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_002
==== 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 09:29:23       -7.163380         1.140359
BFGS:    1 09:29:23       -7.218989         1.134956
BFGS:    2 09:29:23       -7.387174         1.103378
BFGS:    3 09:29:23       -7.548543         1.042527
BFGS:    4 09:29:23       -7.697941         0.941764
BFGS:    5 09:29:23       -7.828402         0.787471
BFGS:    6 09:29:23       -7.930646         0.562311
BFGS:    7 09:29:23       -7.992465         0.244365
BFGS:    8 09:29:23       -8.002683         0.080131
BFGS:    9 09:29:23       -8.003706         0.007383
BFGS:   10 09:29:23       -8.003715         0.000197
BFGS:   11 09:29:23       -8.003715         0.000000
BFGS:   12 09:29:23       -8.003715         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.773524401158204e-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]
 [0.00000000e+00 6.38885354e-17 6.38885354e-17]]
cellpar =  Cell([[3.1748238103281246, 3.1429115857371574e-32, -2.616579339271907e-32], [2.2976426484833216e-32, 3.1748238103281246, 1.5184312835901436e-17], [4.8275672712852424e-33, 1.5184312835901403e-17, 3.1748238103281246]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.77352440e-12  3.77352440e-12  3.77352440e-12 -5.24619673e-29
 -8.15248377e-34  3.86224832e-50]
energy per atom =  -2.0009287796765345
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0