___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 19.8.1 |___|_| User: adrian@node505.cluster Date: Fri Jul 1 19:30:34 2022 Arch: x86_64 Pid: 1170 Python: 3.6.12 gpaw: /software/kemi/gpaw/19.8.1/gpaw _gpaw: /software/kemi/gpaw/19.8.1/bin/gpaw-python ase: /software/kemi/ase/3.19.0/ase (version 3.19.0) numpy: /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1) scipy: /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1) libxc: 4.2.3 units: Angstrom and eV cores: 80 Input parameters: basis: dzp h: 0.2 kpts: [3 2 1] maxiter: 1500 mixer: {backend: pulay, beta: 0.02, method: sum, nmaxold: 5, weight: 100} occupations: {name: fermi-dirac, width: 0.1} poissonsolver: {dipolelayer: 2, name: fast, nn: 3} spinpol: True xc: RPBE System changes: positions, numbers, cell, pbc, initial_charges, initial_magmoms Initialize ... O-setup: name: Oxygen id: 08071ca1eed670e7821b24b7eb4d558c Z: 8 valence: 6 core: 2 charge: 0.0 file: /software/kemi/gpaw-setups/0.9.20000/O.RPBE.gz compensation charges: gauss, rc=0.21, lmax=2 cutoffs: 1.17(filt), 0.83(core), valence states: energy radius 2s(2.00) -24.041 0.688 2p(4.00) -8.984 0.598 *s 3.170 0.688 *p 18.228 0.598 *d 0.000 0.619 LCAO basis set for O: Name: dzp File: /software/kemi/gpaw-setups/0.9.20000/O.dzp.basis.gz Number of radial functions: 5 Number of spherical harmonics: 13 l=0, rc=4.3438 Bohr: 2s-sz confined orbital l=1, rc=5.3906 Bohr: 2p-sz confined orbital l=0, rc=2.2969 Bohr: 2s-dz split-valence wave l=1, rc=2.8906 Bohr: 2p-dz split-valence wave l=2, rc=5.3906 Bohr: d-type Gaussian polarization Ru-setup: name: Ruthenium id: 76477906e28f51dc1b29884d53556fe9 Z: 44 valence: 16 core: 28 charge: 0.0 file: /software/kemi/gpaw-setups/0.9.20000/Ru.RPBE.gz compensation charges: gauss, rc=0.39, lmax=2 cutoffs: 2.16(filt), 1.30(core), valence states: energy radius 4s(2.00) -76.255 1.281 5s(1.00) -4.126 1.281 4p(6.00) -46.371 1.286 5p(0.00) -0.913 1.286 4d(7.00) -5.146 1.254 *d 22.066 1.254 LCAO basis set for Ru: Name: dzp File: /software/kemi/gpaw-setups/0.9.20000/Ru.dzp.basis.gz Number of radial functions: 11 Number of spherical harmonics: 29 l=0, rc=3.2969 Bohr: 4s-sz confined orbital l=0, rc=9.6875 Bohr: 5s-sz confined orbital l=1, rc=3.7656 Bohr: 4p-sz confined orbital l=1, rc=14.0938 Bohr: 5p-sz confined orbital l=2, rc=6.3281 Bohr: 4d-sz confined orbital l=0, rc=2.0781 Bohr: 4s-dz split-valence wave l=0, rc=5.8281 Bohr: 5s-dz split-valence wave l=1, rc=2.4219 Bohr: 4p-dz split-valence wave l=1, rc=8.7031 Bohr: 5p-dz split-valence wave l=2, rc=3.7500 Bohr: 4d-dz split-valence wave l=1, rc=9.6875 Bohr: p-type Gaussian polarization Ni-setup: name: Nickel id: 67af12844637c2bfa1919a3ee5b47106 Z: 28 valence: 16 core: 12 charge: 0.0 file: /software/kemi/gpaw-setups/0.9.20000/Ni.RPBE.gz compensation charges: gauss, rc=0.36, lmax=2 cutoffs: 2.14(filt), 1.98(core), valence states: energy radius 4s(2.00) -5.557 1.164 3p(6.00) -71.403 1.207 4p(0.00) -1.222 1.207 3d(8.00) -8.814 1.138 *s 21.654 1.164 *d 18.397 1.138 LCAO basis set for Ni: Name: dzp File: /software/kemi/gpaw-setups/0.9.20000/Ni.dzp.basis.gz Number of radial functions: 9 Number of spherical harmonics: 27 l=0, rc=8.5156 Bohr: 4s-sz confined orbital l=1, rc=2.9375 Bohr: 3p-sz confined orbital l=1, rc=12.4062 Bohr: 4p-sz confined orbital l=2, rc=4.6875 Bohr: 3d-sz confined orbital l=0, rc=4.9688 Bohr: 4s-dz split-valence wave l=1, rc=2.0781 Bohr: 3p-dz split-valence wave l=1, rc=7.5469 Bohr: 4p-dz split-valence wave l=2, rc=2.9375 Bohr: 3d-dz split-valence wave l=1, rc=8.5156 Bohr: p-type Gaussian polarization Reference energy: -2814583.819745 Spin-polarized calculation. Magnetic moment: 8.400000 Occupation numbers: Fermi-Dirac: width=0.1000 eV Convergence criteria: Maximum total energy change: 0.0005 eV / electron Maximum integral of absolute density change: 0.0001 electrons Maximum integral of absolute eigenstate change: 4e-08 eV^2 Maximum number of iterations: 1500 Symmetries present (total): 1 ( 1 0 0) ( 0 1 0) ( 0 0 1) 6 k-points: 3 x 2 x 1 Monkhorst-Pack grid 3 k-points in the irreducible part of the Brillouin zone k-points in crystal coordinates weights 0: 0.00000000 0.25000000 0.00000000 2/6 1: 0.33333333 -0.25000000 0.00000000 2/6 2: 0.33333333 0.25000000 0.00000000 2/6 Wave functions: Uniform real-space grid Kinetic energy operator: 6*3+1=19 point O(h^6) finite-difference Laplacian ScaLapack parameters: grid=1x1, blocksize=None Wavefunction extrapolation: Improved wavefunction reuse through dual PAW basis Eigensolver Davidson(niter=2, smin=None, normalize=True) Densities: Coarse grid: 32*48*208 grid Fine grid: 64*96*416 grid Total Charge: 0.000000 Density mixing: Method: sum Backend: pulay Linear mixing parameter: 0.02 Mixing with 5 old densities Damping of long wave oscillations: 100 Hamiltonian: XC and Coulomb potentials evaluated on a 64*96*416 grid Using the RPBE Exchange-Correlation functional Interpolation: tri-quintic (5. degree polynomial) Poisson solver: FastPoissonSolver using 6*3+1=19 point O(h^6) finite-difference Laplacian stencil; FFT axes: [0, 1]; FST axes: [2]. Dipole correction along z-axis XC parameters: RPBE with 2 nearest neighbor stencil Memory estimate: Process memory now: 83.71 MiB Calculator: 233.91 MiB Density: 6.62 MiB Arrays: 2.10 MiB Localized functions: 3.94 MiB Mixer: 0.59 MiB Hamiltonian: 1.82 MiB Arrays: 1.56 MiB XC: 0.00 MiB Poisson: 0.00 MiB vbar: 0.26 MiB Wavefunctions: 225.46 MiB Arrays psit_nG: 147.66 MiB Eigensolver: 76.73 MiB Projections: 0.52 MiB Projectors: 0.55 MiB Total number of cores used: 80 Parallelization over k-points and spin: 2 Domain decomposition: 2 x 2 x 10 Number of atoms: 74 Number of atomic orbitals: 1340 Number of bands in calculation: 420 Bands to converge: occupied states only Number of valence electrons: 684 ... initialized Initializing position-dependent things. Density initialized from atomic densities Creating initial wave functions: 420 bands from LCAO basis set ONi O O O Ni ORu O O O O Ni Ru O Ru ORu O O Ru O O O Ru O Ru O O ORu Ru O O RuO O Ru Ru O O O O Ru Ru O O ORu O O Ru RuO O O Ru O Ru O O O Ru O Ru O Positions: 0 O 0.000000 0.000000 16.954527 ( 0.0000, 0.0000, 0.0000) 1 O 3.197700 0.000000 16.243168 ( 0.0000, 0.0000, 0.0000) 2 O 1.243169 1.554357 15.000000 ( 0.0000, 0.0000, 0.0000) 3 O 5.152232 1.554357 15.000000 ( 0.0000, 0.0000, 0.0000) 4 O 3.196500 0.001441 20.155395 ( 0.0000, 0.0000, 0.0000) 5 O 0.000000 0.000000 19.440864 ( 0.0000, 0.0000, 0.0000) 6 O 4.440869 1.554357 18.197695 ( 0.0000, 0.0000, 0.0000) 7 O 1.954532 1.554357 18.197695 ( 0.0000, 0.0000, 0.0000) 8 O -0.003264 0.037854 23.343816 ( 0.0000, 0.0000, 0.0000) 9 O 3.194346 -0.009014 22.669712 ( 0.0000, 0.0000, 0.0000) 10 O 1.244235 1.557894 21.402300 ( 0.0000, 0.0000, 0.0000) 11 O 5.142524 1.557596 21.400500 ( 0.0000, 0.0000, 0.0000) 12 O -0.008059 0.051703 25.840492 ( 0.0000, 0.0000, 0.0000) 13 O 4.414891 1.461250 24.668834 ( 0.0000, 0.0000, 0.0000) 14 O 0.000000 3.108715 16.954527 ( 0.0000, 0.0000, 0.0000) 15 O 3.197700 3.108715 16.243168 ( 0.0000, 0.0000, 0.0000) 16 O 1.243169 4.663072 15.000000 ( 0.0000, 0.0000, 0.0000) 17 O 5.152232 4.663072 15.000000 ( 0.0000, 0.0000, 0.0000) 18 O 3.195579 3.118628 20.164472 ( 0.0000, 0.0000, 0.0000) 19 O -0.000000 3.108715 19.440864 ( 0.0000, 0.0000, 0.0000) 20 O 4.440869 4.663072 18.197695 ( 0.0000, 0.0000, 0.0000) 21 O 1.954532 4.663072 18.197695 ( 0.0000, 0.0000, 0.0000) 22 O -0.004454 3.049579 23.366748 ( 0.0000, 0.0000, 0.0000) 23 O 3.195636 3.100125 22.691631 ( 0.0000, 0.0000, 0.0000) 24 O 1.226906 4.658372 21.436419 ( 0.0000, 0.0000, 0.0000) 25 O 5.163188 4.658313 21.435178 ( 0.0000, 0.0000, 0.0000) 26 O -0.000129 3.121130 25.756581 ( 0.0000, 0.0000, 0.0000) 27 O 4.467986 4.750864 24.569851 ( 0.0000, 0.0000, 0.0000) 28 O 1.919790 4.752213 24.569774 ( 0.0000, 0.0000, 0.0000) 29 O 0.000000 6.217430 16.954527 ( 0.0000, 0.0000, 0.0000) 30 O 3.197700 6.217430 16.243168 ( 0.0000, 0.0000, 0.0000) 31 O 1.243169 7.771787 15.000000 ( 0.0000, 0.0000, 0.0000) 32 O 5.152232 7.771787 15.000000 ( 0.0000, 0.0000, 0.0000) 33 O 3.196634 6.211364 20.158935 ( 0.0000, 0.0000, 0.0000) 34 O -0.000000 6.217430 19.440864 ( 0.0000, 0.0000, 0.0000) 35 O 4.440869 7.771787 18.197695 ( 0.0000, 0.0000, 0.0000) 36 O 1.954532 7.771787 18.197695 ( 0.0000, 0.0000, 0.0000) 37 O -0.005195 6.264291 23.382455 ( 0.0000, 0.0000, 0.0000) 38 O 3.195029 6.241720 22.544057 ( 0.0000, 0.0000, 0.0000) 39 O 1.243357 7.779854 21.402196 ( 0.0000, 0.0000, 0.0000) 40 O 5.145752 7.780484 21.401426 ( 0.0000, 0.0000, 0.0000) 41 O -0.005188 6.150854 25.937320 ( 0.0000, 0.0000, 0.0000) 42 O 4.403212 7.770138 24.727437 ( 0.0000, 0.0000, 0.0000) 43 O 1.986848 7.770697 24.728788 ( 0.0000, 0.0000, 0.0000) 44 O 3.197700 0.000000 13.756832 ( 0.0000, 0.0000, 0.0000) 45 O 3.197700 3.108715 13.756832 ( 0.0000, 0.0000, 0.0000) 46 O 3.197700 6.217430 13.756832 ( 0.0000, 0.0000, 0.0000) 47 Ru 0.000000 0.000000 15.000000 ( 0.0000, 0.0000, 0.0000) 48 Ru 3.197700 1.554357 15.000000 ( 0.0000, 0.0000, 0.0000) 49 Ru 3.197700 0.000000 18.197695 ( 0.0000, 0.0000, 0.0000) 50 Ru 0.000000 1.554357 18.197695 ( 0.0000, 0.0000, 0.0000) 51 Ru -0.003266 -0.003295 21.437248 ( 0.0000, 0.0000, 0.0000) 52 Ru 3.194136 1.548411 21.457932 ( 0.0000, 0.0000, 0.0000) 53 Ru 3.195850 -0.043487 25.049122 ( 0.0000, 0.0000, 0.0000) 54 Ru -0.002666 1.511710 24.705126 ( 0.0000, 0.0000, 0.0000) 55 Ru -0.000000 3.108715 15.000000 ( 0.0000, 0.0000, 0.0000) 56 Ru 3.197700 4.663072 15.000000 ( 0.0000, 0.0000, 0.0000) 57 Ru 3.197700 3.108715 18.197695 ( 0.0000, 0.0000, 0.0000) 58 Ru 0.000000 4.663072 18.197695 ( 0.0000, 0.0000, 0.0000) 59 Ru -0.003521 3.102401 21.439322 ( 0.0000, 0.0000, 0.0000) 60 Ru 3.194895 4.639457 21.444253 ( 0.0000, 0.0000, 0.0000) 61 Ru -0.003326 4.781266 24.778793 ( 0.0000, 0.0000, 0.0000) 62 Ru -0.000000 6.217430 15.000000 ( 0.0000, 0.0000, 0.0000) 63 Ru 3.197700 7.771787 15.000000 ( 0.0000, 0.0000, 0.0000) 64 Ru 3.197700 6.217430 18.197695 ( 0.0000, 0.0000, 0.0000) 65 Ru 0.000000 7.771787 18.197695 ( 0.0000, 0.0000, 0.0000) 66 Ru -0.002948 6.227059 21.454083 ( 0.0000, 0.0000, 0.0000) 67 Ru 3.195093 7.811316 21.434493 ( 0.0000, 0.0000, 0.0000) 68 O 3.189152 3.198266 26.363982 ( 0.0000, 0.0000, 0.0000) 69 O 3.203757 0.034701 26.717303 ( 0.0000, 0.0000, 0.0000) 70 Ni 3.194701 6.253354 24.473460 ( 0.0000, 0.0000, 2.8000) 71 Ni 3.195164 3.147814 24.654093 ( 0.0000, 0.0000, 2.8000) 72 O 1.976120 1.458409 24.670501 ( 0.0000, 0.0000, 0.0000) 73 Ni -0.003594 7.814223 24.657455 ( 0.0000, 0.0000, 2.8000) Unit cell: periodic x y z points spacing 1. axis: yes 6.395400 0.000000 0.000000 32 0.1999 2. axis: yes -0.000000 9.326144 0.000000 48 0.1943 3. axis: no 0.000000 -0.000000 41.547612 208 0.1997 Lengths: 6.395400 9.326144 41.547612 Angles: 90.000000 90.000000 90.000000 Effective grid spacing dv^(1/3) = 0.1979 log10-error: total iterations: time wfs density energy fermi poisson magmom iter: 1 19:32:37 +0.45 +inf -664.633943 3 1 +0.1026 iter: 2 19:33:37 -0.41 -1.08 -672.093926 37 1 +0.0251 iter: 3 19:34:36 -0.78 -1.08 -629.560576 36 1 +1.0668 iter: 4 19:35:36 -0.84 -1.11 -590.543767 37 1 +2.2571 iter: 5 19:36:36 -1.52 -1.18 -571.829915 37 1 +1.1427 iter: 6 19:37:35 -0.64 -1.23 -633.851690 37 1 +2.4644 iter: 7 19:38:34 -0.62 -1.12 -566.304226 38 1 +1.1594 iter: 8 19:39:34 -1.55 -1.21 -532.136594 35 1 +3.5997 iter: 9 19:40:33 -1.16 -1.37 -522.727223 3 1 +4.9971 iter: 10 19:41:32 -2.00 -1.47 -520.857147 4 1 +4.6690 iter: 11 19:42:32 -2.06 -1.50 -520.955231 2 1 +4.5475 iter: 12 19:43:31 -2.06 -1.50 -518.987646 3 1 +4.2942 iter: 13 19:44:31 -2.22 -1.55 -518.173460 3 1 +4.5853 iter: 14 19:45:31 -2.15 -1.58 -518.326700 4 1 +3.3240 iter: 15 19:46:30 -2.45 -1.63 -518.531538 3 1 +2.9081 iter: 16 19:47:30 -2.56 -1.64 -517.876769 4 1 +3.3688 iter: 17 19:48:29 -2.19 -1.63 -519.374729 3 1 +4.5428 iter: 18 19:49:29 -2.14 -1.67 -519.399208 4 1 +4.3736 iter: 19 19:50:29 -2.41 -1.85 -518.754886 4 1 +4.6484 iter: 20 19:51:28 -2.15 -1.89 -518.742960 4 1 +3.8152 iter: 21 19:52:28 -2.18 -1.88 -518.491109 4 1 +4.4023 iter: 22 19:53:27 -2.52 -2.08 -518.475346 3 1 +4.5662 iter: 23 19:54:26 -3.07 -2.16 -518.423254 3 1 +4.5677 iter: 24 19:55:26 -2.89 -2.23 -518.250227 3 1 +4.1806 iter: 25 19:56:26 -3.28 -2.34 -518.278727 3 1 +3.8142 iter: 26 19:57:25 -3.33 -2.30 -518.215035 3 1 +4.0506 iter: 27 19:58:24 -3.37 -2.40 -518.202538 3 1 +4.2630 iter: 28 19:59:24 -3.13 -2.43 -518.232861 3 1 +4.0624 iter: 29 20:00:23 -3.69 -2.48 -518.216226 3 1 +4.0385 iter: 30 20:01:22 -4.01 -2.52 -518.166660 3 1 +3.9880 iter: 31 20:02:22 -4.30 -2.58 -518.151841 2 1 +3.8841 iter: 32 20:03:22 -4.03 -2.61 -518.157450 3 1 +4.0222 iter: 33 20:04:22 -3.96 -2.62 -518.180739 3 1 +4.1572 iter: 34 20:05:21 -3.61 -2.63 -518.149285 3 1 +4.0570 iter: 35 20:06:20 -4.12 -2.74 -518.140202 2 1 +3.9519 iter: 36 20:07:20 -4.31 -2.77 -518.151184 2 1 +3.8826 iter: 37 20:08:19 -4.34 -2.75 -518.138770 3 1 +3.9213 iter: 38 20:09:19 -4.82 -2.78 -518.140733 2 1 +3.9144 iter: 39 20:10:19 -4.45 -2.80 -518.151206 3 1 +3.8140 iter: 40 20:11:18 -4.71 -2.85 -518.155691 2 1 +3.7995 iter: 41 20:12:18 -4.64 -2.80 -518.169544 3 1 +3.6367 iter: 42 20:13:18 -4.26 -2.75 -518.149579 3 1 +3.6778 iter: 43 20:14:18 -4.56 -2.84 -518.158357 2 1 +3.7262 iter: 44 20:15:17 -4.82 -2.83 -518.163224 2 1 +3.7502 iter: 45 20:16:17 -4.87 -2.84 -518.162601 2 1 +3.8685 iter: 46 20:17:17 -4.76 -2.87 -518.164671 3 1 +3.9209 iter: 47 20:18:16 -4.31 -2.88 -518.157536 3 1 +3.8100 iter: 48 20:19:15 -4.55 -2.91 -518.164342 2 1 +3.6774 iter: 49 20:20:15 -3.95 -2.87 -518.150931 3 1 +3.8553 iter: 50 20:21:22 -4.46 -2.93 -518.167043 2 1 +3.9842 iter: 51 20:22:22 -4.06 -2.93 -518.157074 3 1 +3.8675 iter: 52 20:23:21 -4.46 -2.98 -518.166237 3 1 +3.7441 iter: 53 20:24:20 -4.53 -3.01 -518.166989 3 1 +3.6534 iter: 54 20:25:20 -4.33 -2.98 -518.163961 3 1 +3.7496 iter: 55 20:26:19 -4.52 -3.07 -518.173108 2 1 +3.9054 iter: 56 20:27:19 -4.49 -3.24 -518.188976 2 1 +4.0109 iter: 57 20:28:19 -4.47 -3.24 -518.191919 3 1 +4.0821 iter: 58 20:29:18 -4.62 -3.22 -518.186612 3 1 +4.1078 iter: 59 20:30:18 -5.11 -3.20 -518.179390 2 1 +4.1318 iter: 60 20:31:18 -5.66 -3.12 -518.183391 2 1 +4.1438 iter: 61 20:32:17 -5.27 -3.13 -518.185829 3 1 +4.1211 iter: 62 20:33:17 -4.90 -3.24 -518.181445 3 1 +4.0771 iter: 63 20:34:17 -4.98 -3.28 -518.175188 2 1 +4.0243 iter: 64 20:35:16 -4.93 -3.34 -518.175221 2 1 +3.9364 iter: 65 20:36:15 -4.59 -3.32 -518.184195 3 1 +3.9820 iter: 66 20:37:15 -5.05 -3.42 -518.186494 2 1 +4.0461 iter: 67 20:38:14 -5.13 -3.41 -518.192199 2 1 +4.0871 iter: 68 20:39:13 -5.06 -3.40 -518.192071 2 1 +4.1040 iter: 69 20:40:13 -5.16 -3.45 -518.187160 2 1 +4.1011 iter: 70 20:41:12 -5.39 -3.54 -518.184940 2 1 +4.0663 iter: 71 20:42:12 -5.34 -3.67 -518.183892 2 1 +4.0141 iter: 72 20:43:12 -5.07 -3.62 -518.184500 2 1 +3.9940 iter: 73 20:44:11 -5.31 -3.58 -518.184430 2 1 +3.9652 iter: 74 20:45:10 -5.35 -3.52 -518.182703 2 1 +3.9803 iter: 75 20:46:10 -5.86 -3.56 -518.183944 2 1 +3.9934 iter: 76 20:47:09 -6.22 -3.58 -518.184214 2 1 +3.9914 iter: 77 20:48:09 -5.58 -3.56 -518.185228 2 1 +4.0465 iter: 78 20:49:08 -5.34 -3.68 -518.191966 2 1 +4.1173 iter: 79 20:50:08 -5.18 -3.60 -518.193823 2 1 +4.1554 iter: 80 20:51:08 -5.01 -3.58 -518.190574 2 1 +4.1667 iter: 81 20:52:08 -5.25 -3.62 -518.186476 2 1 +4.1312 iter: 82 20:53:08 -5.67 -3.68 -518.187941 2 1 +4.0914 iter: 83 20:54:08 -5.62 -3.73 -518.186130 2 1 +4.0657 iter: 84 20:55:08 -5.57 -3.70 -518.188046 2 1 +4.0837 iter: 85 20:56:07 -5.65 -3.79 -518.190551 2 1 +4.1189 iter: 86 20:57:07 -5.84 -3.79 -518.193604 2 1 +4.1556 iter: 87 20:58:06 -5.64 -3.72 -518.197645 2 1 +4.2064 iter: 88 20:59:05 -5.28 -3.72 -518.195079 2 1 +4.2200 iter: 89 21:00:05 -5.56 -3.89 -518.195359 2 1 +4.2455 iter: 90 21:01:04 -6.13 -3.75 -518.196111 2 1 +4.2679 iter: 91 21:02:03 -5.19 -3.72 -518.192623 3 1 +4.2100 iter: 92 21:03:02 -5.09 -3.76 -518.195212 2 1 +4.1638 iter: 93 21:04:02 -4.95 -3.72 -518.195160 2 1 +4.1750 iter: 94 21:05:01 -5.25 -3.72 -518.194242 2 1 +4.1734 iter: 95 21:06:01 -5.94 -3.76 -518.194266 2 1 +4.1753 iter: 96 21:07:00 -5.54 -3.78 -518.192614 2 1 +4.1313 iter: 97 21:08:00 -5.18 -3.54 -518.195211 3 1 +4.1470 iter: 98 21:08:59 -5.05 -3.67 -518.196442 2 1 +4.2074 iter: 99 21:09:59 -5.28 -3.78 -518.195990 2 1 +4.2092 iter: 100 21:10:58 -6.23 -3.92 -518.196990 2 1 +4.2172 iter: 101 21:11:58 -5.77 -3.91 -518.201722 2 1 +4.2664 iter: 102 21:12:57 -5.72 -4.11 -518.203249 2 1 +4.3197 iter: 103 21:13:57 -5.83 -4.14 -518.204090 2 1 +4.3482 iter: 104 21:14:57 -6.01 -4.14 -518.204087 2 1 +4.3582 iter: 105 21:15:56 -6.32 -4.19 -518.203900 2 1 +4.3636 iter: 106 21:16:55 -6.67 -4.14 -518.203395 2 1 +4.3584 iter: 107 21:17:55 -7.32 -4.16 -518.203552 2 1 +4.3568 iter: 108 21:18:54 -6.59 -4.16 -518.205803 2 1 +4.3664 iter: 109 21:19:53 -6.68 -4.17 -518.205592 2 1 +4.3744 iter: 110 21:20:52 -6.53 -4.13 -518.206331 2 1 +4.3890 iter: 111 21:21:51 -6.44 -4.05 -518.206440 2 1 +4.3997 iter: 112 21:22:51 -6.78 -4.02 -518.206824 2 1 +4.4092 iter: 113 21:23:50 -7.07 -4.03 -518.206994 2 1 +4.4155 iter: 114 21:24:49 -6.18 -4.03 -518.205363 2 1 +4.3927 iter: 115 21:25:49 -6.52 -4.12 -518.205403 2 1 +4.3806 iter: 116 21:26:48 -6.08 -4.04 -518.208671 2 1 +4.4079 iter: 117 21:27:48 -5.93 -4.14 -518.210166 2 1 +4.4502 iter: 118 21:28:47 -5.96 -4.06 -518.212549 2 1 +4.4902 iter: 119 21:29:47 -5.95 -4.00 -518.213150 2 1 +4.5145 iter: 120 21:30:47 -6.06 -3.92 -518.212631 2 1 +4.5194 iter: 121 21:31:46 -5.79 -3.89 -518.218567 2 1 +4.5815 iter: 122 21:32:45 -5.67 -3.83 -518.222938 2 1 +4.6409 iter: 123 21:33:44 -5.60 -3.70 -518.223067 2 1 +4.6702 iter: 124 21:34:43 -5.36 -3.71 -518.218809 2 1 +4.5945 iter: 125 21:35:43 -5.65 -3.56 -518.218580 2 1 +4.6000 iter: 126 21:36:42 -5.90 -3.65 -518.220041 2 1 +4.6296 iter: 127 21:37:42 -4.55 -3.68 -518.234560 3 1 +4.8732 iter: 128 21:38:41 -4.39 -3.67 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