element(s):
['Cu', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4282']
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.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.4282, 0, 0], [0, 4.4282, 0], [0, 0, 4.4282]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:18      -28.834338         3.851915
BFGS:    1 20:11:18      -29.332846         2.813358
BFGS:    2 20:11:18      -29.683667         1.881227
BFGS:    3 20:11:18      -29.902094         1.046705
BFGS:    4 20:11:18      -30.002149         0.301635
BFGS:    5 20:11:18      -30.011960         0.023704
BFGS:    6 20:11:18      -30.012023         0.000605
BFGS:    7 20:11:18      -30.012023         0.000001
BFGS:    8 20:11:18      -30.012023         0.000000
Minimization converged after 8 steps.
Maximum force component: 4.819625775148144e-30 eV/Angstrom
Maximum stress component: 5.7927063302201076e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 5.67216015e-57 0.00000000e+00]
 [8.96140979e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.551090162151162, -9.614876625795275e-33, 6.541561611618031e-33], [1.5387088432167746e-32, 4.551090162151162, -1.6288953352454583e-18], [-3.9560790345516805e-34, -1.628895335245453e-18, 4.551090162151162]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.99181425e-30 -2.84222354e-30 -3.57732165e-30]
 [ 1.14062918e-30  1.86988391e-31 -4.81962578e-30]
 [-1.32761758e-30 -2.99181425e-30  3.73976782e-30]
 [ 3.59017711e-30  1.89793217e-30  2.54304212e-30]]
stress =  [-5.79270633e-12 -5.79270633e-12 -5.79270633e-12 -3.56957647e-29
 -9.92603742e-61  1.85060574e-60]
energy per atom =  -3.7515028573056015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0