___ ___ ___ _ _ _ | | |_ | | | | | | | | | . | | | | |__ | _|___|_____| 19.8.1 |___|_| User: adrian@node419.cluster Date: Sat Jun 11 00:20:17 2022 Arch: x86_64 Pid: 5586 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 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 H-setup: name: Hydrogen id: ea3f9156a1dc40d47a60fdce8f8bd75d Z: 1 valence: 1 core: 0 charge: 0.0 file: /software/kemi/gpaw-setups/0.9.20000/H.RPBE.gz compensation charges: gauss, rc=0.15, lmax=2 cutoffs: 0.85(filt), 0.53(core), valence states: energy radius 1s(1.00) -6.572 0.476 *s 20.639 0.476 *p 0.000 0.476 LCAO basis set for H: Name: dzp File: /software/kemi/gpaw-setups/0.9.20000/H.dzp.basis.gz Number of radial functions: 3 Number of spherical harmonics: 5 l=0, rc=6.4219 Bohr: 1s-sz confined orbital l=0, rc=3.6094 Bohr: 1s-dz split-valence wave l=1, rc=6.4219 Bohr: p-type Gaussian polarization Reference energy: -2898519.016369 Spin-polarized calculation. Magnetic moment: 5.600000 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: 0.05 Mixing with 5 old densities Damping of long wave oscillations: 50 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: 83.60 MiB Calculator: 235.16 MiB Density: 6.67 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: 0.27 MiB Wavefunctions: 226.67 MiB Arrays psit_nG: 148.36 MiB Eigensolver: 77.23 MiB Projections: 0.53 MiB Projectors: 0.56 MiB Total number of cores used: 80 Parallelization over k-points and spin: 2 Domain decomposition: 2 x 2 x 10 Number of atoms: 76 Number of atomic orbitals: 1360 Number of bands in calculation: 422 Bands to converge: occupied states only Number of valence electrons: 691 ... initialized Initializing position-dependent things. Density initialized from atomic densities Creating initial wave functions: 422 bands from LCAO basis set H O ORu O O O Ni Ni O Ru O O O Ru O O ORu O O Ru RuO O O Ru O Ru O O ORu Ru O O RuO 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 3.195782 -0.003606 20.162439 ( 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 -0.030681 0.058982 23.367899 ( 0.0000, 0.0000, 0.0000) 9 O 3.211100 0.028889 22.733265 ( 0.0000, 0.0000, 0.0000) 10 O 1.238698 1.553186 21.408644 ( 0.0000, 0.0000, 0.0000) 11 O 5.148945 1.555502 21.387280 ( 0.0000, 0.0000, 0.0000) 12 O 0.006999 0.007294 25.721590 ( 0.0000, 0.0000, 0.0000) 13 O 4.416509 1.594047 24.702341 ( 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 3.192660 3.113692 20.177737 ( 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 -0.021935 3.089434 23.334783 ( 0.0000, 0.0000, 0.0000) 23 O 3.213435 3.094984 22.634587 ( 0.0000, 0.0000, 0.0000) 24 O 1.247319 4.675814 21.417300 ( 0.0000, 0.0000, 0.0000) 25 O 5.144610 4.676927 21.409669 ( 0.0000, 0.0000, 0.0000) 26 O 0.006604 3.041570 25.845116 ( 0.0000, 0.0000, 0.0000) 27 O 4.407341 4.622077 24.642435 ( 0.0000, 0.0000, 0.0000) 28 O 1.974646 4.585982 24.556513 ( 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 3.194389 6.227643 20.178979 ( 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 -0.013806 6.285016 23.366714 ( 0.0000, 0.0000, 0.0000) 38 O 3.218328 6.221264 22.669975 ( 0.0000, 0.0000, 0.0000) 39 O 1.240865 7.789254 21.422968 ( 0.0000, 0.0000, 0.0000) 40 O 5.150669 7.787350 21.415065 ( 0.0000, 0.0000, 0.0000) 41 O 0.120604 6.170814 25.933467 ( 0.0000, 0.0000, 0.0000) 42 O 4.421006 7.786483 24.683041 ( 0.0000, 0.0000, 0.0000) 43 O 1.955982 7.824226 24.591050 ( 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 -0.005985 0.006817 21.409308 ( 0.0000, 0.0000, 0.0000) 52 Ru 3.193494 1.548799 21.457087 ( 0.0000, 0.0000, 0.0000) 53 Ru 3.196667 -0.030983 24.884810 ( 0.0000, 0.0000, 0.0000) 54 Ru 0.000864 1.619987 24.695913 ( 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 -0.004586 3.126059 21.426570 ( 0.0000, 0.0000, 0.0000) 60 Ru 3.195259 4.664285 21.450289 ( 0.0000, 0.0000, 0.0000) 61 Ru 3.196464 3.173002 24.984573 ( 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 -0.003837 6.221759 21.445297 ( 0.0000, 0.0000, 0.0000) 67 Ru 3.194189 7.789080 21.463446 ( 0.0000, 0.0000, 0.0000) 68 Ru -0.002669 7.768429 24.650400 ( 0.0000, 0.0000, 0.0000) 69 O 3.153581 3.141384 26.655209 ( 0.0000, 0.0000, 0.0000) 70 O 3.153054 0.035364 26.572465 ( 0.0000, 0.0000, 0.0000) 71 Ni 3.171911 6.191219 24.651417 ( 0.0000, 0.0000, 2.8000) 72 Ni 0.006456 4.595696 24.641381 ( 0.0000, 0.0000, 2.8000) 73 O 1.982418 1.595330 24.653841 ( 0.0000, 0.0000, 0.0000) 74 H 1.066996 6.146806 26.291974 ( 0.0000, 0.0000, 0.0000) 75 O 2.840298 6.197236 26.378708 ( 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 00:22:22 +0.45 +inf -670.235391 3 1 +0.0627 iter: 2 00:23:25 +0.39 -1.07 -1182.021217 4 1 +0.1429 iter: 3 00:24:28 -0.05 -0.84 -651.428106 38 1 +1.1756 iter: 4 00:25:32 -0.83 -1.10 -573.105704 35 1 +0.4453 iter: 5 00:26:36 -0.48 -1.24 -692.593034 35 1 +2.2956 iter: 6 00:27:39 -0.59 -1.08 -587.935484 34 1 +0.0908 iter: 7 00:28:43 -1.31 -1.26 -553.000189 35 1 +0.4171 iter: 8 00:29:47 -1.20 -1.38 -540.044044 38 1 +1.7679 iter: 9 00:30:50 -1.42 -1.44 -535.385229 36 1 +1.8726 iter: 10 00:31:54 -1.74 -1.50 -532.973596 4 1 +2.3814 iter: 11 00:32:57 -1.59 -1.53 -563.336220 3 1 +4.0032 iter: 12 00:34:01 -1.48 -1.33 -541.150657 3 1 +1.6243 iter: 13 00:35:04 -1.82 -1.42 -535.911145 4 1 +2.2780 iter: 14 00:36:07 -2.21 -1.53 -534.304877 3 1 +2.6701 iter: 15 00:37:11 -2.14 -1.58 -532.805479 4 1 +2.7975 iter: 16 00:38:14 -2.13 -1.66 -535.706132 3 1 +1.8113 iter: 17 00:39:18 -2.54 -1.62 -532.622855 3 1 +2.1952 iter: 18 00:40:22 -2.67 -1.70 -536.874715 3 1 +1.8774 iter: 19 00:41:25 -2.59 -1.59 -531.928266 3 1 +2.5368 iter: 20 00:42:29 -2.25 -1.74 -532.484575 4 1 +2.5934 iter: 21 00:43:32 -2.90 -1.80 -531.708837 4 1 +3.4250 iter: 22 00:44:36 -2.31 -1.84 -534.758713 37 1 +3.5239 iter: 23 00:45:39 -2.15 -1.74 -535.869120 37 1 +2.7197 iter: 24 00:46:43 -2.31 -1.70 -531.899966 3 1 +3.2686 iter: 25 00:47:47 -2.51 -2.09 -532.109826 3 1 +3.1043 iter: 26 00:48:50 -2.64 -2.01 -531.918759 3 1 +2.4911 iter: 27 00:49:53 -3.08 -2.13 -531.622181 3 1 +2.4533 iter: 28 00:50:57 -3.32 -2.22 -531.624832 3 1 +2.5072 iter: 29 00:52:00 -2.99 -2.19 -531.860595 4 1 +3.0608 iter: 30 00:53:04 -2.95 -2.20 -531.684091 3 1 +3.4228 iter: 31 00:54:07 -2.96 -2.43 -531.739594 3 1 +3.3833 iter: 32 00:55:10 -3.06 -2.33 -531.572536 2 1 +3.3262 iter: 33 00:56:14 -3.80 -2.40 -531.622672 3 1 +3.2448 iter: 34 00:57:17 -2.66 -2.34 -532.955386 4 1 +1.9541 iter: 35 00:58:21 -2.41 -1.98 -531.655629 4 1 +2.0797 iter: 36 00:59:24 -2.93 -2.27 -531.354161 3 1 +2.3605 iter: 37 01:00:27 -3.13 -2.58 -531.338940 3 1 +2.5867 iter: 38 01:01:31 -3.29 -2.58 -531.366734 3 1 +3.0442 iter: 39 01:02:34 -3.63 -2.64 -531.455336 3 1 +3.3250 iter: 40 01:03:38 -3.62 -2.66 -531.473593 3 1 +3.3816 iter: 41 01:04:42 -3.79 -2.63 -531.570391 3 1 +3.3507 iter: 42 01:05:45 -4.04 -2.51 -531.516967 2 1 +3.4882 iter: 43 01:06:48 -3.95 -2.58 -531.552394 3 1 +3.5262 iter: 44 01:07:52 -3.77 -2.51 -531.384216 3 1 +3.3967 iter: 45 01:08:56 -3.28 -2.55 -531.333831 2 1 +2.9097 iter: 46 01:09:59 -3.34 -2.70 -531.386407 3 1 +2.8727 iter: 47 01:11:02 -3.69 -2.73 -531.431928 3 1 +2.6239 iter: 48 01:12:06 -3.44 -2.52 -531.391114 3 1 +2.8545 iter: 49 01:13:09 -3.70 -2.74 -531.457566 3 1 +2.8952 iter: 50 01:14:13 -3.74 -2.56 -531.452999 3 1 +3.1930 iter: 51 01:15:17 -3.73 -2.78 -531.573820 3 1 +3.1616 iter: 52 01:16:20 -3.44 -2.49 -531.408541 3 1 +3.0615 iter: 53 01:17:24 -4.03 -2.66 -531.352476 3 1 +2.9182 iter: 54 01:18:27 -3.91 -2.82 -531.392457 3 1 +2.6578 iter: 55 01:19:31 -3.29 -2.79 -531.387689 3 1 +3.0265 iter: 56 01:20:34 -3.57 -2.91 -531.455815 3 1 +3.2429 iter: 57 01:21:37 -3.79 -2.67 -531.468817 3 1 +3.2858 iter: 58 01:22:41 -3.66 -2.75 -531.386999 3 1 +3.1253 iter: 59 01:23:44 -3.36 -2.64 -531.397762 3 1 +2.6877 iter: 60 01:24:48 -3.53 -2.85 -531.430401 3 1 +2.2965 iter: 61 01:25:52 -3.46 -2.89 -531.362692 3 1 +2.4006 iter: 62 01:26:55 -3.55 -3.05 -531.361078 3 1 +2.6220 iter: 63 01:27:59 -3.97 -2.89 -531.371195 3 1 +2.8634 iter: 64 01:29:02 -4.05 -3.20 -531.423124 2 1 +3.0431 iter: 65 01:30:06 -3.87 -2.98 -531.378621 3 1 +3.0344 iter: 66 01:31:09 -4.46 -3.07 -531.384402 3 1 +3.0067 iter: 67 01:32:13 -4.15 -3.23 -531.507865 3 1 +3.1407 iter: 68 01:33:17 -4.18 -2.66 -531.510612 3 1 +3.2531 iter: 69 01:34:20 -4.00 -2.74 -531.418960 3 1 +3.1964 iter: 70 01:35:23 -3.59 -2.92 -531.385614 2 1 +2.8840 iter: 71 01:36:27 -3.80 -2.92 -531.375626 3 1 +2.5865 iter: 72 01:37:31 -3.67 -3.27 -531.384371 3 1 +2.5680 iter: 73 01:38:34 -3.94 -3.29 -531.386059 2 1 +2.4979 iter: 74 01:39:38 -4.11 -3.25 -531.386328 3 1 +2.4298 iter: 75 01:40:42 -4.19 -3.09 -531.427328 3 1 +2.1575 iter: 76 01:41:45 -3.88 -2.95 -531.374438 3 1 +2.2058 iter: 77 01:42:49 -4.34 -3.00 -531.373508 3 1 +2.2003 iter: 78 01:43:52 -4.14 -3.04 -531.345366 3 1 +2.3225 iter: 79 01:44:56 -3.66 -2.99 -531.407504 3 1 +2.8237 iter: 80 01:46:00 -3.56 -2.67 -531.507592 3 1 +3.2162 iter: 81 01:47:03 -3.45 -2.79 -531.519615 3 1 +3.3372 iter: 82 01:48:06 -3.67 -2.83 -531.554892 2 1 +3.4069 iter: 83 01:49:10 -3.67 -2.79 -531.420162 3 1 +3.3505 iter: 84 01:50:13 -3.80 -2.93 -531.451222 3 1 +3.1956 iter: 85 01:51:17 -3.47 -2.76 -531.333830 3 1 +2.6753 iter: 86 01:52:21 -3.42 -3.25 -531.396652 3 1 +2.5368 iter: 87 01:53:24 -3.43 -3.06 -531.387061 3 1 +2.5149 iter: 88 01:54:27 -3.90 -3.25 -531.383045 3 1 +2.4630 iter: 89 01:55:31 -4.21 -3.24 -531.388066 2 1 +2.4007 iter: 90 01:56:34 -3.74 -3.09 -531.568958 3 1 +1.8728 iter: 91 01:57:38 -3.40 -2.62 -531.444775 3 1 +1.9091 iter: 92 01:58:41 -3.22 -2.70 -531.323994 3 1 +2.0773 iter: 93 01:59:44 -3.58 -2.93 -531.322388 3 1 +2.4943 iter: 94 02:00:48 -3.67 -3.02 -531.388110 3 1 +2.9334 iter: 95 02:01:52 -3.27 -3.11 -531.373441 3 1 +2.6052 iter: 96 02:02:55 -3.76 -3.32 -531.387064 3 1 +2.4231 iter: 97 02:03:59 -3.91 -3.21 -531.369005 3 1 +2.5003 iter: 98 02:05:02 -4.55 -3.30 -531.370849 2 1 +2.5970 iter: 99 02:06:06 -4.83 -3.46 -531.373535 3 1 +2.6744 iter: 100 02:07:09 -4.59 -3.54 -531.377807 3 1 +2.6064 iter: 101 02:08:13 -4.85 -3.46 -531.377460 3 1 +2.6368 iter: 102 02:09:16 -4.76 -3.55 -531.377845 2 1 +2.7359 iter: 103 02:10:20 -4.56 -3.18 -531.394324 2 1 +2.8855 iter: 104 02:11:23 -4.13 -3.32 -531.386355 3 1 +2.7833 iter: 105 02:12:26 -4.33 -3.41 -531.381560 3 1 +2.6574 iter: 106 02:13:30 -3.89 -3.48 -531.421269 3 1 +2.3228 iter: 107 02:14:33 -3.59 -2.99 -531.367247 3 1 +2.3976 iter: 108 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21:57:11 -3.69 -2.82 -531.439729 3 1 +1.0556 iter: 1223 21:58:14 -3.45 -2.76 -531.440325 2 1 +1.0936 iter: 1224 21:59:18 -3.77 -3.11 -531.470659 3 1 +1.2853 iter: 1225 22:00:22 -3.74 -3.28 -531.518781 3 1 +1.5291 iter: 1226 22:01:26 -3.64 -2.91 -531.499656 2 1 +1.6081 iter: 1227 22:02:30 -4.16 -3.13 -531.539202 2 1 +1.7060 iter: 1228 22:03:33 -4.19 -3.02 -531.521774 2 1 +1.7167 iter: 1229 22:04:37 -3.91 -3.03 -531.466140 3 1 +1.6220 iter: 1230 22:05:40 -4.12 -3.22 -531.459714 2 1 +1.4764 iter: 1231 22:06:44 -3.85 -3.42 -531.525890 2 1 +1.3547 iter: 1232 22:07:48 -3.70 -2.79 -531.479744 3 1 +1.0368 iter: 1233 22:08:52 -3.71 -3.22 -531.469826 3 1 +1.0388 iter: 1234 22:09:56 -4.14 -3.26 -531.480301 3 1 +0.9163 iter: 1235 22:11:00 -3.90 -3.09 -531.459094 3 1 +0.9870 iter: 1236 22:12:03 -3.51 -3.35 -531.705942 3 1 +1.0636 iter: 1237 22:13:07 -3.22 -2.36 -531.654450 2 1 +1.5415 iter: 1238 22:14:11 -3.22 -2.67 -531.524774 3 1 +1.6845 iter: 1239 22:15:14 -3.15 -3.03 -531.475084 3 1 +1.6228 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