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:
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]
 [0.5 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 09:37:21      -13.964005         3.769525
BFGS:    1 09:37:21      -14.393742         2.020439
BFGS:    2 09:37:21      -14.586740         0.603693
BFGS:    3 09:37:21      -14.608583         0.087961
BFGS:    4 09:37:21      -14.609087         0.004817
BFGS:    5 09:37:21      -14.609089         0.000041
BFGS:    6 09:37:21      -14.609089         0.000000
BFGS:    7 09:37:21      -14.609089         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.1324081582865464e-15 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 3.90874307e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.941788774435547, 3.0020655546498685e-32, 3.4680210884005145e-33], [3.2367954122764745e-32, 3.941788774435547, -9.006305074308391e-18], [-1.3361669051385686e-32, -9.006305074308386e-18, 3.941788774435547]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.13240816e-15 -5.13240816e-15 -5.13240816e-15  1.82701905e-31
 -5.88729012e-63 -3.16791638e-63]
energy per atom =  -3.65227223392111
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0