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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
==== 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 10:55:28 -33.200530 4.311684
BFGS: 1 10:55:28 -32.290516 12.797831
BFGS: 2 10:55:28 -33.654051 1.690034
BFGS: 3 10:55:28 -33.847600 1.581459
BFGS: 4 10:55:29 -34.092759 1.482972
BFGS: 5 10:55:29 -34.309334 1.406759
BFGS: 6 10:55:29 -34.511068 1.340411
BFGS: 7 10:55:29 -34.702973 1.280155
BFGS: 8 10:55:29 -34.887085 1.224314
BFGS: 9 10:55:29 -35.064313 1.171940
BFGS: 10 10:55:29 -35.235102 1.122429
BFGS: 11 10:55:30 -35.399705 1.075377
BFGS: 12 10:55:30 -35.558291 1.030500
BFGS: 13 10:55:30 -35.710999 0.987593
BFGS: 14 10:55:30 -35.857960 0.946501
BFGS: 15 10:55:30 -35.999305 0.907100
BFGS: 16 10:55:30 -36.135171 0.869291
BFGS: 17 10:55:31 -36.265697 0.832991
BFGS: 18 10:55:31 -36.391030 0.798127
BFGS: 19 10:55:31 -36.511318 0.764636
BFGS: 20 10:55:31 -36.626713 0.732461
BFGS: 21 10:55:31 -36.737366 0.701548
BFGS: 22 10:55:31 -36.843431 0.671850
BFGS: 23 10:55:31 -36.945060 0.643320
BFGS: 24 10:55:32 -37.042403 0.615916
BFGS: 25 10:55:32 -37.135609 0.589598
BFGS: 26 10:55:32 -37.224825 0.564325
BFGS: 27 10:55:32 -37.310194 0.540062
BFGS: 28 10:55:32 -37.391856 0.516771
BFGS: 29 10:55:32 -37.469951 0.494419
BFGS: 30 10:55:33 -37.544612 0.472973
BFGS: 31 10:55:33 -37.615969 0.452399
BFGS: 32 10:55:33 -37.684151 0.432670
BFGS: 33 10:55:33 -37.749294 0.421481
BFGS: 34 10:55:33 -37.811675 0.413991
BFGS: 35 10:55:33 -37.871780 0.403478
BFGS: 36 10:55:33 -37.930258 0.389973
BFGS: 37 10:55:34 -37.987904 0.384551
BFGS: 38 10:55:34 -38.046576 0.394888
BFGS: 39 10:55:34 -38.107106 0.410269
BFGS: 40 10:55:34 -38.169842 0.428051
BFGS: 41 10:55:34 -38.234541 0.444205
BFGS: 42 10:55:34 -38.300245 0.453456
BFGS: 43 10:55:35 -38.363385 0.470005
BFGS: 44 10:55:35 -38.423585 0.546006
BFGS: 45 10:55:35 -38.476638 0.542400
BFGS: 46 10:55:35 -38.518321 0.317185
BFGS: 47 10:55:35 -38.553579 0.587760
BFGS: 48 10:55:35 -38.588704 0.852533
BFGS: 49 10:55:36 -38.631289 0.977103
BFGS: 50 10:55:36 -38.687208 1.104288
BFGS: 51 10:55:36 -38.763049 1.261600
BFGS: 52 10:55:36 -38.861571 1.392398
BFGS: 53 10:55:36 -38.967804 1.343530
BFGS: 54 10:55:36 -39.034700 0.826669
BFGS: 55 10:55:36 -39.039931 0.103810
BFGS: 56 10:55:37 -39.040000 0.006164
BFGS: 57 10:55:37 -39.040000 0.000013
BFGS: 58 10:55:37 -39.040000 0.000000
Minimization converged after 58 steps.
Maximum force component: 7.527737322376995e-10 eV/Angstrom
Maximum stress component: 3.865271245914478e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis = [[0.04487983 0.04487983 0.04487983]
[0.45512017 0.95512017 0.54487983]
[0.95512017 0.54487983 0.45512017]
[0.54487983 0.45512017 0.95512017]
[0.9645815 0.9645815 0.9645815 ]
[0.5354185 0.0354185 0.4645815 ]
[0.0354185 0.4645815 0.5354185 ]
[0.4645815 0.5354185 0.0354185 ]]
cellpar = Cell([7.909071357764145, 7.909071357764145, 7.909071357764145])
forces = [[-7.52773732e-10 -7.52773732e-10 -7.52773732e-10]
[ 7.52773732e-10 7.52773732e-10 -7.52773732e-10]
[ 7.52773732e-10 -7.52773732e-10 7.52773732e-10]
[-7.52773732e-10 7.52773732e-10 7.52773732e-10]
[ 7.52773732e-10 7.52773732e-10 7.52773732e-10]
[-7.52773732e-10 -7.52773732e-10 7.52773732e-10]
[-7.52773732e-10 7.52773732e-10 -7.52773732e-10]
[ 7.52773732e-10 -7.52773732e-10 -7.52773732e-10]]
stress = [3.86527125e-12 3.86527125e-12 3.86527125e-12 0.00000000e+00
0.00000000e+00 0.00000000e+00]
energy per atom = -4.879999994596931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0