom =  -2.000928779676534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0