element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tP6_136_a_f
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0427', '0.61086323', '0.29659081']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.29659081 0.29659081 0.        ]]
spacegroup =  136
cell =  [[5.0427, 0, 0], [0, 5.0427, 0], [0, 0, 3.0804]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:20      -35.859102         1.066873
BFGS:    1 16:23:20      -35.885315         1.038416
BFGS:    2 16:23:20      -35.948751         0.915233
BFGS:    3 16:23:20      -35.989434         0.761193
BFGS:    4 16:23:20      -36.015339         0.581025
BFGS:    5 16:23:20      -36.032639         0.376633
BFGS:    6 16:23:20      -36.046007         0.277376
BFGS:    7 16:23:20      -36.056254         0.285367
BFGS:    8 16:23:20      -36.063336         0.240073
BFGS:    9 16:23:20      -36.066763         0.178971
BFGS:   10 16:23:20      -36.069355         0.126356
BFGS:   11 16:23:20      -36.072117         0.098834
BFGS:   12 16:23:20      -36.073473         0.041771
BFGS:   13 16:23:20      -36.073755         0.007240
BFGS:   14 16:23:20      -36.073772         0.001321
BFGS:   15 16:23:20      -36.073772         0.000097
BFGS:   16 16:23:20      -36.073772         0.000006
BFGS:   17 16:23:20      -36.073772         0.000000
BFGS:   18 16:23:20      -36.073772         0.000000
BFGS:   19 16:23:20      -36.073772         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.0653229800053345e-09 eV/Angstrom
Maximum stress component: 3.3352718369845923e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.29110244 0.29110244 0.        ]
 [0.70889756 0.70889756 0.        ]
 [0.20889756 0.79110244 0.5       ]
 [0.79110244 0.20889756 0.5       ]]
cellpar =  Cell([[5.081316708155337, 3.249365984181895e-36, -2.5286912679348696e-32], [-3.127653687268629e-36, 5.081316708155337, -8.237341343439666e-18], [7.278978283400983e-33, -4.97766283733871e-18, 2.916207154704142]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.06532298e-09  1.06532298e-09 -1.72696309e-27]
 [-1.06532298e-09 -1.06532298e-09  1.72696309e-27]
 [-1.06532298e-09  1.06532298e-09 -1.72694287e-27]
 [ 1.06532298e-09 -1.06532298e-09  1.72694399e-27]]
stress =  [-2.63344476e-11 -2.63344476e-11  3.33527184e-10 -1.04459314e-25
  1.66362646e-33 -5.02701318e-49]
energy per atom =  -6.012295367466083
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0