element(s):
['N']
AFLOW prototype label:
A_cI20_217_ce
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:
['5.878', '0.63332537', '0.28144238']
model name:
MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_002
==== Building ASE atoms object with: ====
representative atom symbols = ['N', 'N']
representative atom coordinates = [[0.13332537 0.13332537 0.13332537]
[0.28144238 0. 0. ]]
spacegroup = 217
cell = [[5.878, 0, 0], [0, 5.878, 0], [0, 0, 5.878]]
=========================================
Step Time Energy fmax
BFGS: 0 21:02:19 35.805441 10.134320
BFGS: 1 21:02:19 27.593234 10.773138
BFGS: 2 21:02:19 19.065995 11.007337
BFGS: 3 21:02:19 10.517271 10.663662
BFGS: 4 21:02:19 2.446093 9.450492
BFGS: 5 21:02:19 -4.257605 6.895883
BFGS: 6 21:02:19 -8.132606 2.320469
BFGS: 7 21:02:19 -8.447147 1.398459
BFGS: 8 21:02:19 -8.546400 1.063070
BFGS: 9 21:02:19 -8.639649 0.907141
BFGS: 10 21:02:19 -8.774226 0.776781
BFGS: 11 21:02:19 -8.906866 0.776628
BFGS: 12 21:02:19 -9.038871 0.853526
BFGS: 13 21:02:19 -9.169911 0.896565
BFGS: 14 21:02:19 -9.299404 0.917194
BFGS: 15 21:02:19 -9.426775 0.925591
BFGS: 16 21:02:19 -9.551526 0.924526
BFGS: 17 21:02:19 -9.673268 0.913815
BFGS: 18 21:02:19 -9.791711 0.896236
BFGS: 19 21:02:19 -9.906663 0.873860
BFGS: 20 21:02:19 -10.018010 0.848229
BFGS: 21 21:02:19 -10.125704 0.820489
BFGS: 22 21:02:19 -10.229746 0.791578
BFGS: 23 21:02:19 -10.330925 0.786815
BFGS: 24 21:02:19 -10.435411 0.879378
BFGS: 25 21:02:19 -10.564710 1.106426
BFGS: 26 21:02:19 -10.767436 1.498316
BFGS: 27 21:02:19 -11.115458 1.632704
BFGS: 28 21:02:19 -11.321897 1.056230
BFGS: 29 21:02:19 -11.399508 0.863434
BFGS: 30 21:02:19 -11.472605 0.725088
BFGS: 31 21:02:19 -11.508522 0.634219
BFGS: 32 21:02:19 -11.558396 0.445954
BFGS: 33 21:02:19 -11.628085 0.533372
BFGS: 34 21:02:19 -11.818578 2.464794
BFGS: 35 21:02:20 -12.368856 2.007644
BFGS: 36 21:02:20 -12.352321 4.203700
BFGS: 37 21:02:20 -12.727806 2.125500
BFGS: 38 21:02:20 -12.872476 1.082956
BFGS: 39 21:02:20 -12.974406 0.711369
BFGS: 40 21:02:20 -13.023486 0.324137
BFGS: 41 21:02:20 -13.028703 0.145443
BFGS: 42 21:02:20 -13.028971 0.135694
BFGS: 43 21:02:20 -13.030337 0.010865
BFGS: 44 21:02:20 -13.030348 0.001122
BFGS: 45 21:02:20 -13.030348 0.000052
BFGS: 46 21:02:20 -13.030348 0.000001
BFGS: 47 21:02:20 -13.030348 0.000000
Minimization converged after 47 steps.
Maximum force component: 3.3812040204731866e-09 eV/Angstrom
Maximum stress component: 6.721519982326762e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis = [[1.03993167e-01 1.03993167e-01 1.03993167e-01]
[8.96006833e-01 8.96006833e-01 1.03993167e-01]
[8.96006833e-01 1.03993167e-01 8.96006833e-01]
[1.03993167e-01 8.96006833e-01 8.96006833e-01]
[6.03993167e-01 6.03993167e-01 6.03993167e-01]
[3.96006833e-01 3.96006833e-01 6.03993167e-01]
[3.96006833e-01 6.03993167e-01 3.96006833e-01]
[6.03993167e-01 3.96006833e-01 3.96006833e-01]
[2.13924833e-01 5.18805564e-34 9.49437389e-34]
[7.86075167e-01 3.41260936e-33 1.03323463e-33]
[9.53788678e-34 2.13924833e-01 1.04009996e-33]
[1.03081803e-33 7.86075167e-01 5.26168213e-33]
[5.17650641e-34 1.56014993e-33 2.13924833e-01]
[3.41342929e-33 0.00000000e+00 7.86075167e-01]
[7.13924833e-01 5.00000000e-01 5.00000000e-01]
[2.86075167e-01 5.00000000e-01 5.00000000e-01]
[5.00000000e-01 7.13924833e-01 5.00000000e-01]
[5.00000000e-01 2.86075167e-01 5.00000000e-01]
[5.00000000e-01 5.00000000e-01 7.13924833e-01]
[5.00000000e-01 5.00000000e-01 2.86075167e-01]]
cellpar = Cell([[6.295704342344645, -5.518678597139706e-34, -4.3065643098592275e-33], [3.132128780141722e-32, 6.295704342344645, -5.989476307623193e-18], [-1.392821905297847e-32, -5.989476307623197e-18, 6.295704342344645]])
forces = [[-3.38120402e-09 -3.38120402e-09 -3.38120402e-09]
[ 3.38120402e-09 3.38120402e-09 -3.38120402e-09]
[ 3.38120402e-09 -3.38120402e-09 3.38120402e-09]
[-3.38120402e-09 3.38120402e-09 3.38120402e-09]
[-3.38120402e-09 -3.38120402e-09 -3.38120402e-09]
[ 3.38120402e-09 3.38120402e-09 -3.38120402e-09]
[ 3.38120402e-09 -3.38120402e-09 3.38120402e-09]
[-3.38120402e-09 3.38120402e-09 3.38120402e-09]
[ 1.73942490e-10 -5.17336982e-31 1.44854355e-30]
[-1.73942490e-10 -8.27739171e-31 1.18985809e-43]
[ 8.27739171e-31 1.73942490e-10 -1.66309529e-28]
[-6.20804378e-31 -1.73942490e-10 1.64654051e-28]
[-6.20804378e-31 -1.63619377e-28 1.73942490e-10]
[-8.27739171e-31 1.65481790e-28 -1.73942490e-10]
[ 1.73942490e-10 -6.20804378e-31 1.44854355e-30]
[-1.73942490e-10 -8.27739171e-31 1.18985809e-43]
[ 8.27739171e-31 1.73942490e-10 -1.66309529e-28]
[-3.10402189e-31 -1.73942490e-10 1.64654051e-28]
[-8.27739171e-31 -1.64033246e-28 1.73942490e-10]
[-8.27739171e-31 1.65481790e-28 -1.73942490e-10]]
stress = [ 6.72151998e-11 6.72151998e-11 6.72151998e-11 -2.62157180e-26
1.32684602e-32 -2.66147210e-48]
energy per atom = -0.6515174214232305
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0