___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 19.8.1 |___|_| User: adrian@node490.cluster Date: Sat Jul 2 03:52:35 2022 Arch: x86_64 Pid: 22505 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: -2978342.916744 Spin-polarized calculation. Magnetic moment: 2.800000 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: 83.52 MiB Calculator: 232.16 MiB Density: 6.66 MiB Arrays: 2.10 MiB Localized functions: 3.98 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: 223.67 MiB Arrays psit_nG: 146.60 MiB Eigensolver: 76.00 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: 1344 Number of bands in calculation: 417 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: 417 bands from LCAO basis set O Ru O O O Ni ORu O O O O RuO Ru O Ru ORu O O Ru O O O Ru O Ru O O ORu Ru O O RuO Ru Ru O O O O Ru Ru O O ORu 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 3.199730 -0.004258 20.182679 ( 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 -0.006147 0.003484 23.334482 ( 0.0000, 0.0000, 0.0000) 9 O 3.203553 -0.002429 22.709988 ( 0.0000, 0.0000, 0.0000) 10 O 1.249238 1.552635 21.409725 ( 0.0000, 0.0000, 0.0000) 11 O 5.155171 1.553376 21.403719 ( 0.0000, 0.0000, 0.0000) 12 O 0.003381 0.032281 25.764488 ( 0.0000, 0.0000, 0.0000) 13 O 4.413000 1.551456 24.625508 ( 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 3.199598 3.111843 20.183355 ( 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 -0.005678 3.100499 23.333899 ( 0.0000, 0.0000, 0.0000) 23 O 3.203410 3.108834 22.708363 ( 0.0000, 0.0000, 0.0000) 24 O 1.248496 4.672144 21.412611 ( 0.0000, 0.0000, 0.0000) 25 O 5.155403 4.671109 21.408253 ( 0.0000, 0.0000, 0.0000) 26 O 0.003340 3.074038 25.762750 ( 0.0000, 0.0000, 0.0000) 27 O 4.451045 4.617985 24.694816 ( 0.0000, 0.0000, 0.0000) 28 O 1.941714 4.617687 24.664706 ( 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 3.200550 6.217144 20.180116 ( 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 -0.005173 6.216406 23.389229 ( 0.0000, 0.0000, 0.0000) 38 O 3.205773 6.217162 22.704095 ( 0.0000, 0.0000, 0.0000) 39 O 1.248602 7.761669 21.412771 ( 0.0000, 0.0000, 0.0000) 40 O 5.154898 7.762493 21.408164 ( 0.0000, 0.0000, 0.0000) 41 O 4.450351 7.813305 24.700473 ( 0.0000, 0.0000, 0.0000) 42 O 1.941382 7.811261 24.670589 ( 0.0000, 0.0000, 0.0000) 43 O 3.197700 0.000000 13.756832 ( 0.0000, 0.0000, 0.0000) 44 O 3.197700 3.108715 13.756832 ( 0.0000, 0.0000, 0.0000) 45 O 3.197700 6.217430 13.756832 ( 0.0000, 0.0000, 0.0000) 46 Ru 0.000000 0.000000 15.000000 ( 0.0000, 0.0000, 0.0000) 47 Ru 3.197700 1.554357 15.000000 ( 0.0000, 0.0000, 0.0000) 48 Ru 3.197700 0.000000 18.197695 ( 0.0000, 0.0000, 0.0000) 49 Ru 0.000000 1.554357 18.197695 ( 0.0000, 0.0000, 0.0000) 50 Ru 0.003538 -0.013239 21.396429 ( 0.0000, 0.0000, 0.0000) 51 Ru 3.202582 1.553172 21.468934 ( 0.0000, 0.0000, 0.0000) 52 Ru 3.191766 -0.031675 24.895630 ( 0.0000, 0.0000, 0.0000) 53 Ru -0.005416 1.552153 24.670139 ( 0.0000, 0.0000, 0.0000) 54 Ru -0.000000 3.108715 15.000000 ( 0.0000, 0.0000, 0.0000) 55 Ru 3.197700 4.663072 15.000000 ( 0.0000, 0.0000, 0.0000) 56 Ru 3.197700 3.108715 18.197695 ( 0.0000, 0.0000, 0.0000) 57 Ru 0.000000 4.663072 18.197695 ( 0.0000, 0.0000, 0.0000) 58 Ru 0.003855 3.120197 21.396226 ( 0.0000, 0.0000, 0.0000) 59 Ru 3.202308 4.663398 21.466004 ( 0.0000, 0.0000, 0.0000) 60 Ru 3.192113 3.135473 24.891350 ( 0.0000, 0.0000, 0.0000) 61 Ru -0.002640 4.610808 24.624469 ( 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 0.003614 6.216977 21.413915 ( 0.0000, 0.0000, 0.0000) 67 Ru 3.202155 7.770861 21.466584 ( 0.0000, 0.0000, 0.0000) 68 Ru -0.002990 7.820055 24.626188 ( 0.0000, 0.0000, 0.0000) 69 O 3.176281 6.208423 26.413047 ( 0.0000, 0.0000, 0.0000) 70 O 3.181001 3.027280 26.578098 ( 0.0000, 0.0000, 0.0000) 71 O 3.176239 0.079196 26.582339 ( 0.0000, 0.0000, 0.0000) 72 Ni 3.194008 6.214408 24.681200 ( 0.0000, 0.0000, 2.8000) 73 O 1.968035 1.551706 24.606188 ( 0.0000, 0.0000, 0.0000) 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 03:54:38 +0.44 +inf -633.145353 3 1 +0.0745 iter: 2 03:55:37 -0.34 -1.10 -723.266008 35 1 +0.0074 iter: 3 03:56:36 -0.84 -1.02 -598.431153 36 1 +0.0449 iter: 4 03:57:35 -0.49 -1.16 -557.065363 37 1 +1.4255 iter: 5 03:58:34 -0.97 -1.25 -541.589662 4 1 +1.3999 iter: 6 03:59:33 -1.42 -1.34 -534.208877 4 1 +0.0556 iter: 7 04:00:32 -1.18 -1.39 -529.975583 36 1 +0.5537 iter: 8 04:01:32 -1.37 -1.44 -524.819284 4 1 +0.7187 iter: 9 04:02:31 -1.90 -1.51 -524.318842 4 1 +1.5570 iter: 10 04:03:30 -2.06 -1.52 -523.446672 3 1 +1.5643 iter: 11 04:04:29 -2.31 -1.55 -523.140231 3 1 +2.3006 iter: 12 04:05:28 -2.24 -1.58 -526.042512 3 1 +2.5053 iter: 13 04:06:28 -2.26 -1.54 -523.740547 3 1 +2.3365 iter: 14 04:07:27 -2.57 -1.57 -522.804895 3 1 +1.8203 iter: 15 04:08:27 -1.76 -1.61 -523.862382 3 1 +0.8472 iter: 16 04:09:26 -2.03 -1.75 -523.022878 4 1 +1.0131 iter: 17 04:10:25 -2.19 -1.81 -523.507408 4 1 +1.5898 iter: 18 04:11:24 -2.26 -1.83 -523.127211 4 1 +1.3327 iter: 19 04:12:23 -2.41 -1.88 -525.249295 3 1 +0.9772 iter: 20 04:13:22 -1.94 -1.81 -523.357357 4 1 +1.4577 iter: 21 04:14:21 -2.48 -2.08 -523.413853 3 1 +1.6950 iter: 22 04:15:20 -2.81 -2.08 -523.449914 3 1 +2.4457 iter: 23 04:16:20 -2.60 -2.14 -522.936674 3 1 +2.2311 iter: 24 04:17:19 -2.77 -2.32 -522.885350 3 1 +2.1506 iter: 25 04:18:19 -3.23 -2.38 -522.801614 3 1 +1.9264 iter: 26 04:19:18 -3.72 -2.46 -522.804500 3 1 +1.7856 iter: 27 04:20:17 -3.64 -2.45 -522.850980 3 1 +1.4370 iter: 28 04:21:16 -3.45 -2.43 -523.051234 3 1 +1.0585 iter: 29 04:22:16 -3.37 -2.37 -523.127903 3 1 +0.9828 iter: 30 04:23:15 -3.63 -2.37 -523.108529 2 1 +0.9856 iter: 31 04:24:14 -3.28 -2.37 -522.748951 4 1 +1.1851 iter: 32 04:25:13 -3.13 -2.36 -522.635894 3 1 +1.9866 iter: 33 04:26:12 -2.97 -2.46 -522.702319 4 1 +1.8029 iter: 34 04:27:11 -3.64 -2.55 -522.660600 3 1 +1.9398 iter: 35 04:28:10 -3.50 -2.62 -522.700076 2 1 +2.3123 iter: 36 04:29:09 -3.62 -2.56 -522.834860 3 1 +2.7329 iter: 37 04:30:09 -3.38 -2.59 -522.844102 3 1 +2.8265 iter: 38 04:31:09 -3.84 -2.59 -522.950783 3 1 +2.8836 iter: 39 04:32:08 -4.21 -2.57 -522.975638 2 1 +2.9044 iter: 40 04:33:07 -4.56 -2.57 -522.991511 2 1 +2.9111 iter: 41 04:34:06 -3.54 -2.56 -522.961409 3 1 +2.8469 iter: 42 04:35:05 -3.42 -2.58 -522.763661 3 1 +2.8344 iter: 43 04:36:04 -3.98 -2.50 -522.724929 2 1 +2.7153 iter: 44 04:37:03 -3.13 -2.55 -523.177279 4 1 +2.8318 iter: 45 04:38:02 -3.30 -2.47 -522.894864 3 1 +2.9106 iter: 46 04:39:01 -3.83 -2.58 -523.006133 3 1 +2.9359 iter: 47 04:40:00 -4.33 -2.56 -522.964327 3 1 +2.9393 iter: 48 04:40:59 -2.98 -2.56 -522.636843 4 1 +2.3558 iter: 49 04:41:59 -3.04 -2.56 -522.733947 3 1 +2.3369 iter: 50 04:42:58 -3.59 -2.60 -522.696647 3 1 +2.2058 iter: 51 04:43:58 -3.53 -2.70 -522.695213 3 1 +2.4647 iter: 52 04:44:57 -3.87 -2.75 -522.692337 3 1 +2.4635 iter: 53 04:45:56 -3.61 -2.76 -522.808355 3 1 +2.8201 iter: 54 04:46:55 -3.56 -2.70 -522.899815 3 1 +2.9688 iter: 55 04:47:54 -3.55 -2.60 -522.748153 3 1 +2.9510 iter: 56 04:48:53 -3.96 -2.70 -522.765953 3 1 +2.9277 iter: 57 04:49:52 -4.11 -2.63 -522.726200 3 1 +2.8680 iter: 58 04:50:51 -3.90 -2.62 -522.711851 3 1 +2.6973 iter: 59 04:51:50 -3.24 -2.56 -522.716986 3 1 +2.5959 iter: 60 04:52:49 -3.40 -2.79 -522.755976 3 1 +2.2474 iter: 61 04:53:49 -3.38 -2.75 -522.728449 3 1 +2.0954 iter: 62 04:54:48 -3.38 -2.97 -522.678405 3 1 +2.1679 iter: 63 04:55:47 -4.12 -3.01 -522.676091 2 1 +2.2539 iter: 64 04:56:46 -4.15 -3.03 -522.673581 3 1 +2.4134 iter: 65 04:57:45 -3.98 -3.02 -522.711580 3 1 +2.7085 iter: 66 04:58:44 -3.85 -2.97 -522.748829 3 1 +2.8786 iter: 67 04:59:43 -3.67 -2.96 -522.734795 3 1 +2.9106 iter: 68 05:00:43 -4.12 -3.06 -522.744258 2 1 +2.9522 iter: 69 05:01:42 -4.66 -2.97 -522.747145 3 1 +2.9885 iter: 70 05:02:41 -4.50 -2.96 -522.730655 3 1 +2.9797 iter: 71 05:03:40 -3.78 -2.96 -522.697356 3 1 +2.7591 iter: 72 05:04:40 -3.76 -3.22 -522.738789 3 1 +2.4316 iter: 73 05:05:39 -3.42 -3.04 -522.694915 3 1 +2.5217 iter: 74 05:06:38 -4.08 -3.23 -522.712145 3 1 +2.4601 iter: 75 05:07:38 -4.05 -3.21 -522.748405 3 1 +2.2094 iter: 76 05:08:37 -4.02 -2.98 -522.795461 3 1 +1.9225 iter: 77 05:09:36 -3.54 -2.83 -522.674358 3 1 +1.9981 iter: 78 05:10:35 -4.18 -2.80 -522.683379 3 1 +2.0186 iter: 79 05:11:34 -4.03 -2.80 -522.774109 3 1 +1.8013 iter: 80 05:12:33 -3.55 -2.77 -522.939754 3 1 +1.5757 iter: 81 05:13:32 -3.61 -2.60 -522.839103 3 1 +1.5416 iter: 82 05:14:32 -3.29 -2.69 -522.588771 3 1 +1.8141 iter: 83 05:15:30 -3.41 -2.76 -522.577249 3 1 +2.3793 iter: 84 05:16:30 -3.20 -2.96 -522.684083 3 1 +2.2675 iter: 85 05:17:29 -3.46 -3.12 -522.737969 3 1 +1.9660 iter: 86 05:18:28 -3.90 -2.90 -522.798863 3 1 +1.6979 iter: 87 05:19:27 -3.84 -2.76 -522.862326 2 1 +1.5464 iter: 88 05:20:27 -3.77 -2.65 -522.682219 3 1 +1.6335 iter: 89 05:21:26 -4.14 -2.78 -522.754977 3 1 +1.6002 iter: 90 05:22:24 -4.22 -2.74 -522.807312 3 1 +1.5534 iter: 91 05:23:23 -3.96 -2.70 -522.748095 3 1 +1.5136 iter: 92 05:24:22 -2.85 -2.66 -522.820824 4 1 +3.0004 iter: 93 05:25:21 -2.49 -2.50 -522.785681 4 1 +3.0953 iter: 94 05:26:20 -3.13 -2.79 -522.730606 3 1 +3.0013 iter: 95 05:27:20 -3.83 -3.15 -522.737765 3 1 +2.9995 iter: 96 05:28:19 -4.11 -3.20 -522.758840 3 1 +3.0679 iter: 97 05:29:19 -3.58 -3.07 -522.731153 3 1 +2.8256 iter: 98 05:30:18 -3.23 -3.06 -522.731680 3 1 +2.8674 iter: 99 05:31:17 -3.55 -3.17 -522.785546 3 1 +3.0562 iter: 100 05:32:16 -3.56 -2.99 -522.737891 3 1 +3.0498 iter: 101 05:33:15 -3.99 -3.12 -522.790556 3 1 +3.0940 iter: 102 05:34:13 -3.64 -2.77 -522.933374 3 1 +3.2335 iter: 103 05:35:12 -3.63 -2.73 -522.990767 3 1 +3.1734 iter: 104 05:36:12 -3.18 -2.69 -523.322560 3 1 +3.1276 iter: 105 05:37:11 -2.74 -2.64 -522.729190 4 1 +3.1776 iter: 106 05:38:10 -3.23 -2.75 -522.757162 3 1 +2.9866 iter: 107 05:39:09 -2.85 -2.61 -522.764400 3 1 +2.3531 iter: 108 05:40:09 -3.00 -2.87 -522.718862 4 1 +2.3056 iter: 109 05:41:07 -3.47 -3.01 -522.721781 3 1 +2.2595 iter: 110 05:42:07 -3.83 -2.97 -522.718032 3 1 +2.1530 iter: 111 05:43:06 -3.95 -3.00 -522.689792 3 1 +2.1695 iter: 112 05:44:05 -3.45 -3.05 -522.730318 3 1 +2.3301 iter: 113 05:45:03 -3.48 -2.55 -522.714661 3 1 +2.7483 iter: 114 05:46:03 -3.58 -3.19 -522.759163 3 1 +2.9594 iter: 115 05:47:02 -3.74 -3.07 -522.799234 2 1 +3.1122 iter: 116 05:48:01 -3.88 -2.96 -522.823785 3 1 +3.1915 iter: 117 05:49:00 -4.18 -2.90 -522.853281 3 1 +3.2311 iter: 118 05:49:59 -4.23 -2.87 -522.942684 3 1 +3.2597 iter: 119 05:50:58 -4.25 -2.79 -522.890723 3 1 +3.2456 iter: 120 05:51:58 -3.78 -2.81 -523.034515 3 1 +3.3142 iter: 121 05:52:57 -3.46 -2.78 -522.845731 3 1 +3.3198 iter: 122 05:53:56 -3.26 -2.81 -523.096693 3 1 +3.3016 iter: 123 05:54:55 -2.39 -2.73 -522.917547 4 1 +1.9348 iter: 124 05:55:54 -2.34 -2.44 -523.033400 4 1 +1.6357 iter: 125 05:56:53 -2.64 -2.63 -522.935059 4 1 +1.6188 iter: 126 05:57:52 -3.30 -2.64 -522.991391 3 1 +1.5830 iter: 127 05:58:51 -3.76 -2.65 -522.902058 3 1 +1.6038 iter: 128 05:59:50 -3.40 -2.67 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