element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_001
==== Building ASE atoms object with: ====
representative atom symbols = ['N']
representative atom coordinates = [[0.16473467 0.16473467 0.16473467]]
spacegroup = 199
cell = [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
Step Time Energy fmax
BFGS: 0 16:32:41 22.868001 1.144582
BFGS: 1 16:32:41 22.789151 1.183911
BFGS: 2 16:32:41 22.547828 1.281149
BFGS: 3 16:32:41 22.311334 1.346329
BFGS: 4 16:32:41 22.083099 1.381887
BFGS: 5 16:32:41 21.866897 1.389435
BFGS: 6 16:32:41 21.665095 1.370699
BFGS: 7 16:32:41 21.478939 1.327444
BFGS: 8 16:32:41 21.308779 1.261488
BFGS: 9 16:32:41 21.154133 1.174834
BFGS: 10 16:32:41 21.013547 1.069918
BFGS: 11 16:32:41 20.884286 0.949957
BFGS: 12 16:32:41 20.761982 1.025454
BFGS: 13 16:32:41 20.640648 1.196145
BFGS: 14 16:32:41 20.513604 1.379900
BFGS: 15 16:32:41 20.375352 1.577384
BFGS: 16 16:32:41 20.223297 1.787440
BFGS: 17 16:32:41 20.058206 2.008200
BFGS: 18 16:32:41 19.883629 2.238548
BFGS: 19 16:32:41 19.704867 2.479088
BFGS: 20 16:32:41 19.525741 2.730873
BFGS: 21 16:32:41 19.346479 2.993446
BFGS: 22 16:32:41 19.167311 3.266333
BFGS: 23 16:32:41 18.988494 3.549035
BFGS: 24 16:32:41 18.810323 3.841059
BFGS: 25 16:32:41 18.633136 4.141936
BFGS: 26 16:32:41 18.457311 4.451200
BFGS: 27 16:32:41 18.283272 4.768411
BFGS: 28 16:32:41 18.111485 5.093157
BFGS: 29 16:32:41 17.942454 5.425062
BFGS: 30 16:32:41 17.776720 5.763774
BFGS: 31 16:32:41 17.614850 6.108958
BFGS: 32 16:32:41 17.457433 6.460294
BFGS: 33 16:32:41 17.305064 6.817465
BFGS: 34 16:32:41 17.158329 7.180128
BFGS: 35 16:32:41 17.017781 7.547896
BFGS: 36 16:32:41 16.883913 7.920287
BFGS: 37 16:32:41 16.757115 8.296675
BFGS: 38 16:32:41 16.637616 8.676207
BFGS: 39 16:32:41 16.548357 5.853125
BFGS: 40 16:32:41 16.557879 8.779519
BFGS: 41 16:32:41 16.509636 8.762694
BFGS: 42 16:32:41 21.341219 127.724580
BFGS: 43 16:32:41 16.246351 6.002710
BFGS: 44 16:32:41 16.086237 5.470394
BFGS: 45 16:32:41 15.624799 3.730104
BFGS: 46 16:32:41 15.295887 2.163009
BFGS: 47 16:32:41 15.083100 1.060345
BFGS: 48 16:32:41 14.971015 0.444571
BFGS: 49 16:32:41 14.944418 0.633982
BFGS: 50 16:32:41 14.943701 0.512489
BFGS: 51 16:32:41 14.943457 0.318289
BFGS: 52 16:32:41 14.943313 0.075780
BFGS: 53 16:32:41 14.943295 0.003001
BFGS: 54 16:32:41 14.943295 0.001668
BFGS: 55 16:32:41 14.943295 0.000223
BFGS: 56 16:32:41 14.943295 0.000006
BFGS: 57 16:32:41 14.943295 0.000000
BFGS: 58 16:32:41 14.943295 0.000000
Minimization converged after 58 steps.
Maximum force component: 7.997090027226744e-10 eV/Angstrom
Maximum stress component: 1.0546694617411187e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis = [[0.18378745 0.18378745 0.18378745]
[0.31621255 0.81621255 0.68378745]
[0.81621255 0.68378745 0.31621255]
[0.68378745 0.31621255 0.81621255]
[0.68378745 0.68378745 0.68378745]
[0.81621255 0.31621255 0.18378745]
[0.31621255 0.18378745 0.81621255]
[0.18378745 0.81621255 0.31621255]]
cellpar = Cell([3.0255064743844695, 3.0255064743844695, 3.0255064743844695])
forces = [[ 7.99709003e-10 7.99709003e-10 7.99709003e-10]
[-7.99709003e-10 -7.99709003e-10 7.99709003e-10]
[-7.99709003e-10 7.99709003e-10 -7.99709003e-10]
[ 7.99709003e-10 -7.99709003e-10 -7.99709003e-10]
[ 7.99709003e-10 7.99709003e-10 7.99709003e-10]
[-7.99709003e-10 -7.99709003e-10 7.99709003e-10]
[-7.99709003e-10 7.99709003e-10 -7.99709003e-10]
[ 7.99709003e-10 -7.99709003e-10 -7.99709003e-10]]
stress = [-1.05466946e-10 -1.05466946e-10 -1.05466946e-10 0.00000000e+00
0.00000000e+00 0.00000000e+00]
energy per atom = 1.8679118250225473
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0