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 13:52:00      -35.859102        1.0669
BFGS:    1 13:52:00      -35.885315        1.0384
BFGS:    2 13:52:00      -35.948751        0.9152
BFGS:    3 13:52:00      -35.989434        0.7612
BFGS:    4 13:52:00      -36.015339        0.5810
BFGS:    5 13:52:00      -36.032639        0.3766
BFGS:    6 13:52:00      -36.046007        0.2774
BFGS:    7 13:52:00      -36.056254        0.2854
BFGS:    8 13:52:00      -36.063336        0.2401
BFGS:    9 13:52:00      -36.066763        0.1790
BFGS:   10 13:52:00      -36.069355        0.1264
BFGS:   11 13:52:00      -36.072117        0.0988
BFGS:   12 13:52:00      -36.073473        0.0418
BFGS:   13 13:52:00      -36.073755        0.0072
BFGS:   14 13:52:00      -36.073772        0.0013
BFGS:   15 13:52:00      -36.073772        0.0001
BFGS:   16 13:52:00      -36.073772        0.0000
BFGS:   17 13:52:00      -36.073772        0.0000
BFGS:   18 13:52:00      -36.073772        0.0000
BFGS:   19 13:52:00      -36.073772        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.0653254814765869e-09 eV/Angstrom
Maximum stress component: 3.335268843787135e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.91102442e-01 2.91102442e-01 9.90634329e-34]
 [7.08897558e-01 7.08897558e-01 0.00000000e+00]
 [2.08897558e-01 7.91102442e-01 5.00000000e-01]
 [7.91102442e-01 2.08897558e-01 5.00000000e-01]]
cellpar =  Cell([[5.0813167081553345, 1.1395901636594946e-35, -7.440735652262352e-32], [6.300932194639234e-36, 5.081316708155335, -3.686277549622052e-18], [-3.4205373361104973e-32, -1.9455144875570192e-18, 2.916207154704142]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.06532548e-09  1.06532548e-09 -7.72852483e-28]
 [-1.06532548e-09 -1.06532548e-09  7.72841250e-28]
 [-1.06532548e-09  1.06532548e-09 -7.72862593e-28]
 [ 1.06532548e-09 -1.06532548e-09  7.72843497e-28]]
stress =  [-2.63354370e-11 -2.63354370e-11  3.33526884e-10 -4.08209219e-26
 -1.59741858e-42  2.26699914e-58]
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