GENERAL INFO
| Title: | /Sand P02Mo18O62-0H-iso-0 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/116115 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | Mo18O62P2 |
| Calculation type: | Geometry optimization (Solvation) |
| Method(s): | DFT ( PBEc PBEx ) | PW92 == Not Default == |
| Core Treatment : | Frozen Orbital(s) |
| Symmetry : | C(S) |
| Temperature | 298.150000 K |
| Pressure | 1.000000 atm |
MOLECULAR INFO
| Charge: | -6 |
| Multiplicity: | 1 |
Solvation input
| Division Level for Surface Triangles (NDIV) | 3 | |
| Final Division Level for Triangles (NFDIV) | 1 | |
| Radius of the Solvent (RSOL) | 1.93000 | Å |
| Dielectric Constant (EPSL) | 78.39000 | |
| COSMO equation is solved iteratively- | conjugate-gradient | |
| Maximun of Iterations for Charges (NCIX) | 1000 | |
| Criterion for Charge convergence (CCNV) | 1.0E-08 | |
| Geometry-dependent empirical factor | 0.00000 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.60 |
| System | 0.04 |
| Elapsed | 1.19 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.76 |
| System | 0.02 |
| Elapsed | 0.82 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.45 |
| System | 0.03 |
| Elapsed | 0.51 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -537.0080 | eV |
| Kinetic Energy | 627.2360 | eV |
| Coulomb (Steric+OrbInt) Energy | -216.4336 | eV |
| XC Energy | -527.9465 | eV |
| Solvation | -36.2906 | eV |
| Total Bonding Energy | -690.4427 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000143041 |
| Orthogonalized Fragments: | 0.00088979149520 |
| SCF: | 0.00030148809816 |
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Multipole Derived Atomic Charges
Multipole Derived Atomic Charges (a.u.)
Multipole molecular moments
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| -0.62881752 | 4.37349247 | -0.00000000 | 4.41846669 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| 80.81316048 | -1.31994507 | 0.00000000 | -168.58163583 | -0.00000000 | 87.76847535 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 5.921274 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 49.668 | 43.182 | 357.023 | 449.873 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 194.868 | 196.646 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 345.520 | 351.482 | |
| G (kJ.mol-1 // kcal.mol-1) | -66353.5 // -15858.9 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| O | 0.087190 | 2.249609 | 5.223520 |
| O | 0.001748 | 3.799060 | 2.941940 |
| O | 1.633303 | 1.693252 | 2.915552 |
| O | 2.320864 | 3.891679 | 1.656089 |
| O | 4.382977 | 2.380818 | 2.757793 |
| O | 1.405119 | 6.285991 | 2.791286 |
| O | -0.778806 | 1.587325 | -1.283188 |
| O | -3.416473 | 1.409026 | 0.000000 |
| O | -2.803298 | 3.670247 | -1.282872 |
| O | -4.714122 | 2.072032 | -2.452571 |
| O | -2.090613 | 2.078828 | -3.469003 |
| O | 0.087190 | 2.249609 | -5.223520 |
| O | 1.633303 | 1.693252 | -2.915552 |
| O | 0.001748 | 3.799060 | -2.941940 |
| O | -0.778806 | 1.587325 | 1.283188 |
| O | 1.451935 | 1.641404 | 0.000000 |
| O | -0.090798 | 3.674042 | 0.000000 |
| O | -2.803298 | 3.670247 | 1.282872 |
| O | -2.090613 | 2.078828 | 3.469003 |
| O | -4.714122 | 2.072032 | 2.452571 |
| O | -3.438213 | 6.179713 | 0.000000 |
| O | -1.029752 | 5.741362 | 1.373743 |
| O | -1.029752 | 5.741362 | -1.373743 |
| O | 2.320864 | 3.891679 | -1.656089 |
| O | 4.382977 | 2.380818 | -2.757793 |
| O | 3.938258 | 2.386749 | 0.000000 |
| O | 1.284770 | 5.881655 | 0.000000 |
| O | 1.405119 | 6.285991 | -2.791286 |
| O | 0.365310 | -3.745909 | 2.884865 |
| O | 1.792518 | -1.519536 | 2.882420 |
| O | -1.891878 | -2.277887 | 3.462950 |
| O | -0.317899 | -0.005715 | 3.653898 |
| O | 0.295533 | -2.218257 | 5.188123 |
| O | 1.565490 | -1.617717 | 0.000000 |
| O | -0.669958 | -1.600815 | 1.280024 |
| O | 0.062571 | -3.675432 | 0.000000 |
| O | -0.669958 | -1.600815 | -1.280024 |
| O | 1.726546 | -6.228575 | 2.785072 |
| O | 2.651671 | -3.748682 | 1.633050 |
| O | 1.729208 | -5.667560 | 0.000000 |
| O | -0.642304 | -5.855348 | 1.339177 |
| O | 4.565422 | -2.125506 | 2.771095 |
| O | 4.140413 | -2.005137 | 0.000000 |
| O | 3.411734 | 0.115796 | 1.540664 |
| O | -3.303542 | -1.752017 | 0.000000 |
| O | -2.540641 | -3.884923 | 1.345041 |
| O | -4.528475 | -2.361277 | 2.496147 |
| O | -3.003607 | -0.100685 | 2.156272 |
| O | 1.726546 | -6.228575 | -2.785072 |
| O | 2.651671 | -3.748682 | -1.633050 |
| O | 0.365310 | -3.745909 | -2.884865 |
| O | -0.642304 | -5.855348 | -1.339177 |
| O | -2.540641 | -3.884923 | -1.345041 |
| O | -3.147850 | -6.286440 | 0.000000 |
| O | 1.792518 | -1.519536 | -2.882420 |
| O | 3.411734 | 0.115796 | -1.540664 |
| O | 4.565422 | -2.125506 | -2.771095 |
| O | -4.528475 | -2.361277 | -2.496147 |
| O | -3.003607 | -0.100685 | -2.156272 |
| O | -1.891878 | -2.277887 | -3.462950 |
| O | -0.317899 | -0.005715 | -3.653898 |
| O | 0.295533 | -2.218257 | -5.188123 |
| Mo | -3.109783 | 1.923114 | -1.829527 |
| Mo | -0.147518 | 1.988534 | -3.532002 |
| Mo | -3.109783 | 1.923114 | 1.829527 |
| Mo | -2.094058 | 5.094997 | 0.000000 |
| Mo | 3.121111 | 1.883243 | -1.682530 |
| Mo | 0.906350 | 5.029031 | -1.711944 |
| Mo | -0.147518 | 1.988534 | 3.532002 |
| Mo | 3.121111 | 1.883243 | 1.682530 |
| Mo | 0.906350 | 5.029031 | 1.711944 |
| Mo | -0.001441 | -1.839634 | 3.526583 |
| Mo | 1.000304 | -5.073582 | 1.719197 |
| Mo | 3.209533 | -2.018929 | 1.701219 |
| Mo | -2.970445 | -1.913127 | 1.893193 |
| Mo | 1.000304 | -5.073582 | -1.719197 |
| Mo | -1.983084 | -5.001190 | 0.000000 |
| Mo | 3.209533 | -2.018929 | -1.701219 |
| Mo | -2.970445 | -1.913127 | -1.893193 |
| Mo | -0.001441 | -1.839634 | -3.526583 |
| P | -0.047960 | 2.072743 | 0.000000 |
| P | 0.075945 | -2.077902 | 0.000000 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 82 |
| 3,-1 | 125 |
| 3,+1 | 62 |
| 3,+3 | 17 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | 0.087190 | 2.249609 | 5.223520 | 0.3194988E+03 |
| 2 | 0.001748 | 3.799060 | 2.941940 | 0.3190346E+03 |
| 3 | 1.633303 | 1.693252 | 2.915552 | 0.3190245E+03 |
| 4 | 2.320864 | 3.891679 | 1.656089 | 0.3191518E+03 |
| 5 | 4.382977 | 2.380818 | 2.757793 | 0.3194757E+03 |
| 6 | 1.405119 | 6.285991 | 2.791286 | 0.3194723E+03 |
| 7 | -0.778806 | 1.587325 | -1.283188 | 0.3187903E+03 |
| 8 | -3.416473 | 1.409026 | 0.000000 | 0.3190357E+03 |
| 9 | -2.803298 | 3.670247 | -1.282872 | 0.3190695E+03 |
| 10 | -4.714122 | 2.072032 | -2.452571 | 0.3194934E+03 |
| 11 | -2.090613 | 2.078828 | -3.469003 | 0.3191049E+03 |
| 12 | 0.087190 | 2.249609 | -5.223520 | 0.3194988E+03 |
| 13 | 1.633303 | 1.693252 | -2.915552 | 0.3190245E+03 |
| 14 | 0.001748 | 3.799060 | -2.941940 | 0.3190346E+03 |
| 15 | -0.778806 | 1.587325 | 1.283188 | 0.3187903E+03 |
| 16 | 1.451935 | 1.641404 | 0.000000 | 0.3187682E+03 |
| 17 | -0.090798 | 3.674042 | 0.000000 | 0.3187751E+03 |
| 18 | -2.803298 | 3.670247 | 1.282872 | 0.3190694E+03 |
| 19 | -2.090613 | 2.078828 | 3.469003 | 0.3191049E+03 |
| 20 | -4.714122 | 2.072032 | 2.452571 | 0.3194934E+03 |
| 21 | -3.438213 | 6.179713 | 0.000000 | 0.3194816E+03 |
| 22 | -1.029752 | 5.741362 | 1.373743 | 0.3191474E+03 |
| 23 | -1.029752 | 5.741362 | -1.373743 | 0.3191474E+03 |
| 24 | 2.320864 | 3.891679 | -1.656089 | 0.3191518E+03 |
| 25 | 4.382977 | 2.380818 | -2.757793 | 0.3194757E+03 |
| 26 | 3.938258 | 2.386749 | 0.000000 | 0.3190852E+03 |
| 27 | 1.284770 | 5.881655 | 0.000000 | 0.3190891E+03 |
| 28 | 1.405119 | 6.285991 | -2.791286 | 0.3194723E+03 |
| 29 | 0.365310 | -3.745909 | 2.884865 | 0.3190433E+03 |
| 30 | 1.792518 | -1.519536 | 2.882420 | 0.3190303E+03 |
| 31 | -1.891878 | -2.277887 | 3.462950 | 0.3190961E+03 |
| 32 | -0.317899 | -0.005715 | 3.653898 | 0.3190204E+03 |
| 33 | 0.295533 | -2.218257 | 5.188123 | 0.3194857E+03 |
| 34 | 1.565490 | -1.617717 | 0.000000 | 0.3187877E+03 |
| 35 | -0.669958 | -1.600815 | 1.280024 | 0.3187763E+03 |
| 36 | 0.062571 | -3.675432 | 0.000000 | 0.3187745E+03 |
| 37 | -0.669958 | -1.600815 | -1.280024 | 0.3187763E+03 |
| 38 | 1.726546 | -6.228575 | 2.785072 | 0.3194631E+03 |
| 39 | 2.651671 | -3.748682 | 1.633050 | 0.3191340E+03 |
| 40 | 1.729208 | -5.667560 | 0.000000 | 0.3190865E+03 |
| 41 | -0.642304 | -5.855348 | 1.339177 | 0.3191288E+03 |
| 42 | 4.565422 | -2.125506 | 2.771095 | 0.3194790E+03 |
| 43 | 4.140413 | -2.005137 | 0.000000 | 0.3190919E+03 |
| 44 | 3.411734 | 0.115796 | 1.540664 | 0.3191254E+03 |
| 45 | -3.303542 | -1.752017 | 0.000000 | 0.3190149E+03 |
| 46 | -2.540641 | -3.884923 | 1.345041 | 0.3190939E+03 |
| 47 | -4.528475 | -2.361277 | 2.496147 | 0.3194800E+03 |
| 48 | -3.003607 | -0.100685 | 2.156272 | 0.3190545E+03 |
| 49 | 1.726546 | -6.228575 | -2.785072 | 0.3194631E+03 |
| 50 | 2.651671 | -3.748682 | -1.633050 | 0.3191340E+03 |
| 51 | 0.365310 | -3.745909 | -2.884865 | 0.3190433E+03 |
| 52 | -0.642304 | -5.855348 | -1.339177 | 0.3191289E+03 |
| 53 | -2.540641 | -3.884923 | -1.345041 | 0.3190939E+03 |
| 54 | -3.147850 | -6.286440 | 0.000000 | 0.3194455E+03 |
| 55 | 1.792518 | -1.519536 | -2.882420 | 0.3190303E+03 |
| 56 | 3.411734 | 0.115796 | -1.540664 | 0.3191254E+03 |
| 57 | 4.565422 | -2.125506 | -2.771095 | 0.3194790E+03 |
| 58 | -4.528475 | -2.361277 | -2.496147 | 0.3194800E+03 |
| 59 | -3.003607 | -0.100685 | -2.156272 | 0.3190545E+03 |
| 60 | -1.891878 | -2.277887 | -3.462950 | 0.3190961E+03 |
| 61 | -0.317899 | -0.005715 | -3.653898 | 0.3190204E+03 |
| 62 | 0.295533 | -2.218257 | -5.188123 | 0.3194857E+03 |
| 63 | -3.109783 | 1.923114 | -1.829527 | 0.1240649E+06 |
| 64 | -0.147518 | 1.988534 | -3.532002 | 0.1240649E+06 |
| 65 | -3.109783 | 1.923114 | 1.829527 | 0.1240649E+06 |
| 66 | -2.094058 | 5.094997 | 0.000000 | 0.1240649E+06 |
| 67 | 3.121111 | 1.883243 | -1.682530 | 0.1240649E+06 |
| 68 | 0.906350 | 5.029031 | -1.711944 | 0.1240648E+06 |
| 69 | -0.147518 | 1.988534 | 3.532002 | 0.1240649E+06 |
| 70 | 3.121111 | 1.883243 | 1.682530 | 0.1240649E+06 |
| 71 | 0.906350 | 5.029031 | 1.711944 | 0.1240648E+06 |
| 72 | -0.001441 | -1.839634 | 3.526583 | 0.1240649E+06 |
| 73 | 1.000304 | -5.073582 | 1.719197 | 0.1240649E+06 |
| 74 | 3.209533 | -2.018929 | 1.701219 | 0.1240649E+06 |
| 75 | -2.970445 | -1.913127 | 1.893193 | 0.1240649E+06 |
| 76 | 1.000304 | -5.073582 | -1.719197 | 0.1240649E+06 |
| 77 | -1.983084 | -5.001190 | 0.000000 | 0.1240649E+06 |
| 78 | 3.209533 | -2.018929 | -1.701219 | 0.1240649E+06 |
| 79 | -2.970445 | -1.913127 | -1.893193 | 0.1240649E+06 |
| 80 | -0.001441 | -1.839634 | -3.526583 | 0.1240649E+06 |
| 81 | -0.047960 | 2.072743 | 0.000000 | 0.2439543E+04 |
| 82 | 0.075945 | -2.077902 | 0.000000 | 0.2439536E+04 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 83 | -3.348112 | -0.166554 | 0.000000 | 0.5727218E-02 | 0.2290337E-01 | 0.8808047E-03 | 0.5515944E+00 | 0.6990261E+00 | 0.4343619E-02 | -0.2961395E-02 | 0.1382224E-02 |
| 86 | -3.046644 | 0.860914 | 1.990841 | 0.9880541E-01 | 0.4216984E+00 | 0.5244114E+00 | 0.3450742E+01 | 0.1259874E-01 | 0.1309152E+00 | -0.1564059E+00 | -0.2549064E-01 |
| 87 | -3.046644 | 0.860914 | -1.990841 | 0.9880541E-01 | 0.4216984E+00 | 0.5244114E+00 | 0.3450742E+01 | 0.1259874E-01 | 0.1309152E+00 | -0.1564059E+00 | -0.2549064E-01 |
| 88 | -3.255713 | 1.658684 | -0.858911 | 0.1371374E+00 | 0.5671192E+00 | 0.1026599E+01 | 0.4431307E+01 | 0.8119698E-02 | 0.1992315E+00 | -0.2566832E+00 | -0.5745170E-01 |
| 89 | -3.255713 | 1.658684 | 0.858911 | 0.1371374E+00 | 0.5671192E+00 | 0.1026599E+01 | 0.4431307E+01 | 0.8119698E-02 | 0.1992315E+00 | -0.2566832E+00 | -0.5745170E-01 |
| 91 | -2.731315 | -2.938891 | -1.593147 | 0.9060270E-01 | 0.3786670E+00 | 0.4183204E+00 | 0.3326016E+01 | 0.4976377E-02 | 0.1155883E+00 | -0.1365099E+00 | -0.2092160E-01 |
| 92 | -2.731315 | -2.938891 | 1.593147 | 0.9060270E-01 | 0.3786670E+00 | 0.4183204E+00 | 0.3326016E+01 | 0.4976377E-02 | 0.1155883E+00 | -0.1365099E+00 | -0.2092160E-01 |
| 93 | -1.907695 | 1.767529 | -1.523038 | 0.4272712E-01 | 0.1700197E+00 | 0.7189170E-01 | 0.2116509E+01 | 0.3225476E-01 | 0.4333029E-01 | -0.4415565E-01 | -0.8253656E-03 |
| 95 | -1.907695 | 1.767529 | 1.523038 | 0.4272712E-01 | 0.1700197E+00 | 0.7189170E-01 | 0.2116509E+01 | 0.3225476E-01 | 0.4333029E-01 | -0.4415565E-01 | -0.8253656E-03 |
| 96 | -2.554028 | 1.997272 | -2.682934 | 0.1372441E+00 | 0.5331598E+00 | 0.9739158E+00 | 0.4719676E+01 | 0.4290882E-01 | 0.1937075E+00 | -0.2541251E+00 | -0.6041757E-01 |
| 97 | -0.704804 | -0.006086 | -1.253816 | 0.5542302E-02 | 0.2170714E-01 | 0.8729911E-03 | 0.5510118E+00 | 0.4849431E-01 | 0.4116227E-02 | -0.2805669E-02 | 0.1310558E-02 |
| 98 | -0.704804 | -0.006086 | 1.253816 | 0.5542302E-02 | 0.2170714E-01 | 0.8729911E-03 | 0.5510118E+00 | 0.4849431E-01 | 0.4116227E-02 | -0.2805669E-02 | 0.1310558E-02 |
| 99 | -2.554028 | 1.997272 | 2.682934 | 0.1372441E+00 | 0.5331598E+00 | 0.9739158E+00 | 0.4719676E+01 | 0.4290882E-01 | 0.1937075E+00 | -0.2541251E+00 | -0.6041757E-01 |
| 103 | -0.997034 | -2.067303 | -3.469857 | 0.1352865E+00 | 0.5267896E+00 | 0.9441505E+00 | 0.4663733E+01 | 0.5182411E-01 | 0.1901652E+00 | -0.2486330E+00 | -0.5846778E-01 |
| 107 | -0.997034 | -2.067303 | 3.469857 | 0.1352865E+00 | 0.5267896E+00 | 0.9441505E+00 | 0.4663733E+01 | 0.5182411E-01 | 0.1901652E+00 | -0.2486330E+00 | -0.5846778E-01 |
| 109 | -1.783805 | -1.773958 | -1.551030 | 0.4410605E-01 | 0.1766974E+00 | 0.7804902E-01 | 0.2147237E+01 | 0.2243998E-01 | 0.4525837E-01 | -0.4634239E-01 | -0.1084017E-02 |
| 110 | -1.783805 | -1.773958 | 1.551030 | 0.4410605E-01 | 0.1766974E+00 | 0.7804902E-01 | 0.2147237E+01 | 0.2243998E-01 | 0.4525837E-01 | -0.4634239E-01 | -0.1084017E-02 |
| 116 | -1.078077 | 4.339124 | 0.000000 | 0.3948434E-01 | 0.1588135E+00 | 0.5918224E-01 | 0.1986555E+01 | 0.2056345E-01 | 0.3961441E-01 | -0.3952544E-01 | 0.8896898E-04 |
| 120 | -1.645741 | -0.109904 | -2.880692 | 0.7166889E-02 | 0.2884565E-01 | 0.1400516E-02 | 0.6364300E+00 | 0.7458353E+00 | 0.5572535E-02 | -0.3933657E-02 | 0.1638878E-02 |
| 123 | -1.645741 | -0.109904 | 2.880692 | 0.7166889E-02 | 0.2884565E-01 | 0.1400516E-02 | 0.6364300E+00 | 0.7458353E+00 | 0.5572535E-02 | -0.3933657E-02 | 0.1638878E-02 |
| 127 | 0.070111 | -2.721315 | 0.000000 | 0.1857852E+00 | 0.5631776E+00 | 0.1636818E+01 | 0.7401499E+01 | 0.9160923E-03 | 0.2675445E+00 | -0.3942947E+00 | -0.1267501E+00 |
| 130 | 0.193033 | -2.832210 | 3.171687 | 0.1019437E+00 | 0.4279152E+00 | 0.5432050E+00 | 0.3582529E+01 | 0.1006425E-01 | 0.1351950E+00 | -0.1634111E+00 | -0.2821618E-01 |
| 133 | 0.156585 | -2.043836 | -4.414203 | 0.2319611E+00 | 0.8534402E+00 | 0.2893004E+01 | 0.7070746E+01 | 0.3874510E-02 | 0.3936758E+00 | -0.5739916E+00 | -0.1803158E+00 |
| 134 | 0.193033 | -2.832210 | -3.171687 | 0.1019437E+00 | 0.4279152E+00 | 0.5432050E+00 | 0.3582529E+01 | 0.1006425E-01 | 0.1351950E+00 | -0.1634111E+00 | -0.2821618E-01 |
| 135 | -0.226411 | -1.890297 | -0.520753 | 0.2024744E+00 | 0.7181319E+00 | 0.2288934E+01 | 0.6699245E+01 | 0.3407551E-01 | 0.3201446E+00 | -0.4607561E+00 | -0.1406116E+00 |
| 136 | -0.226411 | -1.890297 | 0.520753 | 0.2024744E+00 | 0.7181319E+00 | 0.2288934E+01 | 0.6699245E+01 | 0.3407551E-01 | 0.3201446E+00 | -0.4607561E+00 | -0.1406116E+00 |
| 137 | 0.156585 | -2.043836 | 4.414203 | 0.2319611E+00 | 0.8534402E+00 | 0.2893004E+01 | 0.7070746E+01 | 0.3874510E-02 | 0.3936758E+00 | -0.5739916E+00 | -0.1803158E+00 |
| 139 | -0.323011 | -1.735420 | -2.353003 | 0.4916375E-01 | 0.1985146E+00 | 0.1011889E+00 | 0.2290318E+01 | 0.1074056E-01 | 0.5202999E-01 | -0.5443133E-01 | -0.2401347E-02 |
| 140 | -0.323011 | -1.735420 | 2.353003 | 0.4916375E-01 | 0.1985146E+00 | 0.1011889E+00 | 0.2290318E+01 | 0.1074056E-01 | 0.5202999E-01 | -0.5443133E-01 | -0.2401347E-02 |
| 141 | -0.160415 | -0.866052 | -3.582081 | 0.1575210E+00 | 0.6785321E+00 | 0.1429507E+01 | 0.4665951E+01 | 0.1565947E-01 | 0.2450053E+00 | -0.3203775E+00 | -0.7537224E-01 |
| 142 | -0.058457 | 2.938272 | 3.202639 | 0.1423861E+00 | 0.5950453E+00 | 0.1119224E+01 | 0.4496165E+01 | 0.3078461E-01 | 0.2106501E+00 | -0.2725389E+00 | -0.6188880E-01 |
| 143 | -0.451821 | 1.799755 | 2.357511 | 0.4771193E-01 | 0.1921184E+00 | 0.9410809E-01 | 0.2251244E+01 | 0.1950565E-01 | 0.5004079E-01 | -0.5205198E-01 | -0.2011194E-02 |
| 144 | -0.058457 | 2.938272 | -3.202639 | 0.1423861E+00 | 0.5950453E+00 | 0.1119224E+01 | 0.4496165E+01 | 0.3078461E-01 | 0.2106501E+00 | -0.2725389E+00 | -0.6188880E-01 |
| 146 | -0.064032 | 2.717408 | 0.000000 | 0.1841643E+00 | 0.5476275E+00 | 0.1574408E+01 | 0.7501307E+01 | 0.8316924E-04 | 0.2624346E+00 | -0.3879624E+00 | -0.1255278E+00 |
| 160 | 1.478351 | 0.011531 | -0.000000 | 0.4873566E-02 | 0.1877254E-01 | 0.6442329E-03 | 0.5142429E+00 | 0.6641432E-01 | 0.3530991E-02 | -0.2368848E-02 | 0.1162143E-02 |
| 163 | 0.788336 | 1.836369 | 3.189832 | 0.1423674E+00 | 0.6058689E+00 | 0.1144385E+01 | 0.4414879E+01 | 0.1876780E-01 | 0.2124297E+00 | -0.2733922E+00 | -0.6096250E-01 |
| 171 | 1.721934 | 0.086115 | 2.876271 | 0.5129869E-02 | 0.2080087E-01 | 0.6877686E-03 | 0.5054856E+00 | 0.1153410E+01 | 0.3904918E-02 | -0.2609618E-02 | 0.1295300E-02 |
| 172 | 1.721934 | 0.086115 | -2.876271 | 0.5129869E-02 | 0.2080087E-01 | 0.6877686E-03 | 0.5054856E+00 | 0.1153410E+01 | 0.3904918E-02 | -0.2609618E-02 | 0.1295300E-02 |
| 173 | 2.236332 | 1.779018 | -0.828747 | 0.4609439E-01 | 0.1848111E+00 | 0.8654073E-01 | 0.2209523E+01 | 0.1375514E-01 | 0.4781621E-01 | -0.4942963E-01 | -0.1613424E-02 |
| 174 | 3.795277 | 2.151455 | -2.256639 | 0.2314058E+00 | 0.8448258E+00 | 0.2858598E+01 | 0.7114372E+01 | 0.8467458E-02 | 0.3912378E+00 | -0.5712692E+00 | -0.1800314E+00 |
| 175 | 3.530706 | 2.146448 | -0.785464 | 0.1369924E+00 | 0.5251896E+00 | 0.9585511E+00 | 0.4776660E+01 | 0.4791122E-01 | 0.1920588E+00 | -0.2528201E+00 | -0.6076137E-01 |
| 177 | 3.530706 | 2.146448 | 0.785464 | 0.1369924E+00 | 0.5251896E+00 | 0.9585511E+00 | 0.4776660E+01 | 0.4791122E-01 | 0.1920588E+00 | -0.2528201E+00 | -0.6076137E-01 |
| 178 | 2.236332 | 1.779018 | 0.828747 | 0.4609439E-01 | 0.1848111E+00 | 0.8654073E-01 | 0.2209523E+01 | 0.1375514E-01 | 0.4781621E-01 | -0.4942963E-01 | -0.1613424E-02 |
| 179 | 3.795277 | 2.151455 | 2.256639 | 0.2314058E+00 | 0.8448258E+00 | 0.2858598E+01 | 0.7114372E+01 | 0.8467458E-02 | 0.3912378E+00 | -0.5712692E+00 | -0.1800314E+00 |
| 181 | -3.128765 | -1.836040 | -0.890614 | 0.1349605E+00 | 0.5666088E+00 | 0.1007472E+01 | 0.4318582E+01 | 0.1577799E-01 | 0.1963909E+00 | -0.2511296E+00 | -0.5473871E-01 |
| 182 | -3.128765 | -1.836040 | 0.890614 | 0.1349605E+00 | 0.5666088E+00 | 0.1007472E+01 | 0.4318582E+01 | 0.1577799E-01 | 0.1963909E+00 | -0.2511296E+00 | -0.5473871E-01 |
| 184 | -2.936397 | 2.842536 | 1.526376 | 0.1624332E+00 | 0.6891832E+00 | 0.1508230E+01 | 0.4835076E+01 | 0.4016220E-01 | 0.2537078E+00 | -0.3351197E+00 | -0.8141195E-01 |
| 185 | -2.936397 | 2.842536 | -1.526376 | 0.1624332E+00 | 0.6891832E+00 | 0.1508230E+01 | 0.4835076E+01 | 0.4016220E-01 | 0.2537078E+00 | -0.3351197E+00 | -0.8141195E-01 |
| 186 | -2.457595 | 4.336238 | -0.664321 | 0.1017224E+00 | 0.4234990E+00 | 0.5398130E+00 | 0.3606796E+01 | 0.2070765E-01 | 0.1342279E+00 | -0.1625811E+00 | -0.2835319E-01 |
| 187 | -2.457595 | 4.336238 | 0.664321 | 0.1017224E+00 | 0.4234990E+00 | 0.5398130E+00 | 0.3606796E+01 | 0.2070765E-01 | 0.1342279E+00 | -0.1625811E+00 | -0.2835319E-01 |
| 188 | -2.812590 | 5.674560 | 0.000000 | 0.2334045E+00 | 0.8450796E+00 | 0.2894096E+01 | 0.7214908E+01 | 0.1233275E-02 | 0.3948954E+00 | -0.5785210E+00 | -0.1836255E+00 |
| 196 | -1.170236 | 2.030821 | -3.475767 | 0.1336776E+00 | 0.5265464E+00 | 0.9300913E+00 | 0.4573772E+01 | 0.4701351E-01 | 0.1881037E+00 | -0.2445708E+00 | -0.5646709E-01 |
| 199 | -1.170236 | 2.030821 | 3.475767 | 0.1336776E+00 | 0.5265464E+00 | 0.9300913E+00 | 0.4573772E+01 | 0.4701351E-01 | 0.1881037E+00 | -0.2445708E+00 | -0.5646709E-01 |
| 203 | -0.109757 | 5.383412 | -1.520386 | 0.9368031E-01 | 0.3699222E+00 | 0.4237579E+00 | 0.3599565E+01 | 0.9037100E-02 | 0.1171353E+00 | -0.1417901E+00 | -0.2465477E-01 |
| 206 | -0.109757 | 5.383412 | 1.520386 | 0.9368031E-01 | 0.3699222E+00 | 0.4237579E+00 | 0.3599565E+01 | 0.9037100E-02 | 0.1171353E+00 | -0.1417901E+00 | -0.2465477E-01 |
| 207 | 0.527764 | -4.329028 | -0.844353 | 0.4429908E-01 | 0.1793558E+00 | 0.7827002E-01 | 0.2130864E+01 | 0.2372315E-01 | 0.4581691E-01 | -0.4679487E-01 | -0.9779641E-03 |
| 209 | 0.527764 | -4.329028 | 0.844353 | 0.4429908E-01 | 0.1793558E+00 | 0.7827002E-01 | 0.2130864E+01 | 0.2372315E-01 | 0.4581691E-01 | -0.4679487E-01 | -0.9779641E-03 |
| 210 | 0.127231 | -5.473785 | -1.505668 | 0.1666517E+00 | 0.6431427E+00 | 0.1471824E+01 | 0.5407403E+01 | 0.6788430E-01 | 0.2520959E+00 | -0.3434062E+00 | -0.9131026E-01 |
| 212 | 0.429486 | 4.369890 | -2.347603 | 0.1258303E+00 | 0.5177092E+00 | 0.8485927E+00 | 0.4205677E+01 | 0.1271170E-01 | 0.1770065E+00 | -0.2245856E+00 | -0.4757914E-01 |
| 213 | 0.396914 | 4.309874 | -0.841549 | 0.4533598E-01 | 0.1801690E+00 | 0.8104519E-01 | 0.2204642E+01 | 0.1698856E-01 | 0.4657851E-01 | -0.4811476E-01 | -0.1536254E-02 |
| 214 | 0.396914 | 4.309874 | 0.841549 | 0.4533598E-01 | 0.1801690E+00 | 0.8104519E-01 | 0.2204642E+01 | 0.1698856E-01 | 0.4657851E-01 | -0.4811476E-01 | -0.1536254E-02 |
| 215 | 0.429486 | 4.369890 | 2.347603 | 0.1258303E+00 | 0.5177092E+00 | 0.8485927E+00 | 0.4205677E+01 | 0.1271170E-01 | 0.1770065E+00 | -0.2245856E+00 | -0.4757914E-01 |
| 217 | 1.854073 | -4.370782 | -1.668837 | 0.8432895E-01 | 0.3513098E+00 | 0.3567004E+00 | 0.3180905E+01 | 0.1200590E-01 | 0.1051134E+00 | -0.1223994E+00 | -0.1728599E-01 |
| 218 | 1.854073 | -4.370782 | 1.668837 | 0.8432895E-01 | 0.3513098E+00 | 0.3567004E+00 | 0.3180905E+01 | 0.1200590E-01 | 0.1051134E+00 | -0.1223994E+00 | -0.1728599E-01 |
| 219 | 2.895853 | -2.931741 | 1.665805 | 0.1799493E+00 | 0.7390932E+00 | 0.1826738E+01 | 0.5347665E+01 | 0.4576999E-01 | 0.2878665E+00 | -0.3909597E+00 | -0.1030932E+00 |
| 220 | 2.895853 | -2.931741 | -1.665805 | 0.1799493E+00 | 0.7390932E+00 | 0.1826738E+01 | 0.5347665E+01 | 0.4576999E-01 | 0.2878665E+00 | -0.3909597E+00 | -0.1030932E+00 |
| 222 | -1.265929 | -5.432248 | 0.694388 | 0.9639557E-01 | 0.3799631E+00 | 0.4507259E+00 | 0.3675363E+01 | 0.1459975E-01 | 0.1215148E+00 | -0.1480388E+00 | -0.2652401E-01 |
| 223 | -1.265929 | -5.432248 | -0.694388 | 0.9639557E-01 | 0.3799631E+00 | 0.4507259E+00 | 0.3675363E+01 | 0.1459975E-01 | 0.1215148E+00 | -0.1480388E+00 | -0.2652401E-01 |
| 224 | -2.604248 | -5.689347 | -0.000000 | 0.2292719E+00 | 0.8309886E+00 | 0.2782441E+01 | 0.7122013E+01 | 0.1343981E-02 | 0.3850945E+00 | -0.5624417E+00 | -0.1773473E+00 |
| 225 | -2.270665 | -4.396086 | -0.706746 | 0.1732288E+00 | 0.7064506E+00 | 0.1676256E+01 | 0.5250871E+01 | 0.2243549E-01 | 0.2723035E+00 | -0.3679943E+00 | -0.9569083E-01 |
| 226 | -2.270665 | -4.396086 | 0.706746 | 0.1732288E+00 | 0.7064506E+00 | 0.1676256E+01 | 0.5250871E+01 | 0.2243549E-01 | 0.2723035E+00 | -0.3679943E+00 | -0.9569083E-01 |
| 227 | -1.518410 | 5.421335 | -0.726378 | 0.1686069E+00 | 0.6492946E+00 | 0.1506757E+01 | 0.5461310E+01 | 0.6486700E-01 | 0.2559657E+00 | -0.3496078E+00 | -0.9364208E-01 |
| 228 | -1.518410 | 5.421335 | 0.726378 | 0.1686069E+00 | 0.6492946E+00 | 0.1506757E+01 | 0.5461310E+01 | 0.6486700E-01 | 0.2559657E+00 | -0.3496078E+00 | -0.9364208E-01 |
| 230 | 1.093388 | 5.461853 | -0.800062 | 0.1330142E+00 | 0.5146051E+00 | 0.9030152E+00 | 0.4641261E+01 | 0.4661644E-01 | 0.1852849E+00 | -0.2419184E+00 | -0.5663359E-01 |
| 231 | 1.093388 | 5.461853 | 0.800062 | 0.1330142E+00 | 0.5146051E+00 | 0.9030152E+00 | 0.4641261E+01 | 0.4661644E-01 | 0.1852849E+00 | -0.2419184E+00 | -0.5663359E-01 |
| 234 | 3.305872 | -0.903735 | 1.614904 | 0.7738602E-01 | 0.3289764E+00 | 0.3056974E+00 | 0.2943648E+01 | 0.1068607E-01 | 0.9517903E-01 | -0.1081139E+00 | -0.1293491E-01 |
| 235 | 3.374149 | 0.237736 | 0.000000 | 0.7107732E-02 | 0.2892093E-01 | 0.1348842E-02 | 0.6260648E+00 | 0.1217429E+01 | 0.5574588E-02 | -0.3918942E-02 | 0.1655645E-02 |
| 237 | 3.305872 | -0.903735 | -1.614904 | 0.7738602E-01 | 0.3289764E+00 | 0.3056974E+00 | 0.2943648E+01 | 0.1068607E-01 | 0.9517903E-01 | -0.1081139E+00 | -0.1293491E-01 |
| 238 | 3.934902 | -2.074448 | -2.272230 | 0.2316107E+00 | 0.8468678E+00 | 0.2866777E+01 | 0.7107693E+01 | 0.2549426E-02 | 0.3919478E+00 | -0.5721787E+00 | -0.1802309E+00 |
| 239 | 3.680907 | -2.003133 | -0.794221 | 0.1362191E+00 | 0.5288027E+00 | 0.9568325E+00 | 0.4699475E+01 | 0.4568435E-01 | 0.1916794E+00 | -0.2511582E+00 | -0.5947875E-01 |
| 240 | 3.680907 | -2.003133 | 0.794221 | 0.1362191E+00 | 0.5288027E+00 | 0.9568325E+00 | 0.4699475E+01 | 0.4568435E-01 | 0.1916794E+00 | -0.2511582E+00 | -0.5947875E-01 |
| 241 | 3.934902 | -2.074448 | 2.272230 | 0.2316107E+00 | 0.8468678E+00 | 0.2866777E+01 | 0.7107693E+01 | 0.2549426E-02 | 0.3919478E+00 | -0.5721787E+00 | -0.1802309E+00 |
| 242 | -2.382741 | -2.104571 | -2.706813 | 0.1363861E+00 | 0.5247646E+00 | 0.9530358E+00 | 0.4745320E+01 | 0.4496491E-01 | 0.1912181E+00 | -0.2512451E+00 | -0.6002695E-01 |
| 243 | -2.382741 | -2.104571 | 2.706813 | 0.1363861E+00 | 0.5247646E+00 | 0.9530358E+00 | 0.4745320E+01 | 0.4496491E-01 | 0.1912181E+00 | -0.2512451E+00 | -0.6002695E-01 |
| 245 | -0.940846 | -4.300015 | -0.000000 | 0.4152731E-01 | 0.1632302E+00 | 0.6539002E-01 | 0.2102337E+01 | 0.2236004E-01 | 0.4150356E-01 | -0.4219959E-01 | -0.6960236E-03 |
| 247 | -0.023133 | 2.127820 | 4.436190 | 0.2333064E+00 | 0.8578396E+00 | 0.2927599E+01 | 0.7102615E+01 | 0.1156697E-02 | 0.3968443E+00 | -0.5792287E+00 | -0.1823844E+00 |
| 248 | -0.451821 | 1.799755 | -2.357511 | 0.4771193E-01 | 0.1921184E+00 | 0.9410809E-01 | 0.2251244E+01 | 0.1950565E-01 | 0.5004079E-01 | -0.5205198E-01 | -0.2011194E-02 |
| 249 | 1.388972 | -5.690671 | -2.288019 | 0.2308298E+00 | 0.8435969E+00 | 0.2844975E+01 | 0.7095201E+01 | 0.6241660E-02 | 0.3899949E+00 | -0.5690906E+00 | -0.1790957E+00 |
| 250 | 1.388972 | -5.690671 | 2.288019 | 0.2308298E+00 | 0.8435969E+00 | 0.2844975E+01 | 0.7095201E+01 | 0.6241660E-02 | 0.3899949E+00 | -0.5690906E+00 | -0.1790957E+00 |
| 251 | 1.376318 | -5.366051 | -0.803570 | 0.1301670E+00 | 0.4998903E+00 | 0.8511607E+00 | 0.4608647E+01 | 0.4133495E-01 | 0.1793074E+00 | -0.2336423E+00 | -0.5433488E-01 |
| 252 | 1.376318 | -5.366051 | 0.803570 | 0.1301670E+00 | 0.4998903E+00 | 0.8511607E+00 | 0.4608647E+01 | 0.4133495E-01 | 0.1793074E+00 | -0.2336423E+00 | -0.5433488E-01 |
| 253 | -3.802573 | -2.154540 | -2.215755 | 0.2321431E+00 | 0.8450306E+00 | 0.2873344E+01 | 0.7150454E+01 | 0.4537617E-02 | 0.3926031E+00 | -0.5739486E+00 | -0.1813455E+00 |
| 254 | -3.802573 | -2.154540 | 2.215755 | 0.2321431E+00 | 0.8450306E+00 | 0.2873344E+01 | 0.7150454E+01 | 0.4537617E-02 | 0.3926031E+00 | -0.5739486E+00 | -0.1813455E+00 |
| 255 | -2.983287 | -0.949316 | 2.020245 | 0.1715655E+00 | 0.7364443E+00 | 0.1709052E+01 | 0.4956669E+01 | 0.2080255E-01 | 0.2748370E+00 | -0.3655629E+00 | -0.9072592E-01 |
| 256 | -2.983287 | -0.949316 | -2.020245 | 0.1715655E+00 | 0.7364443E+00 | 0.1709052E+01 | 0.4956669E+01 | 0.2080255E-01 | 0.2748370E+00 | -0.3655629E+00 | -0.9072592E-01 |
| 257 | -0.233560 | 0.939829 | 3.584488 | 0.1113181E+00 | 0.4742853E+00 | 0.6744114E+00 | 0.3742685E+01 | 0.5030212E-02 | 0.1530101E+00 | -0.1874488E+00 | -0.3443874E-01 |
| 258 | -0.233560 | 0.939829 | -3.584488 | 0.1113181E+00 | 0.4742853E+00 | 0.6744114E+00 | 0.3742685E+01 | 0.5030212E-02 | 0.1530101E+00 | -0.1874488E+00 | -0.3443874E-01 |
| 259 | 0.669334 | -4.355861 | -2.323153 | 0.1549003E+00 | 0.6378786E+00 | 0.1319509E+01 | 0.4826460E+01 | 0.2222811E-01 | 0.2345921E+00 | -0.3097145E+00 | -0.7512243E-01 |
| 260 | 0.669334 | -4.355861 | 2.323153 | 0.1549003E+00 | 0.6378786E+00 | 0.1319509E+01 | 0.4826460E+01 | 0.2222811E-01 | 0.2345921E+00 | -0.3097145E+00 | -0.7512243E-01 |
| 261 | -3.967139 | 2.001958 | -2.163409 | 0.2334600E+00 | 0.8493677E+00 | 0.2906497E+01 | 0.7181331E+01 | 0.1136951E-02 | 0.3957109E+00 | -0.5790799E+00 | -0.1833690E+00 |
| 262 | -3.967139 | 2.001958 | 2.163409 | 0.2334600E+00 | 0.8493677E+00 | 0.2906497E+01 | 0.7181331E+01 | 0.1136951E-02 | 0.3957109E+00 | -0.5790799E+00 | -0.1833690E+00 |
| 263 | 0.561260 | 1.903820 | -0.000000 | 0.2004391E+00 | 0.6994342E+00 | 0.2198803E+01 | 0.6763485E+01 | 0.3514946E-01 | 0.3136812E+00 | -0.4525039E+00 | -0.1388227E+00 |
| 264 | -0.023133 | 2.127820 | -4.436190 | 0.2333064E+00 | 0.8578396E+00 | 0.2927599E+01 | 0.7102615E+01 | 0.1156697E-02 | 0.3968443E+00 | -0.5792287E+00 | -0.1823844E+00 |
| 265 | 0.788336 | 1.836369 | -3.189832 | 0.1423674E+00 | 0.6058689E+00 | 0.1144385E+01 | 0.4414879E+01 | 0.1876780E-01 | 0.2124297E+00 | -0.2733922E+00 | -0.6096250E-01 |
| 266 | 1.171845 | 5.701808 | 2.288117 | 0.2316599E+00 | 0.8456632E+00 | 0.2863607E+01 | 0.7120336E+01 | 0.6708196E-02 | 0.3918358E+00 | -0.5722558E+00 | -0.1804200E+00 |
| 267 | 0.681148 | -1.897169 | 0.000000 | 0.2017648E+00 | 0.7030580E+00 | 0.2221377E+01 | 0.6802957E+01 | 0.3104356E-01 | 0.3164628E+00 | -0.4571610E+00 | -0.1406982E+00 |
| 268 | 0.941574 | -1.682221 | 3.169205 | 0.1337467E+00 | 0.5585644E+00 | 0.9840879E+00 | 0.4315308E+01 | 0.1485267E-01 | 0.1935265E+00 | -0.2474118E+00 | -0.5388536E-01 |
| 269 | 0.941574 | -1.682221 | -3.169205 | 0.1337467E+00 | 0.5585644E+00 | 0.9840879E+00 | 0.4315308E+01 | 0.1485267E-01 | 0.1935265E+00 | -0.2474118E+00 | -0.5388536E-01 |
| 270 | 2.688445 | 2.924981 | -1.661516 | 0.7597607E-01 | 0.3189762E+00 | 0.2855303E+00 | 0.2944306E+01 | 0.5601042E-02 | 0.9229452E-01 | -0.1048450E+00 | -0.1255046E-01 |
| 271 | 2.688445 | 2.924981 | 1.661516 | 0.7597607E-01 | 0.3189762E+00 | 0.2855303E+00 | 0.2944306E+01 | 0.5601042E-02 | 0.9229452E-01 | -0.1048450E+00 | -0.1255046E-01 |
| 272 | 0.127231 | -5.473785 | 1.505668 | 0.1666517E+00 | 0.6431427E+00 | 0.1471824E+01 | 0.5407403E+01 | 0.6788430E-01 | 0.2520959E+00 | -0.3434062E+00 | -0.9131026E-01 |
| 273 | 1.646954 | 4.410877 | -1.679970 | 0.1815744E+00 | 0.7449501E+00 | 0.1857897E+01 | 0.5385719E+01 | 0.3200450E-01 | 0.2913289E+00 | -0.3964202E+00 | -0.1050913E+00 |
| 274 | 1.646954 | 4.410877 | 1.679970 | 0.1815744E+00 | 0.7449501E+00 | 0.1857897E+01 | 0.5385719E+01 | 0.3200450E-01 | 0.2913289E+00 | -0.3964202E+00 | -0.1050913E+00 |
| 275 | 2.324844 | 1.791200 | -2.319831 | 0.1308862E+00 | 0.5440887E+00 | 0.9392239E+00 | 0.4273331E+01 | 0.1275423E-01 | 0.1875594E+00 | -0.2390967E+00 | -0.5153724E-01 |
| 276 | 2.324844 | 1.791200 | 2.319831 | 0.1308862E+00 | 0.5440887E+00 | 0.9392239E+00 | 0.4273331E+01 | 0.1275423E-01 | 0.1875594E+00 | -0.2390967E+00 | -0.5153724E-01 |
| 277 | 3.263141 | 0.940849 | -1.609635 | 0.1882936E+00 | 0.7926460E+00 | 0.2044867E+01 | 0.5377658E+01 | 0.2429210E-01 | 0.3097151E+00 | -0.4212688E+00 | -0.1115536E+00 |
| 278 | 3.263141 | 0.940849 | 1.609635 | 0.1882936E+00 | 0.7926460E+00 | 0.2044867E+01 | 0.5377658E+01 | 0.2429210E-01 | 0.3097151E+00 | -0.4212688E+00 | -0.1115536E+00 |
| 279 | 2.340020 | -1.827636 | -0.835755 | 0.4456762E-01 | 0.1777953E+00 | 0.7955712E-01 | 0.2171327E+01 | 0.2938751E-01 | 0.4571804E-01 | -0.4698726E-01 | -0.1269211E-02 |
| 280 | 2.340020 | -1.827636 | 0.835755 | 0.4456762E-01 | 0.1777953E+00 | 0.7955712E-01 | 0.2171327E+01 | 0.2938751E-01 | 0.4571804E-01 | -0.4698726E-01 | -0.1269211E-02 |
| 281 | -0.160415 | -0.866052 | 3.582081 | 0.1575210E+00 | 0.6785321E+00 | 0.1429507E+01 | 0.4665951E+01 | 0.1565947E-01 | 0.2450053E+00 | -0.3203775E+00 | -0.7537224E-01 |
| 282 | 2.450402 | -1.758370 | -2.313792 | 0.1421127E+00 | 0.5876698E+00 | 0.1114724E+01 | 0.4538035E+01 | 0.6253520E-02 | 0.2090644E+00 | -0.2712113E+00 | -0.6214692E-01 |
| 283 | 2.450402 | -1.758370 | 2.313792 | 0.1421127E+00 | 0.5876698E+00 | 0.1114724E+01 | 0.4538035E+01 | 0.6253520E-02 | 0.2090644E+00 | -0.2712113E+00 | -0.6214692E-01 |
| 284 | 1.171845 | 5.701808 | -2.288117 | 0.2316599E+00 | 0.8456632E+00 | 0.2863607E+01 | 0.7120336E+01 | 0.6708196E-02 | 0.3918358E+00 | -0.5722558E+00 | -0.1804200E+00 |
| 285 | -0.344375 | 1.881800 | 0.522169 | 0.2036550E+00 | 0.7250968E+00 | 0.2320701E+01 | 0.6699500E+01 | 0.3276860E-01 | 0.3232572E+00 | -0.4652402E+00 | -0.1419830E+00 |
| 286 | -0.344375 | 1.881800 | -0.522169 | 0.2036550E+00 | 0.7250968E+00 | 0.2320701E+01 | 0.6699500E+01 | 0.3276860E-01 | 0.3232572E+00 | -0.4652402E+00 | -0.1419830E+00 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 84 | -3.296266 | -0.159377 | -0.379460 | 0.5416767E-02 | 0.2382830E-01 | 0.5511123E-03 | 0.4831556E+00 | -0.1762786E+01 | 0.4451083E-02 | -0.2945090E-02 | 0.1505993E-02 |
| 85 | -3.296266 | -0.159377 | 0.379460 | 0.5416767E-02 | 0.2382830E-01 | 0.5511123E-03 | 0.4831556E+00 | -0.1762786E+01 | 0.4451083E-02 | -0.2945090E-02 | 0.1505993E-02 |
| 90 | -2.762014 | -3.144803 | -0.000000 | 0.1164553E-01 | 0.5644629E-01 | 0.2213753E-02 | 0.7304266E+00 | -0.1304966E+01 | 0.1112563E-01 | -0.8139680E-02 | 0.2985946E-02 |
| 94 | -1.847813 | 1.651958 | 0.000000 | 0.8673464E-02 | 0.3700682E-01 | 0.1073021E-02 | 0.6817927E+00 | -0.1425181E+01 | 0.7219095E-02 | -0.5186484E-02 | 0.2032611E-02 |
| 100 | -1.299354 | 3.917479 | 1.930203 | 0.5179345E-02 | 0.2133422E-01 | 0.4747360E-03 | 0.5007964E+00 | -0.2087297E+01 | 0.4000874E-02 | -0.2668193E-02 | 0.1332681E-02 |
| 101 | -1.136612 | -3.513708 | 2.170767 | 0.4918521E-02 | 0.2043957E-01 | 0.3956104E-03 | 0.4795850E+00 | -0.1682772E+01 | 0.3815033E-02 | -0.2520173E-02 | 0.1294860E-02 |
| 104 | -1.342184 | -1.924189 | -2.304700 | 0.2664277E-01 | 0.1092607E+00 | 0.1669904E-01 | 0.1498931E+01 | -0.5299343E+01 | 0.2503404E-01 | -0.2275291E-01 | 0.2281134E-02 |
| 105 | -1.727579 | -1.776642 | -0.000000 | 0.8788826E-02 | 0.3764185E-01 | 0.1134937E-02 | 0.6852153E+00 | -0.1450383E+01 | 0.7348340E-02 | -0.5286218E-02 | 0.2062122E-02 |
| 106 | -1.342184 | -1.924189 | 2.304700 | 0.2664277E-01 | 0.1092607E+00 | 0.1669904E-01 | 0.1498931E+01 | -0.5299343E+01 | 0.2503404E-01 | -0.2275291E-01 | 0.2281134E-02 |
| 111 | -1.423286 | 3.083380 | -0.777114 | 0.8680968E-02 | 0.3650538E-01 | 0.1061047E-02 | 0.6921547E+00 | -0.1442829E+01 | 0.7137037E-02 | -0.5147729E-02 | 0.1989308E-02 |
| 113 | -1.423286 | 3.083380 | 0.777114 | 0.8680968E-02 | 0.3650538E-01 | 0.1061047E-02 | 0.6921547E+00 | -0.1442829E+01 | 0.7137037E-02 | -0.5147729E-02 | 0.1989308E-02 |
| 114 | -1.299354 | 3.917479 | -1.930203 | 0.5179345E-02 | 0.2133422E-01 | 0.4747360E-03 | 0.5007964E+00 | -0.2087297E+01 | 0.4000874E-02 | -0.2668193E-02 | 0.1332681E-02 |
| 118 | -1.325115 | -0.023735 | 1.502768 | 0.4160072E-02 | 0.1739387E-01 | 0.2161667E-03 | 0.4263029E+00 | -0.1330574E+01 | 0.3207940E-02 | -0.2067411E-02 | 0.1140529E-02 |
| 119 | -1.635103 | -0.510470 | 2.893047 | 0.6789536E-02 | 0.2918018E-01 | 0.8313740E-03 | 0.5748997E+00 | -0.1789926E+01 | 0.5562350E-02 | -0.3829655E-02 | 0.1732695E-02 |
| 121 | -0.605853 | -0.000857 | -1.878094 | 0.4320210E-02 | 0.1813227E-01 | 0.2427699E-03 | 0.4355144E+00 | -0.1362581E+01 | 0.3351081E-02 | -0.2169095E-02 | 0.1181987E-02 |
| 122 | -0.605853 | -0.000857 | 1.878094 | 0.4320210E-02 | 0.1813227E-01 | 0.2427699E-03 | 0.4355144E+00 | -0.1362581E+01 | 0.3351081E-02 | -0.2169095E-02 | 0.1181987E-02 |
| 124 | -0.132412 | 3.107134 | -1.538957 | 0.9459127E-02 | 0.3999852E-01 | 0.1239977E-02 | 0.7288771E+00 | -0.1413998E+01 | 0.7881171E-02 | -0.5762711E-02 | 0.2118460E-02 |
| 125 | -0.132412 | 3.107134 | 1.538957 | 0.9459127E-02 | 0.3999852E-01 | 0.1239977E-02 | 0.7288771E+00 | -0.1413998E+01 | 0.7881171E-02 | -0.5762711E-02 | 0.2118460E-02 |
| 126 | 0.072843 | -3.058889 | -1.526213 | 0.9806797E-02 | 0.4192043E-01 | 0.1405468E-02 | 0.7385832E+00 | -0.1448054E+01 | 0.8276810E-02 | -0.6073513E-02 | 0.2203297E-02 |
| 128 | 0.072843 | -3.058889 | 1.526213 | 0.9806797E-02 | 0.4192043E-01 | 0.1405468E-02 | 0.7385832E+00 | -0.1448054E+01 | 0.8276810E-02 | -0.6073513E-02 | 0.2203297E-02 |
| 131 | 1.400894 | 0.071505 | 3.011093 | 0.4942530E-02 | 0.2181058E-01 | 0.4854080E-03 | 0.4531007E+00 | -0.1911556E+01 | 0.4046863E-02 | -0.2641081E-02 | 0.1405782E-02 |
| 132 | 0.970598 | -1.699979 | -1.550465 | 0.9032541E-02 | 0.3875803E-01 | 0.1180967E-02 | 0.6965218E+00 | -0.1429391E+01 | 0.7584497E-02 | -0.5479487E-02 | 0.2105010E-02 |
| 138 | 0.970598 | -1.699979 | 1.550465 | 0.9032541E-02 | 0.3875803E-01 | 0.1180967E-02 | 0.6965218E+00 | -0.1429391E+01 | 0.7584497E-02 | -0.5479487E-02 | 0.2105010E-02 |
| 148 | -1.635103 | -0.510470 | -2.893047 | 0.6789536E-02 | 0.2918018E-01 | 0.8313740E-03 | 0.5748997E+00 | -0.1789926E+01 | 0.5562350E-02 | -0.3829655E-02 | 0.1732695E-02 |
| 149 | 1.304744 | 3.104015 | -2.466287 | 0.1146146E-01 | 0.5645604E-01 | 0.2165670E-02 | 0.7111632E+00 | -0.1279613E+01 | 0.1108223E-01 | -0.8050458E-02 | 0.3031776E-02 |
| 152 | 1.445505 | -3.153879 | -0.764321 | 0.8366621E-02 | 0.3465111E-01 | 0.9381332E-03 | 0.6857191E+00 | -0.1421600E+01 | 0.6765223E-02 | -0.4867669E-02 | 0.1897554E-02 |
| 153 | 2.463836 | -3.925538 | 0.000000 | 0.5075631E-02 | 0.2079390E-01 | 0.4419272E-03 | 0.4967759E+00 | -0.1954769E+01 | 0.3896064E-02 | -0.2593651E-02 | 0.1302412E-02 |
| 154 | 1.445505 | -3.153879 | 0.764321 | 0.8366621E-02 | 0.3465111E-01 | 0.9381332E-03 | 0.6857191E+00 | -0.1421600E+01 | 0.6765223E-02 | -0.4867669E-02 | 0.1897554E-02 |
| 156 | 1.578825 | -2.983658 | -2.435549 | 0.1158551E-01 | 0.5627410E-01 | 0.2165936E-02 | 0.7263791E+00 | -0.1286447E+01 | 0.1108220E-01 | -0.8095870E-02 | 0.2986328E-02 |
| 158 | 1.578825 | -2.983658 | 2.435549 | 0.1158551E-01 | 0.5627410E-01 | 0.2165936E-02 | 0.7263791E+00 | -0.1286447E+01 | 0.1108220E-01 | -0.8095870E-02 | 0.2986328E-02 |
| 159 | 1.961429 | 0.094321 | -2.697181 | 0.5006214E-02 | 0.2146765E-01 | 0.4947017E-03 | 0.4702667E+00 | -0.2103712E+01 | 0.3998589E-02 | -0.2630265E-02 | 0.1368324E-02 |
| 161 | 1.961429 | 0.094321 | 2.697181 | 0.5006214E-02 | 0.2146765E-01 | 0.4947017E-03 | 0.4702667E+00 | -0.2103712E+01 | 0.3998589E-02 | -0.2630265E-02 | 0.1368324E-02 |
| 162 | 0.863068 | 1.764881 | 1.547368 | 0.9031513E-02 | 0.3870222E-01 | 0.1195227E-02 | 0.6973940E+00 | -0.1446233E+01 | 0.7574982E-02 | -0.5474409E-02 | 0.2100573E-02 |
| 164 | 0.863068 | 1.764881 | -1.547368 | 0.9031513E-02 | 0.3870222E-01 | 0.1195227E-02 | 0.6973940E+00 | -0.1446233E+01 | 0.7574982E-02 | -0.5474409E-02 | 0.2100573E-02 |
| 165 | 1.985225 | 0.023476 | -0.392755 | 0.3808219E-02 | 0.1564970E-01 | 0.1794635E-03 | 0.4089251E+00 | -0.1352401E+01 | 0.2874931E-02 | -0.1837438E-02 | 0.1037493E-02 |
| 166 | 1.985225 | 0.023476 | 0.392755 | 0.3808219E-02 | 0.1564970E-01 | 0.1794635E-03 | 0.4089251E+00 | -0.1352401E+01 | 0.2874931E-02 | -0.1837438E-02 | 0.1037493E-02 |
| 167 | 1.304744 | 3.104015 | 2.466287 | 0.1146146E-01 | 0.5645604E-01 | 0.2165670E-02 | 0.7111632E+00 | -0.1279613E+01 | 0.1108223E-01 | -0.8050458E-02 | 0.3031776E-02 |
| 168 | 1.299305 | 3.106403 | -0.753571 | 0.9116588E-02 | 0.3829249E-01 | 0.1171497E-02 | 0.7159567E+00 | -0.1447136E+01 | 0.7524405E-02 | -0.5475688E-02 | 0.2048717E-02 |
| 169 | 1.299305 | 3.106403 | 0.753571 | 0.9116588E-02 | 0.3829249E-01 | 0.1171497E-02 | 0.7159567E+00 | -0.1447136E+01 | 0.7524405E-02 | -0.5475688E-02 | 0.2048717E-02 |
| 176 | 3.363047 | 0.532643 | -0.000000 | 0.6963774E-02 | 0.2938208E-01 | 0.9510066E-03 | 0.5955777E+00 | -0.2307128E+01 | 0.5626152E-02 | -0.3906783E-02 | 0.1719369E-02 |
| 180 | 2.672515 | 1.980475 | -0.000000 | 0.2661969E-01 | 0.1090821E+00 | 0.1680075E-01 | 0.1499217E+01 | -0.6166495E+01 | 0.2499443E-01 | -0.2271833E-01 | 0.2276102E-02 |
| 183 | -2.972399 | 2.893518 | -0.000000 | 0.1196047E-01 | 0.5900827E-01 | 0.2367914E-02 | 0.7304894E+00 | -0.1279474E+01 | 0.1163075E-01 | -0.8509432E-02 | 0.3121318E-02 |
| 189 | -0.486575 | -4.725090 | 0.571016 | 0.2404029E-01 | 0.9136073E-01 | 0.1065179E-01 | 0.1510381E+01 | -0.2902897E+01 | 0.2097635E-01 | -0.1911252E-01 | 0.1863833E-02 |
| 190 | -1.703924 | 0.420880 | -2.942049 | 0.6306808E-02 | 0.2731905E-01 | 0.6278027E-03 | 0.5430380E+00 | -0.1499078E+01 | 0.5171312E-02 | -0.3512861E-02 | 0.1658451E-02 |
| 191 | -1.325115 | -0.023735 | -1.502768 | 0.4160072E-02 | 0.1739387E-01 | 0.2161667E-03 | 0.4263029E+00 | -0.1330574E+01 | 0.3207940E-02 | -0.2067411E-02 | 0.1140529E-02 |
| 192 | -1.703924 | 0.420880 | 2.942049 | 0.6306808E-02 | 0.2731905E-01 | 0.6278027E-03 | 0.5430380E+00 | -0.1499078E+01 | 0.5171312E-02 | -0.3512861E-02 | 0.1658451E-02 |
| 193 | -1.136612 | -3.513708 | -2.170767 | 0.4918521E-02 | 0.2043957E-01 | 0.3956104E-03 | 0.4795850E+00 | -0.1682772E+01 | 0.3815033E-02 | -0.2520173E-02 | 0.1294860E-02 |
| 194 | -1.263898 | -3.091975 | -0.840884 | 0.8863444E-02 | 0.3710242E-01 | 0.1080689E-02 | 0.7050421E+00 | -0.1427641E+01 | 0.7273686E-02 | -0.5271766E-02 | 0.2001920E-02 |
| 195 | -1.263898 | -3.091975 | 0.840884 | 0.8863444E-02 | 0.3710242E-01 | 0.1080689E-02 | 0.7050421E+00 | -0.1427641E+01 | 0.7273686E-02 | -0.5271766E-02 | 0.2001920E-02 |
| 197 | -1.486216 | 1.859864 | -2.301329 | 0.2611108E-01 | 0.1075737E+00 | 0.1625443E-01 | 0.1472137E+01 | -0.5602511E+01 | 0.2452743E-01 | -0.2216142E-01 | 0.2366009E-02 |
| 198 | -1.486216 | 1.859864 | 2.301329 | 0.2611108E-01 | 0.1075737E+00 | 0.1625443E-01 | 0.1472137E+01 | -0.5602511E+01 | 0.2452743E-01 | -0.2216142E-01 | 0.2366009E-02 |
| 201 | -0.426718 | 4.692924 | -0.748670 | 0.2417129E-01 | 0.9357698E-01 | 0.1185313E-01 | 0.1488026E+01 | -0.3871519E+01 | 0.2139804E-01 | -0.1940183E-01 | 0.1996208E-02 |
| 202 | -0.426718 | 4.692924 | 0.748670 | 0.2417129E-01 | 0.9357698E-01 | 0.1185313E-01 | 0.1488026E+01 | -0.3871519E+01 | 0.2139804E-01 | -0.1940183E-01 | 0.1996208E-02 |
| 204 | -0.218400 | 5.538883 | -0.000000 | 0.1191083E-01 | 0.5333429E-01 | 0.1678696E-02 | 0.8026196E+00 | -0.1147079E+01 | 0.1067268E-01 | -0.8011787E-02 | 0.2660893E-02 |
| 208 | 0.107324 | -5.537619 | -0.000000 | 0.1187755E-01 | 0.5323666E-01 | 0.1645183E-02 | 0.8003513E+00 | -0.1135398E+01 | 0.1064811E-01 | -0.7987058E-02 | 0.2661054E-02 |
| 211 | 1.400894 | 0.071505 | -3.011093 | 0.4942530E-02 | 0.2181058E-01 | 0.4854080E-03 | 0.4531007E+00 | -0.1911556E+01 | 0.4046863E-02 | -0.2641081E-02 | 0.1405782E-02 |
| 216 | 0.619402 | 4.733180 | -0.000000 | 0.2670045E-01 | 0.1067540E+00 | 0.1654119E-01 | 0.1539667E+01 | -0.8113378E+01 | 0.2464089E-01 | -0.2259329E-01 | 0.2047598E-02 |
| 221 | 2.812680 | -1.860008 | 0.000000 | 0.2584910E-01 | 0.1063898E+00 | 0.1593624E-01 | 0.1463712E+01 | -0.6063935E+01 | 0.2422013E-01 | -0.2184282E-01 | 0.2377313E-02 |
| 229 | -0.486575 | -4.725090 | -0.571016 | 0.2404029E-01 | 0.9136073E-01 | 0.1065179E-01 | 0.1510381E+01 | -0.2902897E+01 | 0.2097635E-01 | -0.1911252E-01 | 0.1863833E-02 |
| 232 | 0.870162 | -4.660467 | 0.000000 | 0.2660484E-01 | 0.1078226E+00 | 0.1692593E-01 | 0.1515320E+01 | -0.9336671E+01 | 0.2477817E-01 | -0.2260070E-01 | 0.2177478E-02 |
| 233 | 2.407481 | 3.574854 | 0.000000 | 0.4633847E-02 | 0.1904350E-01 | 0.3255662E-03 | 0.4660536E+00 | -0.1524758E+01 | 0.3543720E-02 | -0.2326566E-02 | 0.1217154E-02 |
| 236 | 3.499292 | -0.359078 | -0.000000 | 0.6039211E-02 | 0.2572121E-01 | 0.5417376E-03 | 0.5365648E+00 | -0.1469994E+01 | 0.4861913E-02 | -0.3293525E-02 | 0.1568388E-02 |
CP type: (3,+3) Cage
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 102 | -1.740485 | -2.757048 | 0.000000 | 0.4912879E-02 | 0.2028532E-01 | 0.1479432E-03 | 0.4823083E+00 | -0.2409490E+00 | 0.3788544E-02 | -0.2505758E-02 | 0.1282786E-02 |
| 108 | -1.154023 | -0.014770 | -1.979205 | 0.3693588E-02 | 0.1581939E-01 | 0.9155884E-04 | 0.3844480E+00 | -0.2266807E+00 | 0.2889970E-02 | -0.1825093E-02 | 0.1064877E-02 |
| 112 | -1.890907 | 2.667434 | 0.000000 | 0.4937979E-02 | 0.2045221E-01 | 0.1561344E-03 | 0.4824529E+00 | -0.4035166E+00 | 0.3819837E-02 | -0.2526620E-02 | 0.1293217E-02 |
| 115 | -1.087947 | 3.507431 | -1.601222 | 0.4636460E-02 | 0.1947202E-01 | 0.1872337E-03 | 0.4562257E+00 | -0.4304811E+00 | 0.3615488E-02 | -0.2362971E-02 | 0.1252517E-02 |
| 117 | -1.087947 | 3.507431 | 1.601222 | 0.4636460E-02 | 0.1947202E-01 | 0.1872337E-03 | 0.4562257E+00 | -0.4304811E+00 | 0.3615488E-02 | -0.2362971E-02 | 0.1252517E-02 |
| 129 | 0.086850 | -5.360336 | 0.000000 | 0.1180859E-01 | 0.5203492E-01 | 0.1200057E-02 | 0.8109267E+00 | -0.7919193E+00 | 0.1043067E-01 | -0.7852619E-02 | 0.2578055E-02 |
| 145 | 0.851145 | 2.744154 | -1.571424 | 0.5072409E-02 | 0.2106813E-01 | 0.1580680E-03 | 0.4897913E+00 | -0.1673159E+00 | 0.3941312E-02 | -0.2615592E-02 | 0.1325719E-02 |
| 147 | 0.851145 | 2.744154 | 1.571424 | 0.5072409E-02 | 0.2106813E-01 | 0.1580680E-03 | 0.4897913E+00 | -0.1673159E+00 | 0.3941312E-02 | -0.2615592E-02 | 0.1325719E-02 |
| 150 | 1.933423 | 3.495054 | -0.000000 | 0.4481082E-02 | 0.1846391E-01 | 0.1979189E-03 | 0.4545631E+00 | -0.6862913E+00 | 0.3427027E-02 | -0.2238077E-02 | 0.1188950E-02 |
| 151 | 1.051490 | -2.704483 | -1.545123 | 0.5115790E-02 | 0.2112312E-01 | 0.1673414E-03 | 0.4954994E+00 | -0.3765755E+00 | 0.3956623E-02 | -0.2632467E-02 | 0.1324156E-02 |
| 155 | 1.051490 | -2.704483 | 1.545123 | 0.5115790E-02 | 0.2112312E-01 | 0.1673414E-03 | 0.4954994E+00 | -0.3765755E+00 | 0.3956623E-02 | -0.2632467E-02 | 0.1324156E-02 |
| 157 | 1.967652 | -3.566191 | -0.000000 | 0.4332143E-02 | 0.1828721E-01 | 0.1456092E-03 | 0.4338141E+00 | -0.3371505E+00 | 0.3378421E-02 | -0.2185039E-02 | 0.1193382E-02 |
| 170 | 2.309795 | 0.027433 | 0.000000 | 0.3384771E-02 | 0.1422259E-01 | 0.7671762E-04 | 0.3697004E+00 | -0.1584011E+00 | 0.2589519E-02 | -0.1623391E-02 | 0.9661284E-03 |
| 200 | -1.154023 | -0.014770 | 1.979205 | 0.3693588E-02 | 0.1581939E-01 | 0.9155884E-04 | 0.3844480E+00 | -0.2266807E+00 | 0.2889970E-02 | -0.1825093E-02 | 0.1064877E-02 |
| 205 | -0.203339 | 5.352387 | -0.000000 | 0.1183040E-01 | 0.5205216E-01 | 0.1199377E-02 | 0.8131549E+00 | -0.7692349E+00 | 0.1043896E-01 | -0.7864886E-02 | 0.2574077E-02 |
| 244 | -0.892895 | -3.456219 | -1.702458 | 0.4646994E-02 | 0.1933559E-01 | 0.2036640E-03 | 0.4611857E+00 | -0.4881109E+00 | 0.3594153E-02 | -0.2354408E-02 | 0.1239745E-02 |
| 246 | -0.892895 | -3.456219 | 1.702458 | 0.4646994E-02 | 0.1933559E-01 | 0.2036640E-03 | 0.4611857E+00 | -0.4881109E+00 | 0.3594153E-02 | -0.2354408E-02 | 0.1239745E-02 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 247 | 1 | 31 | 1.727565 | 1.727574 | 22 |
| 2 | 142 | 2 | 31 | 1.910093 | 1.910713 | 26 |
| 3 | 215 | 2 | 33 | 1.960619 | 1.961091 | 25 |
| 4 | 163 | 3 | 31 | 1.907492 | 1.908016 | 30 |
| 5 | 276 | 3 | 32 | 1.941652 | 1.942286 | 25 |
| 6 | 171 | 3 | 42 | 3.216901 | 3.217502 | 35 |
| 7 | 271 | 4 | 32 | 2.162154 | 2.162691 | 25 |
| 8 | 274 | 4 | 33 | 1.815913 | 1.816352 | 24 |
| 9 | 179 | 5 | 32 | 1.730917 | 1.730941 | 23 |
| 10 | 266 | 6 | 33 | 1.730231 | 1.730246 | 22 |
| 11 | 93 | 7 | 8 | 2.417580 | 2.418898 | 27 |
| 12 | 88 | 7 | 9 | 1.924971 | 1.925509 | 28 |
| 13 | 185 | 7 | 10 | 1.856135 | 1.856624 | 24 |
| 14 | 261 | 7 | 11 | 1.727502 | 1.727513 | 21 |
| 15 | 96 | 7 | 12 | 1.936707 | 1.937438 | 25 |
| 16 | 87 | 7 | 78 | 2.052754 | 2.053019 | 26 |
| 17 | 248 | 8 | 13 | 2.369949 | 2.371410 | 27 |
| 18 | 286 | 8 | 14 | 1.554457 | 1.554601 | 21 |
| 19 | 97 | 8 | 49 | 3.189999 | 3.191365 | 35 |
| 20 | 89 | 9 | 15 | 1.924971 | 1.925507 | 27 |
| 21 | 83 | 9 | 60 | 3.163060 | 3.163205 | 33 |
| 22 | 186 | 10 | 16 | 2.044186 | 2.044750 | 24 |
| 23 | 196 | 12 | 13 | 1.946211 | 1.946980 | 24 |
| 24 | 264 | 13 | 17 | 1.727565 | 1.727574 | 21 |
| 25 | 265 | 13 | 18 | 1.907492 | 1.908011 | 23 |
| 26 | 144 | 13 | 19 | 1.910093 | 1.910718 | 29 |
| 27 | 258 | 13 | 81 | 2.005223 | 2.005490 | 23 |
| 28 | 285 | 14 | 20 | 1.554457 | 1.554602 | 21 |
| 29 | 263 | 14 | 21 | 1.560685 | 1.560837 | 21 |
| 30 | 146 | 14 | 22 | 1.601872 | 1.601876 | 23 |
| 31 | 95 | 15 | 20 | 2.417580 | 2.418898 | 27 |
| 32 | 184 | 15 | 23 | 1.856135 | 1.856623 | 24 |
| 33 | 99 | 15 | 24 | 1.936707 | 1.937438 | 27 |
| 34 | 262 | 15 | 25 | 1.727502 | 1.727514 | 21 |
| 35 | 86 | 15 | 63 | 2.052754 | 2.053019 | 27 |
| 36 | 116 | 16 | 22 | 2.456047 | 2.457411 | 29 |
| 37 | 187 | 16 | 23 | 2.044186 | 2.044749 | 24 |
| 38 | 188 | 16 | 26 | 1.727241 | 1.727268 | 22 |
| 39 | 228 | 16 | 27 | 1.854105 | 1.854662 | 26 |
| 40 | 227 | 16 | 28 | 1.854105 | 1.854660 | 24 |
| 41 | 275 | 18 | 29 | 1.941652 | 1.942288 | 24 |
| 42 | 172 | 18 | 74 | 3.216901 | 3.217502 | 35 |
| 43 | 212 | 19 | 30 | 1.960619 | 1.961090 | 25 |
| 44 | 143 | 20 | 31 | 2.369949 | 2.371414 | 32 |
| 45 | 98 | 20 | 47 | 3.189999 | 3.191365 | 35 |
| 46 | 173 | 21 | 29 | 2.382340 | 2.384152 | 30 |
| 47 | 178 | 21 | 32 | 2.382340 | 2.384144 | 27 |
| 48 | 160 | 21 | 46 | 3.261099 | 3.262282 | 35 |
| 49 | 213 | 22 | 30 | 2.400219 | 2.401447 | 27 |
| 50 | 214 | 22 | 33 | 2.400219 | 2.401448 | 27 |
| 51 | 199 | 24 | 31 | 1.946211 | 1.946976 | 25 |
| 52 | 206 | 27 | 33 | 2.090523 | 2.091326 | 25 |
| 53 | 203 | 28 | 30 | 2.090523 | 2.091328 | 25 |
| 54 | 270 | 29 | 34 | 2.162154 | 2.162692 | 25 |
| 55 | 174 | 29 | 35 | 1.730917 | 1.730943 | 25 |
| 56 | 175 | 29 | 36 | 1.937048 | 1.937825 | 28 |
| 57 | 277 | 29 | 75 | 1.796790 | 1.797056 | 24 |
| 58 | 273 | 30 | 34 | 1.815913 | 1.816352 | 24 |
| 59 | 230 | 30 | 37 | 1.949595 | 1.950319 | 29 |
| 60 | 284 | 30 | 38 | 1.730231 | 1.730247 | 21 |
| 61 | 257 | 31 | 44 | 2.005223 | 2.005488 | 23 |
| 62 | 177 | 32 | 36 | 1.937048 | 1.937821 | 24 |
| 63 | 278 | 32 | 59 | 1.796790 | 1.797057 | 24 |
| 64 | 231 | 33 | 37 | 1.949595 | 1.950317 | 28 |
| 65 | 130 | 39 | 41 | 2.044553 | 2.045089 | 24 |
| 66 | 268 | 39 | 42 | 1.932795 | 1.933491 | 25 |
| 67 | 107 | 39 | 43 | 1.941615 | 1.942384 | 28 |
| 68 | 281 | 39 | 44 | 1.865372 | 1.865681 | 22 |
| 69 | 137 | 39 | 45 | 1.729816 | 1.729835 | 24 |
| 70 | 140 | 39 | 47 | 2.356051 | 2.357648 | 27 |
| 71 | 267 | 40 | 46 | 1.559011 | 1.559150 | 23 |
| 72 | 136 | 40 | 47 | 1.556420 | 1.556567 | 23 |
| 73 | 127 | 40 | 48 | 1.597587 | 1.597590 | 23 |
| 74 | 135 | 40 | 49 | 1.556420 | 1.556566 | 21 |
| 75 | 260 | 41 | 50 | 1.877421 | 1.878036 | 23 |
| 76 | 283 | 42 | 51 | 1.911167 | 1.911616 | 23 |
| 77 | 243 | 43 | 52 | 1.939199 | 1.939969 | 26 |
| 78 | 123 | 44 | 63 | 3.076513 | 3.080337 | 33 |
| 79 | 280 | 46 | 51 | 2.399582 | 2.401030 | 27 |
| 80 | 279 | 46 | 66 | 2.399582 | 2.401029 | 27 |
| 81 | 110 | 47 | 52 | 2.401199 | 2.403011 | 29 |
| 82 | 209 | 48 | 50 | 2.406201 | 2.407466 | 27 |
| 83 | 207 | 48 | 64 | 2.406201 | 2.407467 | 27 |
| 84 | 245 | 48 | 65 | 2.437691 | 2.438619 | 27 |
| 85 | 109 | 49 | 67 | 2.401199 | 2.403015 | 29 |
| 86 | 139 | 49 | 80 | 2.356051 | 2.357649 | 27 |
| 87 | 250 | 50 | 53 | 1.731336 | 1.731360 | 23 |
| 88 | 218 | 50 | 54 | 2.118913 | 2.119421 | 25 |
| 89 | 252 | 50 | 55 | 1.959528 | 1.960356 | 23 |
| 90 | 272 | 50 | 56 | 1.858423 | 1.858883 | 23 |
| 91 | 219 | 51 | 54 | 1.818764 | 1.819238 | 24 |
| 92 | 241 | 51 | 57 | 1.730441 | 1.730458 | 21 |
| 93 | 240 | 51 | 58 | 1.939298 | 1.940064 | 23 |
| 94 | 234 | 51 | 59 | 2.150283 | 2.150500 | 27 |
| 95 | 182 | 52 | 60 | 1.929013 | 1.929609 | 24 |
| 96 | 92 | 52 | 61 | 2.091216 | 2.091839 | 27 |
| 97 | 254 | 52 | 62 | 1.729696 | 1.729715 | 21 |
| 98 | 255 | 52 | 63 | 1.831736 | 1.831998 | 23 |
| 99 | 251 | 55 | 64 | 1.959528 | 1.960357 | 23 |
| 100 | 222 | 56 | 65 | 2.078622 | 2.079394 | 25 |
| 101 | 239 | 58 | 66 | 1.939298 | 1.940065 | 23 |
| 102 | 235 | 59 | 75 | 3.081329 | 3.095896 | 33 |
| 103 | 181 | 60 | 67 | 1.929013 | 1.929610 | 25 |
| 104 | 226 | 61 | 65 | 1.834682 | 1.835125 | 23 |
| 105 | 249 | 64 | 68 | 1.731336 | 1.731365 | 23 |
| 106 | 217 | 64 | 69 | 2.118913 | 2.119422 | 25 |
| 107 | 259 | 64 | 70 | 1.877421 | 1.878037 | 23 |
| 108 | 210 | 64 | 71 | 1.858423 | 1.858884 | 23 |
| 109 | 223 | 65 | 71 | 2.078622 | 2.079396 | 25 |
| 110 | 225 | 65 | 72 | 1.834682 | 1.835127 | 23 |
| 111 | 224 | 65 | 73 | 1.734516 | 1.734529 | 21 |
| 112 | 220 | 66 | 69 | 1.818764 | 1.819238 | 24 |
| 113 | 282 | 66 | 74 | 1.911167 | 1.911617 | 23 |
| 114 | 237 | 66 | 75 | 2.150283 | 2.150502 | 27 |
| 115 | 238 | 66 | 76 | 1.730441 | 1.730459 | 21 |
| 116 | 91 | 67 | 72 | 2.091216 | 2.091842 | 27 |
| 117 | 253 | 67 | 77 | 1.729696 | 1.729714 | 21 |
| 118 | 256 | 67 | 78 | 1.831736 | 1.831997 | 22 |
| 119 | 242 | 67 | 79 | 1.939199 | 1.939959 | 23 |
| 120 | 134 | 70 | 80 | 2.044553 | 2.045089 | 24 |
| 121 | 269 | 74 | 80 | 1.932795 | 1.933494 | 25 |
| 122 | 120 | 78 | 81 | 3.076513 | 3.080337 | 33 |
| 123 | 103 | 79 | 80 | 1.941615 | 1.942388 | 28 |
| 124 | 141 | 80 | 81 | 1.865372 | 1.865687 | 24 |
| 125 | 133 | 80 | 82 | 1.729816 | 1.729835 | 22 |
Timing
| Factor | |
|---|---|
| Cpu | 123128.32 |
| System | 626.88 |
| Elapsed | 125396.71 |
Report data
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