element(s):
['N']
AFLOW prototype label:
A_cP8_198_2a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9467', '0.062777283', '0.95474']
model name:
MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_002
==== Building ASE atoms object with: ====
representative atom symbols = ['N', 'N']
representative atom coordinates = [[0.06277728 0.06277728 0.06277728]
[0.95474 0.95474 0.95474 ]]
spacegroup = 198
cell = [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]
=========================================
Step Time Energy fmax
BFGS: 0 21:34:59 -36.252625 5.864990
BFGS: 1 21:34:59 -34.480103 23.945561
BFGS: 2 21:35:00 -36.994683 2.002749
BFGS: 3 21:35:00 -36.798250 2.744316
BFGS: 4 21:35:00 -37.107007 1.186329
BFGS: 5 21:35:00 -37.062471 2.183011
BFGS: 6 21:35:00 -37.170741 0.843281
BFGS: 7 21:35:00 -37.217406 0.668982
BFGS: 8 21:35:00 -37.302500 1.040272
BFGS: 9 21:35:00 -37.392654 1.219573
BFGS: 10 21:35:00 -37.481451 1.284139
BFGS: 11 21:35:00 -37.567306 1.295681
BFGS: 12 21:35:00 -37.649426 1.281389
BFGS: 13 21:35:00 -37.727508 1.254471
BFGS: 14 21:35:00 -37.801512 1.221562
BFGS: 15 21:35:00 -37.871527 1.186054
BFGS: 16 21:35:00 -37.937703 1.149707
BFGS: 17 21:35:00 -38.000215 1.113446
BFGS: 18 21:35:00 -38.059245 1.077759
BFGS: 19 21:35:01 -38.114976 1.042904
BFGS: 20 21:35:01 -38.167584 1.009011
BFGS: 21 21:35:01 -38.217238 0.976143
BFGS: 22 21:35:01 -38.264102 0.944319
BFGS: 23 21:35:01 -38.308329 0.913540
BFGS: 24 21:35:01 -38.350065 0.883791
BFGS: 25 21:35:01 -38.389448 0.855051
BFGS: 26 21:35:01 -38.426610 0.827294
BFGS: 27 21:35:01 -38.461673 0.800491
BFGS: 28 21:35:01 -38.494755 0.774607
BFGS: 29 21:35:01 -38.526168 0.740752
BFGS: 30 21:35:01 -38.557611 0.662544
BFGS: 31 21:35:01 -38.591164 0.504893
BFGS: 32 21:35:01 -38.619902 0.480609
BFGS: 33 21:35:01 -38.643528 0.337848
BFGS: 34 21:35:01 -38.665505 0.325455
BFGS: 35 21:35:01 -38.686251 0.328427
BFGS: 36 21:35:02 -38.705859 0.332412
BFGS: 37 21:35:02 -38.724396 0.335805
BFGS: 38 21:35:02 -38.741954 0.338666
BFGS: 39 21:35:02 -38.766289 0.358125
BFGS: 40 21:35:02 -38.842098 0.758045
BFGS: 41 21:35:02 -39.010967 0.960181
BFGS: 42 21:35:02 -39.039115 0.439485
BFGS: 43 21:35:02 -39.039181 0.419218
BFGS: 44 21:35:02 -39.040000 0.002759
BFGS: 45 21:35:02 -39.040000 0.000018
BFGS: 46 21:35:02 -39.040000 0.000000
Minimization converged after 46 steps.
Maximum force component: 3.408652619422507e-10 eV/Angstrom
Maximum stress component: 2.2192019556925895e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis = [[0.0544104 0.0544104 0.0544104]
[0.4455896 0.9455896 0.5544104]
[0.9455896 0.5544104 0.4455896]
[0.5544104 0.4455896 0.9455896]
[0.9674998 0.9674998 0.9674998]
[0.5325002 0.0325002 0.4674998]
[0.0325002 0.4674998 0.5325002]
[0.4674998 0.5325002 0.0325002]]
cellpar = Cell([7.307340210723277, 7.307340210723277, 7.307340210723277])
forces = [[-3.40865262e-10 -3.40865262e-10 -3.40865262e-10]
[ 3.40865262e-10 3.40865262e-10 -3.40865262e-10]
[ 3.40865262e-10 -3.40865262e-10 3.40865262e-10]
[-3.40865262e-10 3.40865262e-10 3.40865262e-10]
[ 3.40865262e-10 3.40865262e-10 3.40865262e-10]
[-3.40865262e-10 -3.40865262e-10 3.40865262e-10]
[-3.40865262e-10 3.40865262e-10 -3.40865262e-10]
[ 3.40865262e-10 -3.40865262e-10 -3.40865262e-10]]
stress = [2.21920196e-12 2.21920196e-12 2.21920196e-12 0.00000000e+00
0.00000000e+00 0.00000000e+00]
energy per atom = -4.880000013373638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0