ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:36:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.02 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:36:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.02 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:36:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 03:36:57 Nodes: 1 Procs: 1 May03-2024 03:36:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:36:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 03:36:57 Nodes: 1 Procs: 1 May03-2024 03:36:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 03:36:58 Nodes: 1 Procs: 1 May03-2024 03:36:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:36:59 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 03:36:57 Nodes: 1 Procs: 1 May03-2024 03:36:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 03:36:58 Nodes: 1 Procs: 1 May03-2024 03:36:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May03-2024 03:36:59 Nodes: 1 Procs: 1 May03-2024 03:37:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May03-2024 03:37:02 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 May03-2024 03:37:00 1 1 Tungsten TZP 4d t21.P ADF 2019 May03-2024 03:36:57 1 1 Phosphorus TZP 1s t21.Mo ADF 2019 May03-2024 03:36:56 1 1 Molybdenum TZP 3d t21.O ADF 2019 May03-2024 03:36:58 1 1 Oxygen TZP 1s t21.H ADF 2019 May03-2024 03:36:55 1 1 Hydrogen TZP 1 1 -15.99096554 0.30201448 0.00100000 F 0.10434879 0.00066667 F 0.30201448 0.10434879 0.22553551 0.01000000 F 0.06075091 0.00666667 F Cartesian 2325.590361000001 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244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.686 -6.619 -6.574 -6.513 -6.505 -6.474 -6.432 -6.402 -6.197 -6.182 -3.623 -3.433 -3.243 -3.201 -2.918 -2.917 -2.867 -2.829 -2.781 -2.736 A A A A A A A A A A A A A A A A A A A A 0.00000000072594 0.00043961097584 0.00028550960713 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 74 74 74 74 74 74 74 15 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 0.076866 -2.524238 2.554480 0.075570 2.487389 -2.504165 -0.109733 2.539360 2.550943 2.546827 2.556351 -0.060024 -2.596822 -2.514849 -0.085761 -2.552750 0.130904 2.585151 2.606242 0.093873 -2.543194 -0.084840 -0.044580 -0.012216 2.418744 -2.629995 -0.022324 -2.594934 2.504926 0.058949 -2.491727 -0.291118 -2.695391 2.576840 -0.143726 2.532444 0.826650 -0.953476 0.874955 -1.022725 -0.907887 -0.888085 0.845886 0.856961 -0.897862 -0.921341 0.891361 0.932936 -3.033931 -1.130116 1.203438 3.045574 -1.159924 -1.150283 -3.046216 1.200627 -1.098212 3.047260 1.204793 1.186052 1.337453 -1.218232 -3.137808 1.154834 1.162896 2.976356 -1.172601 1.137265 -2.990247 -1.182931 -1.142705 3.069478 -1.142105 3.051958 -1.143794 -1.216884 -2.993469 1.234131 1.171264 3.055496 1.167291 1.167042 -3.092648 -1.213626 3.347856 -1.482729 1.512198 -3.442054 -1.548577 -1.500567 3.393100 1.498804 -1.448297 -3.406655 1.529744 1.586547 1.461618 -1.480039 3.419329 1.519091 1.456069 -3.368057 -1.491466 1.502280 3.452421 -1.743531 -1.492056 -3.705511 -1.571435 -3.611112 -1.295049 -1.476976 3.373841 1.533872 1.474569 -3.389063 1.529414 1.507806 3.349170 -1.498586 -0.206157 -3.728119 3.773370 3.876349 -0.106894 -3.708842 -0.195021 3.682412 -3.733514 0.215117 3.735794 3.768525 3.683986 -3.798413 -0.225682 3.746312 3.778531 0.213472 -3.772083 3.750672 -0.195909 -3.860631 -3.649766 0.265736 -3.828828 0.265272 -3.659948 -3.755594 -0.177234 3.797624 3.756231 0.166247 3.756522 1.067332 -1.918629 -2.477688 -0.599550 -3.388502 -1.314492 1 3 -3 0.076866 -2.524238 2.554480 Rho 0.4361414E+07 3,-3 2 3 -3 0.075570 2.487389 -2.504165 Rho 0.4361414E+07 3,-3 3 3 -3 -0.109733 2.539360 2.550943 Rho 0.4361414E+07 3,-3 4 3 -3 2.546827 2.556351 -0.060024 Rho 0.4361414E+07 3,-3 5 3 -3 -2.596822 -2.514849 -0.085761 Rho 0.4361414E+07 3,-3 6 3 -3 -2.552750 0.130904 2.585151 Rho 0.4361414E+07 3,-3 7 3 -3 2.606242 0.093873 -2.543194 Rho 0.4361415E+07 3,-3 8 3 -3 -0.084840 -0.044580 -0.012216 Rho 0.2439528E+04 3,-3 9 3 -3 2.418744 -2.629995 -0.022324 Rho 0.1240649E+06 3,-3 10 3 -3 -2.594934 2.504926 0.058949 Rho 0.1240649E+06 3,-3 11 3 -3 -2.491727 -0.291118 -2.695391 Rho 0.1240648E+06 3,-3 12 3 -3 2.576840 -0.143726 2.532444 Rho 0.1240650E+06 3,-3 13 3 -3 0.826650 -0.953476 0.874955 Rho 0.3187887E+03 3,-3 14 3 -3 -1.022725 -0.907887 -0.888085 Rho 0.3187861E+03 3,-3 15 3 -3 0.845886 0.856961 -0.897862 Rho 0.3187781E+03 3,-3 16 3 -3 -0.921341 0.891361 0.932936 Rho 0.3187758E+03 3,-3 17 3 -3 -3.033931 -1.130116 1.203438 Rho 0.3188700E+03 3,-3 18 3 -3 3.045574 -1.159924 -1.150283 Rho 0.3189168E+03 3,-3 19 3 -3 -3.046216 1.200627 -1.098212 Rho 0.3191954E+03 3,-3 20 3 -3 3.047260 1.204793 1.186052 Rho 0.3189280E+03 3,-3 21 3 -3 1.337453 -1.218232 -3.137808 Rho 0.3187268E+03 3,-3 22 3 -3 1.154834 1.162896 2.976356 Rho 0.3189407E+03 3,-3 23 3 -3 -1.172601 1.137265 -2.990247 Rho 0.3189001E+03 3,-3 24 3 -3 -1.182931 -1.142705 3.069478 Rho 0.3188734E+03 3,-3 25 3 -3 -1.142105 3.051958 -1.143794 Rho 0.3189262E+03 3,-3 26 3 -3 -1.216884 -2.993469 1.234131 Rho 0.3188739E+03 3,-3 27 3 -3 1.171264 3.055496 1.167291 Rho 0.3188718E+03 3,-3 28 3 -3 1.167042 -3.092648 -1.213626 Rho 0.3192757E+03 3,-3 29 3 -3 3.347856 -1.482729 1.512198 Rho 0.3191496E+03 3,-3 30 3 -3 -3.442054 -1.548577 -1.500567 Rho 0.3189830E+03 3,-3 31 3 -3 3.393100 1.498804 -1.448297 Rho 0.3189478E+03 3,-3 32 3 -3 -3.406655 1.529744 1.586547 Rho 0.3190031E+03 3,-3 33 3 -3 1.461618 -1.480039 3.419329 Rho 0.3190069E+03 3,-3 34 3 -3 1.519091 1.456069 -3.368057 Rho 0.3189489E+03 3,-3 35 3 -3 -1.491466 1.502280 3.452421 Rho 0.3189474E+03 3,-3 36 3 -3 -1.743531 -1.492056 -3.705511 Rho 0.3194596E+03 3,-3 37 3 -3 -1.571435 -3.611112 -1.295049 Rho 0.3187294E+03 3,-3 38 3 -3 -1.476976 3.373841 1.533872 Rho 0.3190223E+03 3,-3 39 3 -3 1.474569 -3.389063 1.529414 Rho 0.3190003E+03 3,-3 40 3 -3 1.507806 3.349170 -1.498586 Rho 0.3189491E+03 3,-3 41 3 -3 -0.206157 -3.728119 3.773370 Rho 0.3193339E+03 3,-3 42 3 -3 3.876349 -0.106894 -3.708842 Rho 0.3193259E+03 3,-3 43 3 -3 -0.195021 3.682412 -3.733514 Rho 0.3193371E+03 3,-3 44 3 -3 0.215117 3.735794 3.768525 Rho 0.3193220E+03 3,-3 45 3 -3 3.683986 -3.798413 -0.225682 Rho 0.3194379E+03 3,-3 46 3 -3 3.746312 3.778531 0.213472 Rho 0.3193371E+03 3,-3 47 3 -3 -3.772083 3.750672 -0.195909 Rho 0.3194403E+03 3,-3 48 3 -3 -3.860631 -3.649766 0.265736 Rho 0.3193400E+03 3,-3 49 3 -3 -3.828828 0.265272 -3.659948 Rho 0.3194182E+03 3,-3 50 3 -3 -3.755594 -0.177234 3.797624 Rho 0.3193349E+03 3,-3 51 3 -3 3.756231 0.166247 3.756522 Rho 0.3194598E+03 3,-3 52 3 -3 1.067332 -1.918629 -2.477688 Rho 0.4368204E+00 3,-3 53 3 -3 -0.599550 -3.388502 -1.314492 Rho 0.4396515E+00 3,-3 54 3 +1 -0.587876 1.680757 -0.505383 Rho 0.8492132E-02 |GRAD(Rho)| 0.1161863E-12 GRAD(Rho)x -0.3660241E-13 GRAD(Rho)y -0.1004578E-12 GRAD(Rho)z 0.4547264E-13 Laplacian 0.3498021E-01 (-1/4)Del**2(Rho)) -0.8745053E-02 Diamond 0.9582842E-03 Metallicity 0.6963357E+00 Ellipticity -0.1423911E+01 Gb(Abramov) 0.6844951E-02 Vb(Abramov) -0.4944848E-02 Hb(Abramov) 0.1900102E-02 Ex_ueg -0.1279600E-02 Ec_ueg -0.3001564E-03 Delta_ex -0.1610411E-02 Delta_ec 0.5234261E-03 Delta_et -0.3540554E-02 Pxc 0.4263109E+01 Qxc -0.3076673E+01 3,+1 55 3 -1 -3.280261 -3.128671 0.103461 Rho 0.2455268E+00 |GRAD(Rho)| 0.1419240E-14 GRAD(Rho)x -0.7128629E-15 GRAD(Rho)y 0.4500523E-15 GRAD(Rho)z -0.1141719E-14 Laplacian 0.9065669E+00 (-1/4)Del**2(Rho)) -0.2266417E+00 Diamond 0.3280814E+01 Metallicity 0.7317759E+01 Ellipticity 0.2606263E-02 Gb(Abramov) 0.4275127E+00 Vb(Abramov) -0.6283837E+00 Hb(Abramov) -0.2008710E+00 Ex_ueg -0.1135491E+00 Ec_ueg -0.1482200E-01 Delta_ex -0.1101107E+00 Delta_ec 0.1975730E-01 Delta_et -0.2732565E+00 Pxc 0.7660846E+01 Qxc -0.5573168E+01 3,-1 56 3 +1 -2.925104 -0.191150 -0.199840 Rho 0.4995474E-02 |GRAD(Rho)| 0.1028417E-13 GRAD(Rho)x 0.7171716E-14 GRAD(Rho)y 0.7344931E-14 GRAD(Rho)z 0.6184879E-15 Laplacian 0.2059327E-01 (-1/4)Del**2(Rho)) -0.5148317E-02 Diamond 0.4001840E-03 Metallicity 0.4884826E+00 Ellipticity -0.1674585E+01 Gb(Abramov) 0.3851355E-02 Vb(Abramov) -0.2554393E-02 Hb(Abramov) 0.1296962E-02 Ex_ueg -0.6306968E-03 Ec_ueg -0.1467180E-03 Delta_ex -0.9498173E-03 Delta_ec 0.5165593E-03 Delta_et -0.2857923E-02 Pxc 0.4298700E+01 Qxc -0.1838738E+01 3,+1 57 3 -1 -3.027702 -1.990435 -0.842963 Rho 0.1548576E+00 |GRAD(Rho)| 0.9850760E-14 GRAD(Rho)x 0.8331836E-14 GRAD(Rho)y 0.5230462E-14 GRAD(Rho)z -0.5101442E-15 Laplacian 0.6115783E+00 (-1/4)Del**2(Rho)) -0.1528946E+00 Diamond 0.1294474E+01 Metallicity 0.5031708E+01 Ellipticity 0.5857184E-01 Gb(Abramov) 0.2301498E+00 Vb(Abramov) -0.3074051E+00 Hb(Abramov) -0.7725527E-01 Ex_ueg -0.6141792E-01 Ec_ueg -0.8755193E-02 Delta_ex -0.6625984E-01 Delta_ec 0.1550927E-01 Delta_et -0.2076360E+00 Pxc 0.7015028E+01 Qxc -0.4272274E+01 3,-1 58 3 +1 -2.141186 1.335155 1.077241 Rho 0.2400243E-01 |GRAD(Rho)| 0.1921026E-16 GRAD(Rho)x 0.6572287E-17 GRAD(Rho)y -0.1726255E-16 GRAD(Rho)z 0.5276697E-17 Laplacian 0.9340010E-01 (-1/4)Del**2(Rho)) -0.2335003E-01 Diamond 0.1127964E-01 Metallicity 0.1473526E+01 Ellipticity -0.3142035E+01 Gb(Abramov) 0.2130116E-01 Vb(Abramov) -0.1925230E-01 Hb(Abramov) 0.2048865E-02 Ex_ueg -0.5113582E-02 Ec_ueg -0.1038620E-02 Delta_ex -0.5715240E-02 Delta_ec 0.1529607E-02 Delta_et -0.1338227E-01 Pxc 0.4923438E+01 Qxc -0.3736412E+01 3,+1 59 3 +1 -1.775556 1.742758 -1.727980 Rho 0.1133956E-01 |GRAD(Rho)| 0.1123993E-16 GRAD(Rho)x 0.8132759E-17 GRAD(Rho)y -0.1807176E-17 GRAD(Rho)z -0.7545084E-17 Laplacian 0.5512571E-01 (-1/4)Del**2(Rho)) -0.1378143E-01 Diamond 0.2091797E-02 Metallicity 0.7154613E+00 Ellipticity -0.1296039E+01 Gb(Abramov) 0.1083096E-01 Vb(Abramov) -0.7880501E-02 Hb(Abramov) 0.2950463E-02 Ex_ueg -0.1881540E-02 Ec_ueg -0.4291674E-03 Delta_ex -0.2684505E-02 Delta_ec 0.7421430E-03 Delta_et -0.5467067E-02 Pxc 0.4384164E+01 Qxc -0.3617234E+01 3,+1 60 3 -1 -2.819966 1.805433 -0.556821 Rho 0.1897525E+00 |GRAD(Rho)| 0.1170522E-15 GRAD(Rho)x -0.5339696E-17 GRAD(Rho)y 0.7535205E-17 GRAD(Rho)z 0.1166873E-15 Laplacian 0.7656945E+00 (-1/4)Del**2(Rho)) -0.1914236E+00 Diamond 0.2008583E+01 Metallicity 0.5639020E+01 Ellipticity 0.3052375E-01 Gb(Abramov) 0.3075227E+00 Vb(Abramov) -0.4236218E+00 Hb(Abramov) -0.1160991E+00 Ex_ueg -0.8053201E-01 Ec_ueg -0.1103520E-01 Delta_ex -0.8683882E-01 Delta_ec 0.1764397E-01 Delta_et -0.2393962E+00 Pxc 0.7297740E+01 Qxc -0.4921727E+01 3,-1 61 3 +1 -1.747569 0.542609 -0.504690 Rho 0.8946031E-02 |GRAD(Rho)| 0.3046155E-17 GRAD(Rho)x 0.2492321E-17 GRAD(Rho)y -0.1580108E-17 GRAD(Rho)z -0.7554186E-18 Laplacian 0.3730147E-01 (-1/4)Del**2(Rho)) -0.9325368E-02 Diamond 0.1166325E-02 Metallicity 0.7122042E+00 Ellipticity -0.1504974E+01 Gb(Abramov) 0.7323840E-02 Vb(Abramov) -0.5322311E-02 Hb(Abramov) 0.2001528E-02 Ex_ueg -0.1371594E-02 Ec_ueg -0.3204890E-03 Delta_ex -0.1769490E-02 Delta_ec 0.6110926E-03 Delta_et -0.4150157E-02 Pxc 0.4279692E+01 Qxc -0.2895617E+01 3,+1 62 3 +1 -2.013141 2.015414 2.046444 Rho 0.1249199E-01 |GRAD(Rho)| 0.1683443E-14 GRAD(Rho)x 0.9911850E-15 GRAD(Rho)y -0.1064064E-14 GRAD(Rho)z -0.8481146E-15 Laplacian 0.5839071E-01 (-1/4)Del**2(Rho)) -0.1459768E-01 Diamond 0.2064103E-02 Metallicity 0.7936984E+00 Ellipticity -0.1179692E+01 Gb(Abramov) 0.1166281E-01 Vb(Abramov) -0.8727943E-02 Hb(Abramov) 0.2934867E-02 Ex_ueg -0.2140724E-02 Ec_ueg -0.4823284E-03 Delta_ex -0.2788981E-02 Delta_ec 0.5582834E-03 Delta_et -0.4377505E-02 Pxc 0.4438311E+01 Qxc -0.4995636E+01 3,+1 63 3 -1 -3.001226 1.982027 0.864935 Rho 0.1210806E+00 |GRAD(Rho)| 0.1014031E-15 GRAD(Rho)x 0.4977843E-16 GRAD(Rho)y -0.6855546E-16 GRAD(Rho)z 0.5572122E-16 Laplacian 0.4700693E+00 (-1/4)Del**2(Rho)) -0.1175173E+00 Diamond 0.7356074E+00 Metallicity 0.4344192E+01 Ellipticity 0.2953302E-01 Gb(Abramov) 0.1634312E+00 Vb(Abramov) -0.2093451E+00 Hb(Abramov) -0.4591387E-01 Ex_ueg -0.4424029E-01 Ec_ueg -0.6618867E-02 Delta_ex -0.4791696E-01 Delta_ec 0.1253888E-01 Delta_et -0.1613816E+00 Pxc 0.6683967E+01 Qxc -0.3821471E+01 3,-1 64 3 +3 -1.153224 -1.100912 1.164269 Rho 0.5234703E-02 |GRAD(Rho)| 0.4658488E-17 GRAD(Rho)x 0.4538111E-18 GRAD(Rho)y 0.3135557E-17 GRAD(Rho)z -0.3415237E-17 Laplacian 0.2169901E-01 (-1/4)Del**2(Rho)) -0.5424752E-02 Diamond 0.1688168E-03 Metallicity 0.5011795E+00 Ellipticity -0.1365309E+00 Gb(Abramov) 0.4069631E-02 Vb(Abramov) -0.2714509E-02 Hb(Abramov) 0.1355122E-02 Ex_ueg -0.6712863E-03 Ec_ueg -0.1570270E-03 Delta_ex -0.7658191E-03 Delta_ec 0.1072091E-03 Delta_et -0.8219756E-03 Pxc 0.4274975E+01 Qxc -0.7143231E+01 3,+3 65 3 +3 -2.415812 0.027055 0.031696 Rho 0.4631385E-02 |GRAD(Rho)| 0.2620749E-14 GRAD(Rho)x 0.1970207E-14 GRAD(Rho)y 0.1147776E-14 GRAD(Rho)z 0.1291983E-14 Laplacian 0.1933383E-01 (-1/4)Del**2(Rho)) -0.4833458E-02 Diamond 0.1927250E-03 Metallicity 0.4586485E+00 Ellipticity -0.4454225E+00 Gb(Abramov) 0.3591781E-02 Vb(Abramov) -0.2350105E-02 Hb(Abramov) 0.1241676E-02 Ex_ueg -0.5701637E-03 Ec_ueg -0.1310844E-03 Delta_ex -0.7271211E-03 Delta_ec 0.2157999E-03 Delta_et -0.1305427E-02 Pxc 0.4349591E+01 Qxc -0.3369422E+01 3,+3 66 3 -1 -0.214537 -1.325841 -3.378112 Rho 0.5636591E-02 |GRAD(Rho)| 0.5093873E-16 GRAD(Rho)x -0.9461927E-17 GRAD(Rho)y -0.4963200E-16 GRAD(Rho)z -0.6472285E-17 Laplacian 0.2240833E-01 (-1/4)Del**2(Rho)) -0.5602083E-02 Diamond 0.9259400E-03 Metallicity 0.5489901E+00 Ellipticity 0.5348604E-01 Gb(Abramov) 0.4247303E-02 Vb(Abramov) -0.2892524E-02 Hb(Abramov) 0.1354780E-02 Ex_ueg -0.7408673E-03 Ec_ueg -0.1744099E-03 Delta_ex -0.1387340E-02 Delta_ec 0.1146477E-02 Delta_et -0.6278662E-02 Pxc 0.4247850E+01 Qxc -0.1210089E+01 3,-1 67 3 +3 -0.094646 -2.423261 -0.101031 Rho 0.3899017E-02 |GRAD(Rho)| 0.3444465E-15 GRAD(Rho)x 0.3167971E-15 GRAD(Rho)y 0.1346579E-15 GRAD(Rho)z 0.1225826E-16 Laplacian 0.1602828E-01 (-1/4)Del**2(Rho)) -0.4007071E-02 Diamond 0.1179939E-03 Metallicity 0.4152580E+00 Ellipticity -0.2152131E+00 Gb(Abramov) 0.2948708E-02 Vb(Abramov) -0.1890346E-02 Hb(Abramov) 0.1058362E-02 Ex_ueg -0.4532368E-03 Ec_ueg -0.9984509E-04 Delta_ex -0.5666901E-03 Delta_ec 0.1591045E-03 Delta_et -0.9442552E-03 Pxc 0.4539400E+01 Qxc -0.3561748E+01 3,+3 68 3 +1 0.022279 -2.960955 0.059214 Rho 0.4410527E-02 |GRAD(Rho)| 0.2028397E-14 GRAD(Rho)x 0.2006940E-14 GRAD(Rho)y 0.2663478E-15 GRAD(Rho)z -0.1250898E-15 Laplacian 0.1802828E-01 (-1/4)Del**2(Rho)) -0.4507069E-02 Diamond 0.3413396E-03 Metallicity 0.4533947E+00 Ellipticity -0.2135987E+01 Gb(Abramov) 0.3345293E-02 Vb(Abramov) -0.2183517E-02 Hb(Abramov) 0.1161776E-02 Ex_ueg -0.5342022E-03 Ec_ueg -0.1216342E-03 Delta_ex -0.8599005E-03 Delta_ec 0.5405269E-03 Delta_et -0.2837962E-02 Pxc 0.4391874E+01 Qxc -0.1590856E+01 3,+1 69 3 -1 -1.859448 -2.752231 0.614085 Rho 0.1304447E+00 |GRAD(Rho)| 0.8727345E-14 GRAD(Rho)x -0.6662788E-14 GRAD(Rho)y 0.1220232E-14 GRAD(Rho)z -0.5503166E-14 Laplacian 0.5438768E+00 (-1/4)Del**2(Rho)) -0.1359692E+00 Diamond 0.9389520E+00 Metallicity 0.4250987E+01 Ellipticity 0.2068618E-01 Gb(Abramov) 0.1869800E+00 Vb(Abramov) -0.2379908E+00 Hb(Abramov) -0.5101082E-01 Ex_ueg -0.4886000E-01 Ec_ueg -0.7203706E-02 Delta_ex -0.5653848E-01 Delta_ec 0.1442812E-01 Delta_et -0.1883494E+00 Pxc 0.6782620E+01 Qxc -0.3918632E+01 3,-1 70 3 +1 -0.224879 -2.266939 -1.079960 Rho 0.7031395E-02 |GRAD(Rho)| 0.3623041E-17 GRAD(Rho)x -0.1484002E-17 GRAD(Rho)y 0.3296652E-17 GRAD(Rho)z -0.2371692E-18 Laplacian 0.2807457E-01 (-1/4)Del**2(Rho)) -0.7018643E-02 Diamond 0.7989926E-03 Metallicity 0.6334357E+00 Ellipticity -0.1855838E+01 Gb(Abramov) 0.5420072E-02 Vb(Abramov) -0.3821501E-02 Hb(Abramov) 0.1598571E-02 Ex_ueg -0.9948869E-03 Ec_ueg -0.2353529E-03 Delta_ex -0.1353637E-02 Delta_ec 0.6347405E-03 Delta_et -0.3912860E-02 Pxc 0.4227214E+01 Qxc -0.2132583E+01 3,+1 71 3 +1 -0.643612 -1.686203 0.541623 Rho 0.9228217E-02 |GRAD(Rho)| 0.4634618E-17 GRAD(Rho)x 0.3385591E-17 GRAD(Rho)y 0.2981556E-18 GRAD(Rho)z 0.3150963E-17 Laplacian 0.3842279E-01 (-1/4)Del**2(Rho)) -0.9605697E-02 Diamond 0.1173491E-02 Metallicity 0.7281496E+00 Ellipticity -0.1441566E+01 Gb(Abramov) 0.7569529E-02 Vb(Abramov) -0.5533360E-02 Hb(Abramov) 0.2036168E-02 Ex_ueg -0.1429581E-02 Ec_ueg -0.3331752E-03 Delta_ex -0.1804031E-02 Delta_ec 0.5710532E-03 Delta_et -0.3950233E-02 Pxc 0.4290779E+01 Qxc -0.3159130E+01 3,+1 72 3 +1 -0.234586 -0.432645 -3.054840 Rho 0.3346780E-02 |GRAD(Rho)| 0.3374461E-16 GRAD(Rho)x -0.2717646E-16 GRAD(Rho)y -0.1871953E-16 GRAD(Rho)z -0.7051081E-17 Laplacian 0.1322190E-01 (-1/4)Del**2(Rho)) -0.3305476E-02 Diamond 0.1550208E-03 Metallicity 0.3902693E+00 Ellipticity -0.1559374E+01 Gb(Abramov) 0.2418655E-02 Vb(Abramov) -0.1531834E-02 Hb(Abramov) 0.8868210E-03 Ex_ueg -0.3697328E-03 Ec_ueg -0.7647684E-04 Delta_ex -0.5704388E-03 Delta_ec 0.3460099E-03 Delta_et -0.1694029E-02 Pxc 0.4834572E+01 Qxc -0.1648620E+01 3,+1 73 3 +1 -0.330058 -1.118148 -2.566682 Rho 0.3585619E-02 |GRAD(Rho)| 0.1066655E-15 GRAD(Rho)x 0.8091706E-16 GRAD(Rho)y 0.1689450E-16 GRAD(Rho)z 0.6741318E-16 Laplacian 0.1441235E-01 (-1/4)Del**2(Rho)) -0.3603086E-02 Diamond 0.1441695E-03 Metallicity 0.4016231E+00 Ellipticity -0.1286343E+01 Gb(Abramov) 0.2643238E-02 Vb(Abramov) -0.1683390E-02 Hb(Abramov) 0.9598484E-03 Ex_ueg -0.4053255E-03 Ec_ueg -0.8656340E-04 Delta_ex -0.5706021E-03 Delta_ec 0.2707639E-03 Delta_et -0.1406037E-02 Pxc 0.4682412E+01 Qxc -0.2107379E+01 3,+1 74 3 -1 0.236973 -1.170455 -1.880309 Rho 0.5754223E-02 |GRAD(Rho)| 0.2293279E-15 GRAD(Rho)x 0.9358242E-16 GRAD(Rho)y 0.1663379E-15 GRAD(Rho)z 0.1271430E-15 Laplacian 0.2309719E-01 (-1/4)Del**2(Rho)) -0.5774297E-02 Diamond 0.8013758E-03 Metallicity 0.5512712E+00 Ellipticity 0.7059654E+00 Gb(Abramov) 0.4380065E-02 Vb(Abramov) -0.2985833E-02 Hb(Abramov) 0.1394232E-02 Ex_ueg -0.7615540E-03 Ec_ueg -0.1795131E-03 Delta_ex -0.1296308E-02 Delta_ec 0.9345024E-03 Delta_et -0.5211270E-02 Pxc 0.4242330E+01 Qxc -0.1387164E+01 3,-1 75 3 +1 0.532600 0.473009 1.678479 Rho 0.8471604E-02 |GRAD(Rho)| 0.7696496E-15 GRAD(Rho)x -0.4547606E-15 GRAD(Rho)y 0.6106378E-15 GRAD(Rho)z 0.1125822E-15 Laplacian 0.3554581E-01 (-1/4)Del**2(Rho)) -0.8886453E-02 Diamond 0.1006217E-02 Metallicity 0.6824971E+00 Ellipticity -0.1443313E+01 Gb(Abramov) 0.6935132E-02 Vb(Abramov) -0.4983810E-02 Hb(Abramov) 0.1951321E-02 Ex_ueg -0.1275477E-02 Ec_ueg -0.2992390E-03 Delta_ex -0.1651844E-02 Delta_ec 0.5611429E-03 Delta_et -0.3770825E-02 Pxc 0.4262402E+01 Qxc -0.2943715E+01 3,+1 76 3 +1 -0.575179 -0.554340 1.707381 Rho 0.8752801E-02 |GRAD(Rho)| 0.1173784E-15 GRAD(Rho)x 0.8538981E-16 GRAD(Rho)y -0.3140514E-17 GRAD(Rho)z -0.8047617E-16 Laplacian 0.3647441E-01 (-1/4)Del**2(Rho)) -0.9118603E-02 Diamond 0.1031703E-02 Metallicity 0.7023226E+00 Ellipticity -0.1414011E+01 Gb(Abramov) 0.7146435E-02 Vb(Abramov) -0.5174268E-02 Hb(Abramov) 0.1972167E-02 Ex_ueg -0.1332236E-02 Ec_ueg -0.3118220E-03 Delta_ex -0.1687779E-02 Delta_ec 0.5383104E-03 Delta_et -0.3675773E-02 Pxc 0.4272424E+01 Qxc -0.3135326E+01 3,+1 77 3 +1 0.108302 -0.113082 2.939134 Rho 0.5219223E-02 |GRAD(Rho)| 0.4833597E-16 GRAD(Rho)x 0.3496809E-16 GRAD(Rho)y -0.3308381E-16 GRAD(Rho)z 0.4365724E-17 Laplacian 0.2150861E-01 (-1/4)Del**2(Rho)) -0.5377152E-02 Diamond 0.5353518E-03 Metallicity 0.5031266E+00 Ellipticity -0.3239898E+01 Gb(Abramov) 0.4035666E-02 Vb(Abramov) -0.2694180E-02 Hb(Abramov) 0.1341486E-02 Ex_ueg -0.6686408E-03 Ec_ueg -0.1563590E-03 Delta_ex -0.1081796E-02 Delta_ec 0.6835232E-03 Delta_et -0.3757721E-02 Pxc 0.4276317E+01 Qxc -0.1582677E+01 3,+1 78 3 +3 -0.203222 -0.451852 -2.591970 Rho 0.3143097E-02 |GRAD(Rho)| 0.5596169E-17 GRAD(Rho)x -0.4292617E-17 GRAD(Rho)y 0.2800794E-17 GRAD(Rho)z -0.2246353E-17 Laplacian 0.1250570E-01 (-1/4)Del**2(Rho)) -0.3126425E-02 Diamond 0.9564377E-04 Metallicity 0.3716220E+00 Ellipticity -0.8125838E+00 Gb(Abramov) 0.2277925E-02 Vb(Abramov) -0.1429425E-02 Hb(Abramov) 0.8485004E-03 Ex_ueg -0.3400391E-03 Ec_ueg -0.6789937E-04 Delta_ex -0.4655779E-03 Delta_ec 0.2068000E-03 Delta_et -0.1053892E-02 Pxc 0.5007986E+01 Qxc -0.2251343E+01 3,+3 79 3 -1 -0.469552 -0.391695 -0.366037 Rho 0.2069965E+00 |GRAD(Rho)| 0.5997414E-15 GRAD(Rho)x -0.3796444E-15 GRAD(Rho)y -0.3579056E-15 GRAD(Rho)z -0.2957424E-15 Laplacian 0.7658328E+00 (-1/4)Del**2(Rho)) -0.1914582E+00 Diamond 0.2493519E+01 Metallicity 0.6517547E+01 Ellipticity 0.3168751E-01 Gb(Abramov) 0.3356118E+00 Vb(Abramov) -0.4797653E+00 Hb(Abramov) -0.1441536E+00 Ex_ueg -0.9043482E-01 Ec_ueg -0.1218759E-01 Delta_ex -0.9051941E-01 Delta_ec 0.2027363E-01 Delta_et -0.2881897E+00 Pxc 0.7420240E+01 Qxc -0.4464884E+01 3,-1 80 3 +1 -0.608110 0.492496 -1.666962 Rho 0.9018234E-02 |GRAD(Rho)| 0.4666406E-13 GRAD(Rho)x -0.3853712E-13 GRAD(Rho)y -0.1629961E-13 GRAD(Rho)z -0.2065787E-13 Laplacian 0.3849540E-01 (-1/4)Del**2(Rho)) -0.9623849E-02 Diamond 0.1193701E-02 Metallicity 0.6994234E+00 Ellipticity -0.1456407E+01 Gb(Abramov) 0.7537757E-02 Vb(Abramov) -0.5451665E-02 Hb(Abramov) 0.2086092E-02 Ex_ueg -0.1386374E-02 Ec_ueg -0.3237316E-03 Delta_ex -0.1819950E-02 Delta_ec 0.6131383E-03 Delta_et -0.4185005E-02 Pxc 0.4282479E+01 Qxc -0.2968254E+01 3,+1 81 3 +1 2.087894 1.182266 -1.137583 Rho 0.2268000E-01 |GRAD(Rho)| 0.6317211E-16 GRAD(Rho)x 0.5493859E-16 GRAD(Rho)y 0.1844563E-16 GRAD(Rho)z -0.2514412E-16 Laplacian 0.8956150E-01 (-1/4)Del**2(Rho)) -0.2239038E-01 Diamond 0.1135813E-01 Metallicity 0.1398182E+01 Ellipticity -0.6268312E+01 Gb(Abramov) 0.2014455E-01 Vb(Abramov) -0.1789873E-01 Hb(Abramov) 0.2245823E-02 Ex_ueg -0.4741428E-02 Ec_ueg -0.9726305E-03 Delta_ex -0.5565386E-02 Delta_ec 0.1765678E-02 Delta_et -0.1514329E-01 Pxc 0.4874851E+01 Qxc -0.3151982E+01 3,+1 82 3 +1 -1.729285 -0.513898 0.585895 Rho 0.9503246E-02 |GRAD(Rho)| 0.4978713E-15 GRAD(Rho)x 0.3724329E-15 GRAD(Rho)y 0.2219394E-15 GRAD(Rho)z -0.2447703E-15 Laplacian 0.4009188E-01 (-1/4)Del**2(Rho)) -0.1002297E-01 Diamond 0.1293339E-02 Metallicity 0.7328414E+00 Ellipticity -0.1455262E+01 Gb(Abramov) 0.7906188E-02 Vb(Abramov) -0.5789406E-02 Hb(Abramov) 0.2116782E-02 Ex_ueg -0.1486669E-02 Ec_ueg -0.3455728E-03 Delta_ex -0.1903853E-02 Delta_ec 0.6091318E-03 Delta_et -0.4235980E-02 Pxc 0.4302043E+01 Qxc -0.3125519E+01 3,+1 83 3 +3 0.014678 -0.038851 2.342947 Rho 0.4506527E-02 |GRAD(Rho)| 0.4874109E-17 GRAD(Rho)x -0.2114035E-17 GRAD(Rho)y 0.3722811E-17 GRAD(Rho)z 0.2329908E-17 Laplacian 0.1868572E-01 (-1/4)Del**2(Rho)) -0.4671430E-02 Diamond 0.1633185E-03 Metallicity 0.4534262E+00 Ellipticity -0.3210231E+00 Gb(Abramov) 0.3467311E-02 Vb(Abramov) -0.2263193E-02 Hb(Abramov) 0.1204119E-02 Ex_ueg -0.5497615E-03 Ec_ueg -0.1257388E-03 Delta_ex -0.6807464E-03 Delta_ec 0.1777640E-03 Delta_et -0.1103415E-02 Pxc 0.4372249E+01 Qxc -0.3829495E+01 3,+3 84 3 +3 0.942959 -1.161329 -1.238915 Rho 0.4063225E-02 |GRAD(Rho)| 0.5857530E-17 GRAD(Rho)x -0.9969594E-18 GRAD(Rho)y 0.5651563E-17 GRAD(Rho)z -0.1173273E-17 Laplacian 0.1658770E-01 (-1/4)Del**2(Rho)) -0.4146924E-02 Diamond 0.1206802E-03 Metallicity 0.4298120E+00 Ellipticity -0.4437842E+00 Gb(Abramov) 0.3061682E-02 Vb(Abramov) -0.1976441E-02 Hb(Abramov) 0.1085242E-02 Ex_ueg -0.4788648E-03 Ec_ueg -0.1068250E-03 Delta_ex -0.5821935E-03 Delta_ec 0.1461924E-03 Delta_et -0.9006519E-03 Pxc 0.4482703E+01 Qxc -0.3982378E+01 3,+3 85 3 +3 -0.016697 2.317027 0.043163 Rho 0.4337959E-02 |GRAD(Rho)| 0.5559241E-17 GRAD(Rho)x -0.4424724E-17 GRAD(Rho)y 0.6754194E-18 GRAD(Rho)z -0.3297087E-17 Laplacian 0.1799482E-01 (-1/4)Del**2(Rho)) -0.4498706E-02 Diamond 0.1431315E-03 Metallicity 0.4418498E+00 Ellipticity -0.3486979E+00 Gb(Abramov) 0.3330429E-02 Vb(Abramov) -0.2162153E-02 Hb(Abramov) 0.1168277E-02 Ex_ueg -0.5225153E-03 Ec_ueg -0.1185347E-03 Delta_ex -0.6422863E-03 Delta_ec 0.1587240E-03 Delta_et -0.9930537E-03 Pxc 0.4408121E+01 Qxc -0.4046561E+01 3,+3 86 3 +1 0.518247 1.694785 0.539422 Rho 0.7801267E-02 |GRAD(Rho)| 0.2623035E-14 GRAD(Rho)x -0.2158423E-14 GRAD(Rho)y -0.1370894E-14 GRAD(Rho)z 0.5849547E-15 Laplacian 0.3223811E-01 (-1/4)Del**2(Rho)) -0.8059527E-02 Diamond 0.7957579E-03 Metallicity 0.6559219E+00 Ellipticity -0.1401258E+01 Gb(Abramov) 0.6254088E-02 Vb(Abramov) -0.4448649E-02 Hb(Abramov) 0.1805439E-02 Ex_ueg -0.1142717E-02 Ec_ueg -0.2693855E-03 Delta_ex -0.1457693E-02 Delta_ec 0.4905448E-03 Delta_et -0.3238778E-02 Pxc 0.4241938E+01 Qxc -0.2971579E+01 3,+1 87 3 -1 0.564244 1.800748 2.760281 Rho 0.1488147E+00 |GRAD(Rho)| 0.2021259E-15 GRAD(Rho)x 0.1360945E-15 GRAD(Rho)y -0.1312969E-15 GRAD(Rho)z 0.7137438E-16 Laplacian 0.6248002E+00 (-1/4)Del**2(Rho)) -0.1562001E+00 Diamond 0.1248451E+01 Metallicity 0.4609088E+01 Ellipticity 0.1425981E-01 Gb(Abramov) 0.2241234E+00 Vb(Abramov) -0.2920467E+00 Hb(Abramov) -0.6792330E-01 Ex_ueg -0.5824333E-01 Ec_ueg -0.8367681E-02 Delta_ex -0.6690963E-01 Delta_ec 0.1578142E-01 Delta_et -0.2096154E+00 Pxc 0.6960510E+01 Qxc -0.4239773E+01 3,-1 88 3 -1 -0.576360 2.769951 -1.774813 Rho 0.1512232E+00 |GRAD(Rho)| 0.2269935E-15 GRAD(Rho)x 0.1266348E-15 GRAD(Rho)y 0.3327145E-16 GRAD(Rho)z -0.1854257E-15 Laplacian 0.6266189E+00 (-1/4)Del**2(Rho)) -0.1566547E+00 Diamond 0.1279385E+01 Metallicity 0.4720345E+01 Ellipticity 0.1514860E-01 Gb(Abramov) 0.2276805E+00 Vb(Abramov) -0.2987063E+00 Hb(Abramov) -0.7102580E-01 Ex_ueg -0.5950356E-01 Ec_ueg -0.8521862E-02 Delta_ex -0.6739888E-01 Delta_ec 0.1581556E-01 Delta_et -0.2106539E+00 Pxc 0.6982460E+01 Qxc -0.4261554E+01 3,-1 89 3 +1 1.297635 2.068249 -1.031147 Rho 0.2424133E-01 |GRAD(Rho)| 0.8944201E-17 GRAD(Rho)x -0.5698559E-17 GRAD(Rho)y -0.6608264E-17 GRAD(Rho)z -0.1963668E-17 Laplacian 0.9359499E-01 (-1/4)Del**2(Rho)) -0.2339875E-01 Diamond 0.1173416E-01 Metallicity 0.1494932E+01 Ellipticity -0.3710797E+01 Gb(Abramov) 0.2142909E-01 Vb(Abramov) -0.1945942E-01 Hb(Abramov) 0.1969662E-02 Ex_ueg -0.5181558E-02 Ec_ueg -0.1050593E-02 Delta_ex -0.5773587E-02 Delta_ec 0.1588511E-02 Delta_et -0.1391647E-01 Pxc 0.4932033E+01 Qxc -0.3634590E+01 3,+1 90 3 +1 -0.146423 2.975394 0.169003 Rho 0.5244065E-02 |GRAD(Rho)| 0.3257486E-16 GRAD(Rho)x -0.2468324E-16 GRAD(Rho)y 0.9489564E-18 GRAD(Rho)z 0.2123580E-16 Laplacian 0.2172132E-01 (-1/4)Del**2(Rho)) -0.5430329E-02 Diamond 0.5258298E-03 Metallicity 0.5021581E+00 Ellipticity -0.2567242E+01 Gb(Abramov) 0.4074700E-02 Vb(Abramov) -0.2719071E-02 Hb(Abramov) 0.1355629E-02 Ex_ueg -0.6728876E-03 Ec_ueg -0.1574310E-03 Delta_ex -0.1077571E-02 Delta_ec 0.6618440E-03 Delta_et -0.3655060E-02 Pxc 0.4274175E+01 Qxc -0.1628135E+01 3,+1 91 3 -1 0.570908 2.797830 1.811880 Rho 0.1345150E+00 |GRAD(Rho)| 0.1967635E-15 GRAD(Rho)x 0.1570196E-15 GRAD(Rho)y -0.3218725E-16 GRAD(Rho)z -0.1141258E-15 Laplacian 0.5640717E+00 (-1/4)Del**2(Rho)) -0.1410179E+00 Diamond 0.1011020E+01 Metallicity 0.4314164E+01 Ellipticity 0.1112337E-01 Gb(Abramov) 0.1954077E+00 Vb(Abramov) -0.2497975E+00 Hb(Abramov) -0.5438977E-01 Ex_ueg -0.5090330E-01 Ec_ueg -0.7459746E-02 Delta_ex -0.5908063E-01 Delta_ec 0.1486636E-01 Delta_et -0.1950600E+00 Pxc 0.6823731E+01 Qxc -0.3974116E+01 3,-1 92 3 -1 -0.070061 3.133698 -3.169171 Rho 0.2450759E+00 |GRAD(Rho)| 0.9742594E-15 GRAD(Rho)x 0.1186388E-15 GRAD(Rho)y -0.6777348E-15 GRAD(Rho)z 0.6897694E-15 Laplacian 0.8965026E+00 (-1/4)Del**2(Rho)) -0.2241257E+00 Diamond 0.3242931E+01 Metallicity 0.7377276E+01 Ellipticity 0.1621498E-02 Gb(Abramov) 0.4249899E+00 Vb(Abramov) -0.6258541E+00 Hb(Abramov) -0.2008642E+00 Ex_ueg -0.1132711E+00 Ec_ueg -0.1479070E-01 Delta_ex -0.1088654E+00 Delta_ec 0.1960154E-01 Delta_et -0.2713307E+00 Pxc 0.7658266E+01 Qxc -0.5553924E+01 3,-1 93 3 -1 0.065415 3.186363 3.209517 Rho 0.2438002E+00 |GRAD(Rho)| 0.2554179E-10 GRAD(Rho)x 0.4780844E-11 GRAD(Rho)y 0.1758052E-10 GRAD(Rho)z 0.1790116E-10 Laplacian 0.8872207E+00 (-1/4)Del**2(Rho)) -0.2218052E+00 Diamond 0.3194435E+01 Metallicity 0.7389892E+01 Ellipticity 0.7261615E-02 Gb(Abramov) 0.4210562E+00 Vb(Abramov) -0.6203072E+00 Hb(Abramov) -0.1992510E+00 Ex_ueg -0.1124856E+00 Ec_ueg -0.1470220E-01 Delta_ex -0.1076182E+00 Delta_ec 0.1947720E-01 Delta_et -0.2697895E+00 Pxc 0.7650937E+01 Qxc -0.5525341E+01 3,-1 94 3 -1 -0.505226 1.680608 1.706802 Rho 0.4138183E-01 |GRAD(Rho)| 0.1522628E-15 GRAD(Rho)x 0.2810911E-16 GRAD(Rho)y 0.5922052E-16 GRAD(Rho)z 0.1374292E-15 Laplacian 0.1637154E+00 (-1/4)Del**2(Rho)) -0.4092884E-01 Diamond 0.6340525E-01 Metallicity 0.2083883E+01 Ellipticity 0.3513516E-01 Gb(Abramov) 0.4150104E-01 Vb(Abramov) -0.4207325E-01 Hb(Abramov) -0.5722037E-03 Ex_ueg -0.1057137E-01 Ec_ueg -0.1944346E-02 Delta_ex -0.1281073E-01 Delta_ec 0.4808863E-02 Delta_et -0.4821996E-01 Pxc 0.5436979E+01 Qxc -0.2663984E+01 3,-1 95 3 +1 -1.174703 1.203082 2.160768 Rho 0.2499781E-01 |GRAD(Rho)| 0.1573155E-10 GRAD(Rho)x 0.1206178E-10 GRAD(Rho)y 0.9108369E-11 GRAD(Rho)z -0.4362636E-11 Laplacian 0.9802154E-01 (-1/4)Del**2(Rho)) -0.2450538E-01 Diamond 0.1324782E-01 Metallicity 0.1502432E+01 Ellipticity -0.4440280E+01 Gb(Abramov) 0.2247320E-01 Vb(Abramov) -0.2044102E-01 Hb(Abramov) 0.2032182E-02 Ex_ueg -0.5398266E-02 Ec_ueg -0.1088604E-02 Delta_ex -0.6142888E-02 Delta_ec 0.1746591E-02 Delta_et -0.1539785E-01 Pxc 0.4958890E+01 Qxc -0.3517072E+01 3,+1 96 3 -1 0.819419 -2.966854 1.996871 Rho 0.1448988E+00 |GRAD(Rho)| 0.1210662E-11 GRAD(Rho)x 0.8745608E-12 GRAD(Rho)y -0.5194019E-12 GRAD(Rho)z -0.6565573E-12 Laplacian 0.5740402E+00 (-1/4)Del**2(Rho)) -0.1435100E+00 Diamond 0.1119428E+01 Metallicity 0.4798575E+01 Ellipticity 0.4375772E-01 Gb(Abramov) 0.2104473E+00 Vb(Abramov) -0.2773846E+00 Hb(Abramov) -0.6693728E-01 Ex_ueg -0.5620888E-01 Ec_ueg -0.8117769E-02 Delta_ex -0.6116201E-01 Delta_ec 0.1475480E-01 Delta_et -0.1955950E+00 Pxc 0.6924177E+01 Qxc -0.4145228E+01 3,-1 97 3 -1 1.128411 -2.303006 -2.042808 Rho 0.4183092E-01 |GRAD(Rho)| 0.5693072E-16 GRAD(Rho)x 0.1016176E-16 GRAD(Rho)y 0.5042224E-16 GRAD(Rho)z -0.2440171E-16 Laplacian 0.1211771E+00 (-1/4)Del**2(Rho)) -0.3029428E-01 Diamond 0.7321864E-01 Metallicity 0.2866519E+01 Ellipticity 0.1733610E-01 Gb(Abramov) 0.3466938E-01 Vb(Abramov) -0.3904447E-01 Hb(Abramov) -0.4375094E-02 Ex_ueg -0.1072461E-01 Ec_ueg -0.1968560E-02 Delta_ex -0.1090697E-01 Delta_ec 0.6057454E-02 Delta_et -0.6128492E-01 Pxc 0.5447947E+01 Qxc -0.1800586E+01 3,-1 98 3 -1 0.098735 -1.980893 -1.027395 Rho 0.7525500E-02 |GRAD(Rho)| 0.1267054E-16 GRAD(Rho)x -0.9311433E-17 GRAD(Rho)y 0.8306005E-17 GRAD(Rho)z 0.2202286E-17 Laplacian 0.2931805E-01 (-1/4)Del**2(Rho)) -0.7329513E-02 Diamond 0.1394594E-02 Metallicity 0.6792616E+00 Ellipticity 0.5350613E+00 Gb(Abramov) 0.5716118E-02 Vb(Abramov) -0.4102723E-02 Hb(Abramov) 0.1613395E-02 Ex_ueg -0.1089178E-02 Ec_ueg -0.2571636E-03 Delta_ex -0.1693712E-02 Delta_ec 0.1124176E-02 Delta_et -0.6823527E-02 Pxc 0.4235351E+01 Qxc -0.1506625E+01 3,-1 99 3 +1 0.300027 -1.542694 -1.661856 Rho 0.5475319E-02 |GRAD(Rho)| 0.9825591E-17 GRAD(Rho)x 0.5542878E-17 GRAD(Rho)y -0.6116213E-17 GRAD(Rho)z 0.5330167E-17 Laplacian 0.2169232E-01 (-1/4)Del**2(Rho)) -0.5423081E-02 Diamond 0.5037292E-03 Metallicity 0.5403263E+00 Ellipticity -0.2110181E+01 Gb(Abramov) 0.4103760E-02 Vb(Abramov) -0.2784438E-02 Hb(Abramov) 0.1319321E-02 Ex_ueg -0.7127397E-03 Ec_ueg -0.1674247E-03 Delta_ex -0.1041905E-02 Delta_ec 0.5834301E-03 Delta_et -0.3295874E-02 Pxc 0.4257076E+01 Qxc -0.1785826E+01 3,+1 100 3 +1 0.374334 -1.786038 -0.688693 Rho 0.6931758E-02 |GRAD(Rho)| 0.4853225E-16 GRAD(Rho)x -0.8826083E-18 GRAD(Rho)y 0.3269039E-16 GRAD(Rho)z 0.3585999E-16 Laplacian 0.2822876E-01 (-1/4)Del**2(Rho)) -0.7057190E-02 Diamond 0.7717951E-03 Metallicity 0.6151679E+00 Ellipticity -0.1762553E+01 Gb(Abramov) 0.5428352E-02 Vb(Abramov) -0.3799515E-02 Hb(Abramov) 0.1628837E-02 Ex_ueg -0.9761343E-03 Ec_ueg -0.2309685E-03 Delta_ex -0.1346982E-02 Delta_ec 0.6208129E-03 Delta_et -0.3820743E-02 Pxc 0.4226265E+01 Qxc -0.2169706E+01 3,+1 101 3 +1 1.989732 -2.014428 2.018005 Rho 0.1205262E-01 |GRAD(Rho)| 0.2627321E-16 GRAD(Rho)x 0.1877181E-16 GRAD(Rho)y 0.1791862E-16 GRAD(Rho)z -0.4101705E-17 Laplacian 0.5635309E-01 (-1/4)Del**2(Rho)) -0.1408827E-01 Diamond 0.1958844E-02 Metallicity 0.7747550E+00 Ellipticity -0.1196678E+01 Gb(Abramov) 0.1121134E-01 Vb(Abramov) -0.8334410E-02 Hb(Abramov) 0.2876931E-02 Ex_ueg -0.2040924E-02 Ec_ueg -0.4619985E-03 Delta_ex -0.2683329E-02 Delta_ec 0.5710021E-03 Delta_et -0.4409169E-02 Pxc 0.4417599E+01 Qxc -0.4699333E+01 3,+1 102 3 +1 1.290738 -2.150017 0.991281 Rho 0.2514364E-01 |GRAD(Rho)| 0.2832651E-16 GRAD(Rho)x 0.5045165E-18 GRAD(Rho)y 0.1666800E-16 GRAD(Rho)z -0.2289792E-16 Laplacian 0.9974378E-01 (-1/4)Del**2(Rho)) -0.2493594E-01 Diamond 0.1289314E-01 Metallicity 0.1490874E+01 Ellipticity -0.3165583E+01 Gb(Abramov) 0.2282002E-01 Vb(Abramov) -0.2070410E-01 Hb(Abramov) 0.2115924E-02 Ex_ueg -0.5440296E-02 Ec_ueg -0.1095949E-02 Delta_ex -0.6185483E-02 Delta_ec 0.1643403E-02 Delta_et -0.1453817E-01 Pxc 0.4964006E+01 Qxc -0.3763825E+01 3,+1 103 3 +1 2.023218 1.981296 -1.996704 Rho 0.1266522E-01 |GRAD(Rho)| 0.7038141E-16 GRAD(Rho)x -0.4335881E-16 GRAD(Rho)y -0.2065865E-16 GRAD(Rho)z 0.5144683E-16 Laplacian 0.6031757E-01 (-1/4)Del**2(Rho)) -0.1507939E-01 Diamond 0.2216654E-02 Metallicity 0.7861832E+00 Ellipticity -0.1177738E+01 Gb(Abramov) 0.1202879E-01 Vb(Abramov) -0.8978187E-02 Hb(Abramov) 0.3050603E-02 Ex_ueg -0.2180396E-02 Ec_ueg -0.4903643E-03 Delta_ex -0.2903665E-02 Delta_ec 0.5976030E-03 Delta_et -0.4678582E-02 Pxc 0.4446482E+01 Qxc -0.4858853E+01 3,+1 104 3 -1 1.662543 1.676443 -0.473169 Rho 0.3340129E-01 |GRAD(Rho)| 0.1716977E-13 GRAD(Rho)x 0.1150438E-13 GRAD(Rho)y 0.1144197E-13 GRAD(Rho)z 0.5615287E-14 Laplacian 0.1267940E+00 (-1/4)Del**2(Rho)) -0.3169850E-01 Diamond 0.3587481E-01 Metallicity 0.1882723E+01 Ellipticity 0.1894756E-01 Gb(Abramov) 0.3107892E-01 Vb(Abramov) -0.3045933E-01 Hb(Abramov) 0.6195817E-03 Ex_ueg -0.7944551E-02 Ec_ueg -0.1520347E-02 Delta_ex -0.9349562E-02 Delta_ec 0.3621392E-02 Delta_et -0.3426394E-01 Pxc 0.5225484E+01 Qxc -0.2581759E+01 3,-1 105 3 +3 1.113806 1.076722 1.067856 Rho 0.4501800E-02 |GRAD(Rho)| 0.3371788E-15 GRAD(Rho)x 0.6088335E-16 GRAD(Rho)y -0.3314348E-15 GRAD(Rho)z -0.1156416E-16 Laplacian 0.1840039E-01 (-1/4)Del**2(Rho)) -0.4600098E-02 Diamond 0.1251253E-03 Metallicity 0.4596527E+00 Ellipticity -0.2779132E+00 Gb(Abramov) 0.3419140E-02 Vb(Abramov) -0.2238182E-02 Hb(Abramov) 0.1180958E-02 Ex_ueg -0.5489929E-03 Ec_ueg -0.1255366E-03 Delta_ex -0.6322887E-03 Delta_ec 0.1074108E-03 Delta_et -0.7579904E-03 Pxc 0.4373168E+01 Qxc -0.5886642E+01 3,+3 106 3 -1 1.809592 2.805475 0.595700 Rho 0.1509119E+00 |GRAD(Rho)| 0.1884604E-15 GRAD(Rho)x -0.1866725E-15 GRAD(Rho)y -0.2571592E-16 GRAD(Rho)z 0.3062871E-17 Laplacian 0.6369381E+00 (-1/4)Del**2(Rho)) -0.1592345E+00 Diamond 0.1299605E+01 Metallicity 0.4627949E+01 Ellipticity 0.1401891E-01 Gb(Abramov) 0.2289779E+00 Vb(Abramov) -0.2987213E+00 Hb(Abramov) -0.6974338E-01 Ex_ueg -0.5934032E-01 Ec_ueg -0.8501917E-02 Delta_ex -0.6849743E-01 Delta_ec 0.1612600E-01 Delta_et -0.2148254E+00 Pxc 0.6979640E+01 Qxc -0.4247641E+01 3,-1 107 3 +1 1.768925 1.779549 1.751555 Rho 0.1232963E-01 |GRAD(Rho)| 0.1814849E-13 GRAD(Rho)x -0.1078640E-13 GRAD(Rho)y 0.1430740E-13 GRAD(Rho)z -0.2884334E-14 Laplacian 0.6169867E-01 (-1/4)Del**2(Rho)) -0.1542467E-01 Diamond 0.2547894E-02 Metallicity 0.7349440E+00 Ellipticity -0.1260138E+01 Gb(Abramov) 0.1217249E-01 Vb(Abramov) -0.8920312E-02 Hb(Abramov) 0.3252178E-02 Ex_ueg -0.2103707E-02 Ec_ueg -0.4748073E-03 Delta_ex -0.3049521E-02 Delta_ec 0.7918861E-03 Delta_et -0.5984047E-02 Pxc 0.4430654E+01 Qxc -0.3850960E+01 3,+1 108 3 +1 1.677420 0.504171 0.575090 Rho 0.7159080E-02 |GRAD(Rho)| 0.9172609E-17 GRAD(Rho)x 0.5073488E-17 GRAD(Rho)y 0.1128950E-17 GRAD(Rho)z 0.7557906E-17 Laplacian 0.2900336E-01 (-1/4)Del**2(Rho)) -0.7250841E-02 Diamond 0.6558345E-03 Metallicity 0.6318202E+00 Ellipticity -0.1419131E+01 Gb(Abramov) 0.5597432E-02 Vb(Abramov) -0.3944023E-02 Hb(Abramov) 0.1653409E-02 Ex_ueg -0.1019048E-02 Ec_ueg -0.2409782E-03 Delta_ex -0.1294791E-02 Delta_ec 0.4606348E-03 Delta_et -0.2957783E-02 Pxc 0.4228798E+01 Qxc -0.2810884E+01 3,+1 109 3 -1 1.982876 2.959842 -0.824339 Rho 0.1421472E+00 |GRAD(Rho)| 0.9103988E-15 GRAD(Rho)x 0.4796646E-15 GRAD(Rho)y -0.8523862E-16 GRAD(Rho)z 0.7690788E-15 Laplacian 0.5674722E+00 (-1/4)Del**2(Rho)) -0.1418680E+00 Diamond 0.1080600E+01 Metallicity 0.4701458E+01 Ellipticity 0.3002305E-01 Gb(Abramov) 0.2057431E+00 Vb(Abramov) -0.2696182E+00 Hb(Abramov) -0.6387508E-01 Ex_ueg -0.5479020E-01 Ec_ueg -0.7942733E-02 Delta_ex -0.6017102E-01 Delta_ec 0.1463882E-01 Delta_et -0.1934755E+00 Pxc 0.6898154E+01 Qxc -0.4110375E+01 3,-1 110 3 +3 1.822173 1.777054 -1.789389 Rho 0.1211560E-01 |GRAD(Rho)| 0.1590393E-16 GRAD(Rho)x 0.3521786E-17 GRAD(Rho)y 0.1250394E-16 GRAD(Rho)z 0.9175152E-17 Laplacian 0.5529042E-01 (-1/4)Del**2(Rho)) -0.1382261E-01 Diamond 0.1144614E-02 Metallicity 0.7965351E+00 Ellipticity -0.5879592E+00 Gb(Abramov) 0.1105010E-01 Vb(Abramov) -0.8277599E-02 Hb(Abramov) 0.2772503E-02 Ex_ueg -0.2055157E-02 Ec_ueg -0.4649082E-03 Delta_ex -0.2410756E-02 Delta_ec 0.1572356E-03 Delta_et -0.1610238E-02 Pxc 0.4420565E+01 Qxc -0.1533213E+02 3,+3 111 3 -1 2.796851 1.830527 0.604847 Rho 0.1529605E+00 |GRAD(Rho)| 0.3487327E-15 GRAD(Rho)x 0.1074580E-15 GRAD(Rho)y -0.3232820E-15 GRAD(Rho)z 0.7453890E-16 Laplacian 0.6421392E+00 (-1/4)Del**2(Rho)) -0.1605348E+00 Diamond 0.1331672E+01 Metallicity 0.4694791E+01 Ellipticity 0.1386599E-01 Gb(Abramov) 0.2326361E+00 Vb(Abramov) -0.3047374E+00 Hb(Abramov) -0.7210128E-01 Ex_ueg -0.6041677E-01 Ec_ueg -0.8633299E-02 Delta_ex -0.6928707E-01 Delta_ec 0.1620420E-01 Delta_et -0.2162682E+00 Pxc 0.6998110E+01 Qxc -0.4275872E+01 3,-1 112 3 +1 0.439680 -0.784987 -1.776483 Rho 0.5399946E-02 |GRAD(Rho)| 0.3248048E-16 GRAD(Rho)x 0.9319500E-17 GRAD(Rho)y 0.2661662E-16 GRAD(Rho)z 0.1611472E-16 Laplacian 0.2226007E-01 (-1/4)Del**2(Rho)) -0.5565017E-02 Diamond 0.4768387E-03 Metallicity 0.5145202E+00 Ellipticity -0.1752020E+01 Gb(Abramov) 0.4187230E-02 Vb(Abramov) -0.2809444E-02 Hb(Abramov) 0.1377787E-02 Ex_ueg -0.6996878E-03 Ec_ueg -0.1641645E-03 Delta_ex -0.1040555E-02 Delta_ec 0.5530430E-03 Delta_et -0.3132895E-02 Pxc 0.4262114E+01 Qxc -0.1881509E+01 3,+1 113 3 +1 2.969168 -0.095024 0.131626 Rho 0.4779507E-02 |GRAD(Rho)| 0.3755362E-17 GRAD(Rho)x -0.1180817E-17 GRAD(Rho)y -0.2425368E-17 GRAD(Rho)z 0.2612663E-17 Laplacian 0.1964569E-01 (-1/4)Del**2(Rho)) -0.4911422E-02 Diamond 0.4475156E-03 Metallicity 0.4756832E+00 Ellipticity -0.3128830E+01 Gb(Abramov) 0.3663661E-02 Vb(Abramov) -0.2415901E-02 Hb(Abramov) 0.1247760E-02 Ex_ueg -0.5946059E-03 Ec_ueg -0.1374365E-03 Delta_ex -0.9844278E-03 Delta_ec 0.6473671E-03 Delta_et -0.3456754E-02 Pxc 0.4326406E+01 Qxc -0.1520664E+01 3,+1 114 3 -1 2.968198 -0.854718 1.979811 Rho 0.1694236E+00 |GRAD(Rho)| 0.6877809E-13 GRAD(Rho)x -0.1935954E-13 GRAD(Rho)y 0.4963394E-13 GRAD(Rho)z 0.4349835E-13 Laplacian 0.6626803E+00 (-1/4)Del**2(Rho)) -0.1656701E+00 Diamond 0.1534599E+01 Metallicity 0.5394262E+01 Ellipticity 0.6733240E-01 Gb(Abramov) 0.2593914E+00 Vb(Abramov) -0.3531127E+00 Hb(Abramov) -0.9372129E-01 Ex_ueg -0.6923889E-01 Ec_ueg -0.9698285E-02 Delta_ex -0.7317792E-01 Delta_ec 0.1600418E-01 Delta_et -0.2155792E+00 Pxc 0.7139292E+01 Qxc -0.4572426E+01 3,-1 115 3 +1 1.317593 -1.030995 2.096171 Rho 0.2271021E-01 |GRAD(Rho)| 0.2116591E-15 GRAD(Rho)x -0.1426026E-15 GRAD(Rho)y 0.1562854E-15 GRAD(Rho)z 0.6241038E-17 Laplacian 0.8761277E-01 (-1/4)Del**2(Rho)) -0.2190319E-01 Diamond 0.9553168E-02 Metallicity 0.1432456E+01 Ellipticity -0.2763408E+01 Gb(Abramov) 0.1983135E-01 Vb(Abramov) -0.1775951E-01 Hb(Abramov) 0.2071839E-02 Ex_ueg -0.4749852E-02 Ec_ueg -0.9741327E-03 Delta_ex -0.5251354E-02 Delta_ec 0.1379439E-02 Delta_et -0.1192352E-01 Pxc 0.4875980E+01 Qxc -0.3806878E+01 3,+1 116 3 -1 2.887306 -2.017392 0.779602 Rho 0.8545776E-01 |GRAD(Rho)| 0.1229025E-15 GRAD(Rho)x -0.3299193E-16 GRAD(Rho)y 0.9127627E-17 GRAD(Rho)z 0.1180391E-15 Laplacian 0.3393616E+00 (-1/4)Del**2(Rho)) -0.8484041E-01 Diamond 0.3471839E+00 Metallicity 0.3366688E+01 Ellipticity 0.2925170E-02 Gb(Abramov) 0.1041655E+00 Vb(Abramov) -0.1234905E+00 Hb(Abramov) -0.1932507E-01 Ex_ueg -0.2780057E-01 Ec_ueg -0.4452908E-02 Delta_ex -0.3185565E-01 Delta_ec 0.9717315E-02 Delta_et -0.1167640E+00 Pxc 0.6243240E+01 Qxc -0.3278236E+01 3,-1 117 3 -1 2.821301 -0.576641 -1.798311 Rho 0.1459622E+00 |GRAD(Rho)| 0.1971746E-15 GRAD(Rho)x 0.1792999E-16 GRAD(Rho)y -0.1336144E-15 GRAD(Rho)z 0.1438872E-15 Laplacian 0.6016886E+00 (-1/4)Del**2(Rho)) -0.1504222E+00 Diamond 0.1182570E+01 Metallicity 0.4634207E+01 Ellipticity 0.1640608E-01 Gb(Abramov) 0.2164627E+00 Vb(Abramov) -0.2825032E+00 Hb(Abramov) -0.6604052E-01 Ex_ueg -0.5675955E-01 Ec_ueg -0.8185540E-02 Delta_ex -0.6421098E-01 Delta_ec 0.1541693E-01 Delta_et -0.2045440E+00 Pxc 0.6934124E+01 Qxc -0.4164965E+01 3,-1 118 3 -1 1.671833 -0.542875 1.675091 Rho 0.3169608E-01 |GRAD(Rho)| 0.2504531E-14 GRAD(Rho)x -0.1054307E-14 GRAD(Rho)y -0.1765172E-14 GRAD(Rho)z -0.1430134E-14 Laplacian 0.1288778E+00 (-1/4)Del**2(Rho)) -0.3221945E-01 Diamond 0.3559325E-01 Metallicity 0.1697375E+01 Ellipticity 0.4602770E-01 Gb(Abramov) 0.3059438E-01 Vb(Abramov) -0.2896931E-01 Hb(Abramov) 0.1625071E-02 Ex_ueg -0.7408425E-02 Ec_ueg -0.1431421E-02 Delta_ex -0.9511077E-02 Delta_ec 0.3913461E-02 Delta_et -0.3649504E-01 Pxc 0.5175575E+01 Qxc -0.2430349E+01 3,-1 119 3 -1 1.692238 0.468797 -1.689950 Rho 0.3467187E-01 |GRAD(Rho)| 0.2368640E-16 GRAD(Rho)x 0.1047070E-16 GRAD(Rho)y 0.1324791E-16 GRAD(Rho)z 0.1661032E-16 Laplacian 0.1331267E+00 (-1/4)Del**2(Rho)) -0.3328168E-01 Diamond 0.3982992E-01 Metallicity 0.1908286E+01 Ellipticity 0.3153798E-01 Gb(Abramov) 0.3277294E-01 Vb(Abramov) -0.3226421E-01 Hb(Abramov) 0.5087334E-03 Ex_ueg -0.8350031E-02 Ec_ueg -0.1587011E-02 Delta_ex -0.9921555E-02 Delta_ec 0.3826576E-02 Delta_et -0.3657560E-01 Pxc 0.5261484E+01 Qxc -0.2592802E+01 3,-1 120 3 -1 3.293561 -0.014781 -3.174143 Rho 0.2453291E+00 |GRAD(Rho)| 0.1187592E-15 GRAD(Rho)x 0.5605325E-16 GRAD(Rho)y -0.5183842E-16 GRAD(Rho)z -0.9096456E-16 Laplacian 0.8809431E+00 (-1/4)Del**2(Rho)) -0.2202358E+00 Diamond 0.3202460E+01 Metallicity 0.7520508E+01 Ellipticity 0.2325010E-02 Gb(Abramov) 0.4228713E+00 Vb(Abramov) -0.6255069E+00 Hb(Abramov) -0.2026356E+00 Ex_ueg -0.1134272E+00 Ec_ueg -0.1480828E-01 Delta_ex -0.1070662E+00 Delta_ec 0.1936473E-01 Delta_et -0.2685587E+00 Pxc 0.7659716E+01 Qxc -0.5528928E+01 3,-1 121 3 -1 3.207345 0.021508 3.187054 Rho 0.2332761E+00 |GRAD(Rho)| 0.2086748E-15 GRAD(Rho)x 0.1142749E-15 GRAD(Rho)y 0.4439808E-16 GRAD(Rho)z -0.1688645E-15 Laplacian 0.8263020E+00 (-1/4)Del**2(Rho)) -0.2065755E+00 Diamond 0.2846552E+01 Metallicity 0.7372103E+01 Ellipticity 0.6796838E-02 Gb(Abramov) 0.3915330E+00 Vb(Abramov) -0.5764905E+00 Hb(Abramov) -0.1849575E+00 Ex_ueg -0.1060585E+00 Ec_ueg -0.1397555E-01 Delta_ex -0.9922096E-01 Delta_ec 0.1862831E-01 Delta_et -0.2586993E+00 Pxc 0.7588860E+01 Qxc -0.5326353E+01 3,-1 122 3 -1 -1.772431 -1.672728 -0.471183 Rho 0.4759170E-01 |GRAD(Rho)| 0.4514312E-16 GRAD(Rho)x 0.2250651E-16 GRAD(Rho)y 0.3841125E-16 GRAD(Rho)z -0.7478877E-17 Laplacian 0.1880676E+00 (-1/4)Del**2(Rho)) -0.4701691E-01 Diamond 0.8922126E-01 Metallicity 0.2290082E+01 Ellipticity 0.1885329E-01 Gb(Abramov) 0.4929004E-01 Vb(Abramov) -0.5156316E-01 Hb(Abramov) -0.2273128E-02 Ex_ueg -0.1273777E-01 Ec_ueg -0.2282190E-02 Delta_ex -0.1529278E-01 Delta_ec 0.5611695E-02 Delta_et -0.5841492E-01 Pxc 0.5581378E+01 Qxc -0.2725162E+01 3,-1 123 3 -1 -2.026246 -3.080802 -0.719230 Rho 0.1512190E+00 |GRAD(Rho)| 0.1386383E-12 GRAD(Rho)x 0.3897304E-13 GRAD(Rho)y 0.1324936E-13 GRAD(Rho)z 0.1323863E-12 Laplacian 0.5699481E+00 (-1/4)Del**2(Rho)) -0.1424870E+00 Diamond 0.1194564E+01 Metallicity 0.5189455E+01 Ellipticity 0.1167554E+00 Gb(Abramov) 0.2182297E+00 Vb(Abramov) -0.2939724E+00 Hb(Abramov) -0.7574267E-01 Ex_ueg -0.5950136E-01 Ec_ueg -0.8521593E-02 Delta_ex -0.6160772E-01 Delta_ec 0.1492941E-01 Delta_et -0.2001241E+00 Pxc 0.6982422E+01 Qxc -0.4126600E+01 3,-1 124 3 -1 -1.794032 0.460017 -2.833135 Rho 0.1225930E+00 |GRAD(Rho)| 0.1349620E-15 GRAD(Rho)x -0.7256701E-16 GRAD(Rho)y -0.9379026E-16 GRAD(Rho)z 0.6443718E-16 Laplacian 0.5097885E+00 (-1/4)Del**2(Rho)) -0.1274471E+00 Diamond 0.8137987E+00 Metallicity 0.4089461E+01 Ellipticity 0.1374734E-01 Gb(Abramov) 0.1718298E+00 Vb(Abramov) -0.2162124E+00 Hb(Abramov) -0.4438264E-01 Ex_ueg -0.4497862E-01 Ec_ueg -0.6712922E-02 Delta_ex -0.5217288E-01 Delta_ec 0.1365283E-01 Delta_et -0.1762539E+00 Pxc 0.6700304E+01 Qxc -0.3821396E+01 3,-1 125 3 -1 -1.704088 0.499348 1.723174 Rho 0.4219993E-01 |GRAD(Rho)| 0.2137222E-14 GRAD(Rho)x -0.1443562E-14 GRAD(Rho)y -0.5673352E-15 GRAD(Rho)z 0.1470367E-14 Laplacian 0.1655175E+00 (-1/4)Del**2(Rho)) -0.4137938E-01 Diamond 0.6573376E-01 Metallicity 0.2129554E+01 Ellipticity 0.1208039E-01 Gb(Abramov) 0.4227286E-01 Vb(Abramov) -0.4316634E-01 Hb(Abramov) -0.8934797E-03 Ex_ueg -0.1085094E-01 Ec_ueg -0.1988483E-02 Delta_ex -0.1300977E-01 Delta_ec 0.4851598E-02 Delta_et -0.4890196E-01 Pxc 0.5456894E+01 Qxc -0.2681544E+01 3,-1 126 3 +3 -1.172414 1.102124 -1.100316 Rho 0.4934844E-02 |GRAD(Rho)| 0.2970759E-16 GRAD(Rho)x -0.2887429E-16 GRAD(Rho)y 0.1849212E-17 GRAD(Rho)z 0.6737720E-17 Laplacian 0.2021604E-01 (-1/4)Del**2(Rho)) -0.5054009E-02 Diamond 0.1479798E-03 Metallicity 0.4875729E+00 Ellipticity -0.2720110E+00 Gb(Abramov) 0.3780039E-02 Vb(Abramov) -0.2506069E-02 Hb(Abramov) 0.1273970E-02 Ex_ueg -0.6205113E-03 Ec_ueg -0.1441100E-03 Delta_ex -0.7047175E-03 Delta_ec 0.1047744E-03 Delta_et -0.7820946E-03 Pxc 0.4305818E+01 Qxc -0.6726048E+01 3,+3 127 3 -1 -0.421909 0.332982 0.371063 Rho 0.1964848E+00 |GRAD(Rho)| 0.3670154E-14 GRAD(Rho)x -0.1809782E-14 GRAD(Rho)y 0.2273355E-14 GRAD(Rho)z 0.2242003E-14 Laplacian 0.6617816E+00 (-1/4)Del**2(Rho)) -0.1654454E+00 Diamond 0.2058073E+01 Metallicity 0.6914810E+01 Ellipticity 0.4362887E-02 Gb(Abramov) 0.3009675E+00 Vb(Abramov) -0.4364896E+00 Hb(Abramov) -0.1355221E+00 Ex_ueg -0.8436400E-01 Ec_ueg -0.1148313E-01 Delta_ex -0.7744783E-01 Delta_ec 0.1817929E-01 Delta_et -0.2580475E+00 Pxc 0.7346779E+01 Qxc -0.4260222E+01 3,-1 128 3 -1 0.000280 -3.284049 -1.272379 Rho 0.3407814E-01 |GRAD(Rho)| 0.1186223E-15 GRAD(Rho)x -0.1170648E-15 GRAD(Rho)y 0.1908880E-16 GRAD(Rho)z 0.1640524E-17 Laplacian 0.1062684E+00 (-1/4)Del**2(Rho)) -0.2656709E-01 Diamond 0.5051102E-01 Metallicity 0.2322748E+01 Ellipticity 0.3426638E-02 Gb(Abramov) 0.2799618E-01 Vb(Abramov) -0.2942526E-01 Hb(Abramov) -0.1429081E-02 Ex_ueg -0.8159925E-02 Ec_ueg -0.1555817E-02 Delta_ex -0.9284181E-02 Delta_ec 0.5550875E-02 Delta_et -0.5285000E-01 Pxc 0.5244783E+01 Qxc -0.1672562E+01 3,-1 129 3 -1 0.438735 -1.703556 1.679141 Rho 0.4445285E-01 |GRAD(Rho)| 0.1564774E-15 GRAD(Rho)x 0.1118208E-15 GRAD(Rho)y -0.3712884E-16 GRAD(Rho)z -0.1029696E-15 Laplacian 0.1759284E+00 (-1/4)Del**2(Rho)) -0.4398209E-01 Diamond 0.7547341E-01 Metallicity 0.2184959E+01 Ellipticity 0.1224695E-01 Gb(Abramov) 0.4533791E-01 Vb(Abramov) -0.4669372E-01 Hb(Abramov) -0.1355814E-02 Ex_ueg -0.1163013E-01 Ec_ueg -0.2110623E-02 Delta_ex -0.1403351E-01 Delta_ec 0.5198461E-02 Delta_et -0.5313528E-01 Pxc 0.5510281E+01 Qxc -0.2699551E+01 3,-1 130 3 -1 1.912130 -3.008264 0.798065 Rho 0.1262952E+00 |GRAD(Rho)| 0.2999232E-15 GRAD(Rho)x 0.2518127E-15 GRAD(Rho)y -0.2283601E-16 GRAD(Rho)z 0.1613157E-15 Laplacian 0.4906367E+00 (-1/4)Del**2(Rho)) -0.1226592E+00 Diamond 0.8105988E+00 Metallicity 0.4465100E+01 Ellipticity 0.3226602E-01 Gb(Abramov) 0.1730537E+00 Vb(Abramov) -0.2234482E+00 Hb(Abramov) -0.5039452E-01 Ex_ueg -0.4679874E-01 Ec_ueg -0.6943816E-02 Delta_ex -0.5055738E-01 Delta_ec 0.1302264E-01 Delta_et -0.1689254E+00 Pxc 0.6739628E+01 Qxc -0.3882267E+01 3,-1 131 3 -1 0.841825 1.928930 -2.944134 Rho 0.1319673E+00 |GRAD(Rho)| 0.8581292E-14 GRAD(Rho)x 0.8219201E-14 GRAD(Rho)y 0.5355959E-15 GRAD(Rho)z -0.2407579E-14 Laplacian 0.5253238E+00 (-1/4)Del**2(Rho)) -0.1313309E+00 Diamond 0.9146326E+00 Metallicity 0.4487077E+01 Ellipticity 0.2997577E-01 Gb(Abramov) 0.1857693E+00 Vb(Abramov) -0.2402077E+00 Hb(Abramov) -0.5443836E-01 Ex_ueg -0.4962193E-01 Ec_ueg -0.7299361E-02 Delta_ex -0.5470328E-01 Delta_ec 0.1379145E-01 Delta_et -0.1801793E+00 Pxc 0.6798120E+01 Qxc -0.3966463E+01 3,-1 132 3 -1 0.448380 1.637061 -1.665703 Rho 0.4508213E-01 |GRAD(Rho)| 0.1058413E-15 GRAD(Rho)x 0.4486882E-16 GRAD(Rho)y -0.8384102E-16 GRAD(Rho)z 0.4647416E-16 Laplacian 0.1774519E+00 (-1/4)Del**2(Rho)) -0.4436297E-01 Diamond 0.7763942E-01 Metallicity 0.2217549E+01 Ellipticity 0.1203954E-01 Gb(Abramov) 0.4597149E-01 Vb(Abramov) -0.4758001E-01 Hb(Abramov) -0.1608518E-02 Ex_ueg -0.1185016E-01 Ec_ueg -0.2144891E-02 Delta_ex -0.1420707E-01 Delta_ec 0.5246785E-02 Delta_et -0.5383004E-01 Pxc 0.5524830E+01 Qxc -0.2707766E+01 3,-1 133 3 +1 -1.387042 2.102638 1.018278 Rho 0.2432863E-01 |GRAD(Rho)| 0.8230941E-15 GRAD(Rho)x -0.6240202E-15 GRAD(Rho)y 0.3202146E-15 GRAD(Rho)z -0.4307497E-15 Laplacian 0.9493754E-01 (-1/4)Del**2(Rho)) -0.2373439E-01 Diamond 0.1127457E-01 Metallicity 0.1482648E+01 Ellipticity -0.2759911E+01 Gb(Abramov) 0.2168788E-01 Vb(Abramov) -0.1964137E-01 Hb(Abramov) 0.2046505E-02 Ex_ueg -0.5206454E-02 Ec_ueg -0.1054972E-02 Delta_ex -0.5784655E-02 Delta_ec 0.1473170E-02 Delta_et -0.1295205E-01 Pxc 0.4935160E+01 Qxc -0.3926672E+01 3,+1 134 3 +3 2.313440 -0.021942 0.058083 Rho 0.3954833E-02 |GRAD(Rho)| 0.3582655E-17 GRAD(Rho)x 0.1209752E-17 GRAD(Rho)y 0.3092454E-17 GRAD(Rho)z 0.1344858E-17 Laplacian 0.1629603E-01 (-1/4)Del**2(Rho)) -0.4074008E-02 Diamond 0.1175282E-03 Metallicity 0.4182265E+00 Ellipticity -0.3274718E+00 Gb(Abramov) 0.2999981E-02 Vb(Abramov) -0.1925955E-02 Hb(Abramov) 0.1074026E-02 Ex_ueg -0.4619084E-03 Ec_ueg -0.1022160E-03 Delta_ex -0.5721489E-03 Delta_ec 0.1509574E-03 Delta_et -0.9131969E-03 Pxc 0.4518943E+01 Qxc -0.3790136E+01 3,+3 135 3 -1 0.836892 2.927405 -1.958070 Rho 0.1395989E+00 |GRAD(Rho)| 0.1937571E-15 GRAD(Rho)x 0.1703553E-15 GRAD(Rho)y 0.2597342E-16 GRAD(Rho)z 0.8857932E-16 Laplacian 0.5580091E+00 (-1/4)Del**2(Rho)) -0.1395023E+00 Diamond 0.1040628E+01 Metallicity 0.4639185E+01 Ellipticity 0.3184863E-01 Gb(Abramov) 0.2008643E+00 Vb(Abramov) -0.2622264E+00 Hb(Abramov) -0.6136206E-01 Ex_ueg -0.5348446E-01 Ec_ueg -0.7781054E-02 Delta_ex -0.5891724E-01 Delta_ec 0.1447571E-01 Delta_et -0.1908359E+00 Pxc 0.6873678E+01 Qxc -0.4070077E+01 3,-1 136 3 +1 1.843023 -1.805581 -1.763260 Rho 0.1346117E-01 |GRAD(Rho)| 0.6804567E-17 GRAD(Rho)x -0.6344912E-17 GRAD(Rho)y 0.2072637E-17 GRAD(Rho)z -0.1322271E-17 Laplacian 0.6361730E-01 (-1/4)Del**2(Rho)) -0.1590433E-01 Diamond 0.2979213E-02 Metallicity 0.8251049E+00 Ellipticity -0.1359174E+01 Gb(Abramov) 0.1279001E-01 Vb(Abramov) -0.9675688E-02 Hb(Abramov) 0.3114319E-02 Ex_ueg -0.2364987E-02 Ec_ueg -0.5274349E-03 Delta_ex -0.3222389E-02 Delta_ec 0.8233512E-03 Delta_et -0.6350429E-02 Pxc 0.4483941E+01 Qxc -0.3913748E+01 3,+1 137 3 -1 1.593032 -1.759590 0.417719 Rho 0.3676565E-01 |GRAD(Rho)| 0.1831361E-15 GRAD(Rho)x -0.2499912E-16 GRAD(Rho)y -0.1213745E-15 GRAD(Rho)z 0.1348411E-15 Laplacian 0.1483569E+00 (-1/4)Del**2(Rho)) -0.3708923E-01 Diamond 0.5096432E-01 Metallicity 0.1888175E+01 Ellipticity 0.1852025E-01 Gb(Abramov) 0.3639799E-01 Vb(Abramov) -0.3570674E-01 Hb(Abramov) 0.6912478E-03 Ex_ueg -0.9029035E-02 Ec_ueg -0.1697584E-02 Delta_ex -0.1140609E-01 Delta_ec 0.4598121E-02 Delta_et -0.4467524E-01 Pxc 0.5318755E+01 Qxc -0.2480598E+01 3,-1 138 3 +3 1.809510 -1.831847 1.820534 Rho 0.1164041E-01 |GRAD(Rho)| 0.9446204E-17 GRAD(Rho)x -0.3710917E-17 GRAD(Rho)y 0.8385577E-17 GRAD(Rho)z 0.2267589E-17 Laplacian 0.5280575E-01 (-1/4)Del**2(Rho)) -0.1320144E-01 Diamond 0.1089132E-02 Metallicity 0.7802116E+00 Ellipticity -0.5611644E+00 Gb(Abramov) 0.1051761E-01 Vb(Abramov) -0.7833784E-02 Hb(Abramov) 0.2683827E-02 Ex_ueg -0.1948391E-02 Ec_ueg -0.4429946E-03 Delta_ex -0.2291922E-02 Delta_ec 0.1801633E-03 Delta_et -0.1735350E-02 Pxc 0.4398227E+01 Qxc -0.1272136E+02 3,+3 139 3 +1 1.661496 -0.573510 -0.540427 Rho 0.8035562E-02 |GRAD(Rho)| 0.1386333E-16 GRAD(Rho)x -0.1102847E-16 GRAD(Rho)y 0.4884463E-17 GRAD(Rho)z 0.6834219E-17 Laplacian 0.3321497E-01 (-1/4)Del**2(Rho)) -0.8303744E-02 Diamond 0.8560406E-03 Metallicity 0.6688155E+00 Ellipticity -0.1414594E+01 Gb(Abramov) 0.6461441E-02 Vb(Abramov) -0.4619139E-02 Hb(Abramov) 0.1842302E-02 Ex_ueg -0.1188703E-02 Ec_ueg -0.2797968E-03 Delta_ex -0.1514147E-02 Delta_ec 0.5076162E-03 Delta_et -0.3376031E-02 Pxc 0.4248452E+01 Qxc -0.2982858E+01 3,+1 140 3 +1 2.066946 -1.384556 0.999676 Rho 0.2205985E-01 |GRAD(Rho)| 0.3729380E-14 GRAD(Rho)x 0.1447826E-14 GRAD(Rho)y -0.2856395E-14 GRAD(Rho)z -0.1911304E-14 Laplacian 0.8564306E-01 (-1/4)Del**2(Rho)) -0.2141076E-01 Diamond 0.9510256E-02 Metallicity 0.1396128E+01 Ellipticity -0.3207061E+01 Gb(Abramov) 0.1925587E-01 Vb(Abramov) -0.1710098E-01 Hb(Abramov) 0.2154893E-02 Ex_ueg -0.4569358E-02 Ec_ueg -0.9418530E-03 Delta_ex -0.5162517E-02 Delta_ec 0.1471736E-02 Delta_et -0.1259027E-01 Pxc 0.4851455E+01 Qxc -0.3507774E+01 3,+1 141 3 -1 1.974947 -0.846159 2.981673 Rho 0.1307565E+00 |GRAD(Rho)| 0.5201212E-13 GRAD(Rho)x 0.1249300E-13 GRAD(Rho)y -0.5034181E-13 GRAD(Rho)z 0.3858438E-14 Laplacian 0.5136981E+00 (-1/4)Del**2(Rho)) -0.1284245E+00 Diamond 0.8789415E+00 Metallicity 0.4518668E+01 Ellipticity 0.3554007E-01 Gb(Abramov) 0.1823343E+00 Vb(Abramov) -0.2362441E+00 Hb(Abramov) -0.5390979E-01 Ex_ueg -0.4901578E-01 Ec_ueg -0.7223280E-02 Delta_ex -0.5330686E-01 Delta_ec 0.1339644E-01 Delta_et -0.1745344E+00 Pxc 0.6785806E+01 Qxc -0.3979182E+01 3,-1 142 3 -1 2.979376 1.982517 -0.798234 Rho 0.1434569E+00 |GRAD(Rho)| 0.1191644E-11 GRAD(Rho)x -0.4180475E-12 GRAD(Rho)y 0.7195290E-12 GRAD(Rho)z 0.8529532E-12 Laplacian 0.5731688E+00 (-1/4)Del**2(Rho)) -0.1432922E+00 Diamond 0.1106002E+01 Metallicity 0.4726427E+01 Ellipticity 0.2347435E-01 Gb(Abramov) 0.2084048E+00 Vb(Abramov) -0.2735175E+00 Hb(Abramov) -0.6511262E-01 Ex_ueg -0.5546431E-01 Ec_ueg -0.8025985E-02 Delta_ex -0.6093728E-01 Delta_ec 0.1479915E-01 Delta_et -0.1959607E+00 Pxc 0.6910592E+01 Qxc -0.4117621E+01 3,-1 143 3 -1 -2.811886 -1.775762 0.601696 Rho 0.1390361E+00 |GRAD(Rho)| 0.1833395E-15 GRAD(Rho)x -0.1442870E-15 GRAD(Rho)y -0.1117541E-15 GRAD(Rho)z 0.1748276E-16 Laplacian 0.5868425E+00 (-1/4)Del**2(Rho)) -0.1467106E+00 Diamond 0.1088490E+01 Metallicity 0.4381648E+01 Ellipticity 0.1005875E-01 Gb(Abramov) 0.2049461E+00 Vb(Abramov) -0.2631817E+00 Hb(Abramov) -0.5823552E-01 Ex_ueg -0.5319716E-01 Ec_ueg -0.7745403E-02 Delta_ex -0.6189404E-01 Delta_ec 0.1522661E-01 Delta_et -0.2005870E+00 Pxc 0.6868223E+01 Qxc -0.4064859E+01 3,-1 144 3 +1 -2.190442 -1.083687 -1.354186 Rho 0.2662184E-01 |GRAD(Rho)| 0.1545030E-16 GRAD(Rho)x 0.7216863E-17 GRAD(Rho)y -0.1504022E-17 GRAD(Rho)z 0.1357816E-16 Laplacian 0.1083401E+00 (-1/4)Del**2(Rho)) -0.2708502E-01 Diamond 0.1533676E-01 Metallicity 0.1509689E+01 Ellipticity -0.3240078E+01 Gb(Abramov) 0.2487167E-01 Vb(Abramov) -0.2265832E-01 Hb(Abramov) 0.2213349E-02 Ex_ueg -0.5870870E-02 Ec_ueg -0.1170713E-02 Delta_ex -0.6841095E-02 Delta_ec 0.1818126E-02 Delta_et -0.1630008E-01 Pxc 0.5014782E+01 Qxc -0.3762719E+01 3,+1 145 3 +1 -1.789921 -1.724742 1.809156 Rho 0.1252312E-01 |GRAD(Rho)| 0.1531209E-13 GRAD(Rho)x 0.1313383E-13 GRAD(Rho)y -0.5826217E-14 GRAD(Rho)z 0.5293181E-14 Laplacian 0.6306454E-01 (-1/4)Del**2(Rho)) -0.1576613E-01 Diamond 0.2648937E-02 Metallicity 0.7379308E+00 Ellipticity -0.1248405E+01 Gb(Abramov) 0.1244981E-01 Vb(Abramov) -0.9133484E-02 Hb(Abramov) 0.3316325E-02 Ex_ueg -0.2147840E-02 Ec_ueg -0.4837717E-03 Delta_ex -0.3126745E-02 Delta_ec 0.8037560E-03 Delta_et -0.6101051E-02 Pxc 0.4439780E+01 Qxc -0.3890167E+01 3,+1 146 3 -1 -2.973873 -0.949508 -2.051650 Rho 0.1234070E+00 |GRAD(Rho)| 0.1413864E-14 GRAD(Rho)x -0.1149803E-14 GRAD(Rho)y -0.6315139E-15 GRAD(Rho)z 0.5274034E-15 Laplacian 0.4729783E+00 (-1/4)Del**2(Rho)) -0.1182446E+00 Diamond 0.7652377E+00 Metallicity 0.4456612E+01 Ellipticity 0.3024421E-01 Gb(Abramov) 0.1666581E+00 Vb(Abramov) -0.2150716E+00 Hb(Abramov) -0.4841350E-01 Ex_ueg -0.4537723E-01 Ec_ueg -0.6763605E-02 Delta_ex -0.4853614E-01 Delta_ec 0.1274357E-01 Delta_et -0.1648672E+00 Pxc 0.6709031E+01 Qxc -0.3808678E+01 3,-1 147 3 -1 -2.767623 0.485411 -1.854447 Rho 0.6110889E-01 |GRAD(Rho)| 0.2711099E-13 GRAD(Rho)x 0.3278341E-14 GRAD(Rho)y -0.1742872E-13 GRAD(Rho)z -0.2050605E-13 Laplacian 0.2559504E+00 (-1/4)Del**2(Rho)) -0.6398761E-01 Diamond 0.1755726E+00 Metallicity 0.2552493E+01 Ellipticity 0.6858725E-02 Gb(Abramov) 0.6987973E-01 Vb(Abramov) -0.7577185E-01 Hb(Abramov) -0.5892122E-02 Ex_ueg -0.1777696E-01 Ec_ueg -0.3037556E-02 Delta_ex -0.2233716E-01 Delta_ec 0.7917155E-02 Delta_et -0.8804222E-01 Pxc 0.5852391E+01 Qxc -0.2821362E+01 3,-1 148 3 -1 -1.727519 1.668985 0.488430 Rho 0.3659849E-01 |GRAD(Rho)| 0.2271074E-13 GRAD(Rho)x -0.1192359E-13 GRAD(Rho)y 0.1760019E-13 GRAD(Rho)z -0.7989952E-14 Laplacian 0.1484612E+00 (-1/4)Del**2(Rho)) -0.3711530E-01 Diamond 0.5035026E-01 Metallicity 0.1872573E+01 Ellipticity 0.2136059E-01 Gb(Abramov) 0.3632706E-01 Vb(Abramov) -0.3553881E-01 Hb(Abramov) 0.7882459E-03 Ex_ueg -0.8974343E-02 Ec_ueg -0.1688725E-02 Delta_ex -0.1137953E-01 Delta_ec 0.4562392E-02 Delta_et -0.4427046E-01 Pxc 0.5314272E+01 Qxc -0.2494204E+01 3,-1 149 3 -1 -1.824015 2.777118 -0.573113 Rho 0.1243427E+00 |GRAD(Rho)| 0.4198327E-15 GRAD(Rho)x -0.3136597E-15 GRAD(Rho)y -0.9837441E-16 GRAD(Rho)z 0.2611504E-15 Laplacian 0.5134311E+00 (-1/4)Del**2(Rho)) -0.1283578E+00 Diamond 0.8272684E+00 Metallicity 0.4157493E+01 Ellipticity 0.6711696E-02 Gb(Abramov) 0.1745129E+00 Vb(Abramov) -0.2206681E+00 Hb(Abramov) -0.4615517E-01 Ex_ueg -0.4583657E-01 Ec_ueg -0.6821928E-02 Delta_ex -0.5264180E-01 Delta_ec 0.1355790E-01 Delta_et -0.1751993E+00 Pxc 0.6719006E+01 Qxc -0.3882739E+01 3,-1 150 3 -1 -1.994669 2.941541 0.832774 Rho 0.1050756E+00 |GRAD(Rho)| 0.1679710E-15 GRAD(Rho)x -0.1424980E-15 GRAD(Rho)y -0.6740349E-16 GRAD(Rho)z -0.5801159E-16 Laplacian 0.4180246E+00 (-1/4)Del**2(Rho)) -0.1045062E+00 Diamond 0.5465782E+00 Metallicity 0.3856983E+01 Ellipticity 0.1451331E-01 Gb(Abramov) 0.1368505E+00 Vb(Abramov) -0.1691949E+00 Hb(Abramov) -0.3234436E-01 Ex_ueg -0.3662021E-01 Ec_ueg -0.5633526E-02 Delta_ex -0.4112650E-01 Delta_ec 0.1137720E-01 Delta_et -0.1425004E+00 Pxc 0.6500407E+01 Qxc -0.3614817E+01 3,-1 151 3 -1 0.814114 -1.957605 2.996307 Rho 0.1441705E+00 |GRAD(Rho)| 0.3178719E-15 GRAD(Rho)x -0.2010382E-15 GRAD(Rho)y -0.2194019E-15 GRAD(Rho)z -0.1117541E-15 Laplacian 0.5760951E+00 (-1/4)Del**2(Rho)) -0.1440238E+00 Diamond 0.1116530E+01 Metallicity 0.4741469E+01 Ellipticity 0.3927327E-01 Gb(Abramov) 0.2098299E+00 Vb(Abramov) -0.2756360E+00 Hb(Abramov) -0.6580612E-01 Ex_ueg -0.5583247E-01 Ec_ueg -0.8071391E-02 Delta_ex -0.6130409E-01 Delta_ec 0.1482358E-01 Delta_et -0.1963566E+00 Pxc 0.6917329E+01 Qxc -0.4135580E+01 3,-1 152 3 -1 0.289863 0.320550 -0.371066 Rho 0.1973208E+00 |GRAD(Rho)| 0.2803761E-15 GRAD(Rho)x -0.1737291E-15 GRAD(Rho)y -0.1924122E-15 GRAD(Rho)z 0.1068010E-15 Laplacian 0.6642299E+00 (-1/4)Del**2(Rho)) -0.1660575E+00 Diamond 0.2082589E+01 Metallicity 0.6938244E+01 Ellipticity 0.2988964E-02 Gb(Abramov) 0.3027296E+00 Vb(Abramov) -0.4394016E+00 Hb(Abramov) -0.1366721E+00 Ex_ueg -0.8484292E-01 Ec_ueg -0.1153893E-01 Delta_ex -0.7785987E-01 Delta_ec 0.1830521E-01 Delta_et -0.2602078E+00 Pxc 0.7352758E+01 Qxc -0.4253426E+01 3,-1 153 3 -1 0.282073 -0.413103 0.347479 Rho 0.2000509E+00 |GRAD(Rho)| 0.1640804E-15 GRAD(Rho)x -0.9336112E-16 GRAD(Rho)y 0.8899751E-16 GRAD(Rho)z -0.1014176E-15 Laplacian 0.6926376E+00 (-1/4)Del**2(Rho)) -0.1731594E+00 Diamond 0.2202946E+01 Metallicity 0.6807815E+01 Ellipticity 0.2398839E-02 Gb(Abramov) 0.3119125E+00 Vb(Abramov) -0.4506656E+00 Hb(Abramov) -0.1387531E+00 Ex_ueg -0.8641164E-01 Ec_ueg -0.1172142E-01 Delta_ex -0.8143345E-01 Delta_ec 0.1896306E-01 Delta_et -0.2698723E+00 Pxc 0.7372115E+01 Qxc -0.4294319E+01 3,-1 154 3 -1 1.929682 -0.613226 -2.830443 Rho 0.1535367E+00 |GRAD(Rho)| 0.1518263E-13 GRAD(Rho)x 0.9854503E-14 GRAD(Rho)y 0.6253272E-14 GRAD(Rho)z 0.9710691E-14 Laplacian 0.5885773E+00 (-1/4)Del**2(Rho)) -0.1471443E+00 Diamond 0.1250278E+01 Metallicity 0.5154226E+01 Ellipticity 0.1134532E+00 Gb(Abramov) 0.2244987E+00 Vb(Abramov) -0.3018532E+00 Hb(Abramov) -0.7735441E-01 Ex_ueg -0.6072042E-01 Ec_ueg -0.8670299E-02 Delta_ex -0.6379991E-01 Delta_ec 0.1525514E-01 Delta_et -0.2046995E+00 Pxc 0.7003267E+01 Qxc -0.4182191E+01 3,-1 155 3 -1 3.095117 -3.254804 -0.130378 Rho 0.2294410E+00 |GRAD(Rho)| 0.4396906E-15 GRAD(Rho)x -0.4265793E-15 GRAD(Rho)y -0.5990217E-16 GRAD(Rho)z 0.8814564E-16 Laplacian 0.8267166E+00 (-1/4)Del**2(Rho)) -0.2066792E+00 Diamond 0.2780816E+01 Metallicity 0.7167618E+01 Ellipticity 0.1059264E-01 Gb(Abramov) 0.3846856E+00 Vb(Abramov) -0.5626921E+00 Hb(Abramov) -0.1780065E+00 Ex_ueg -0.1037400E+00 Ec_ueg -0.1371225E-01 Delta_ex -0.9878274E-01 Delta_ec 0.1861712E-01 Delta_et -0.2578810E+00 Pxc 0.7565499E+01 Qxc -0.5306016E+01 3,-1 156 3 -1 2.733130 -1.849527 -0.616313 Rho 0.1269816E+00 |GRAD(Rho)| 0.4658502E-15 GRAD(Rho)x 0.6833862E-16 GRAD(Rho)y 0.4102079E-15 GRAD(Rho)z -0.2099422E-15 Laplacian 0.5228204E+00 (-1/4)Del**2(Rho)) -0.1307051E+00 Diamond 0.8634510E+00 Metallicity 0.4228260E+01 Ellipticity 0.8992068E-02 Gb(Abramov) 0.1792459E+00 Vb(Abramov) -0.2277868E+00 Hb(Abramov) -0.4854083E-01 Ex_ueg -0.4713816E-01 Ec_ueg -0.6986725E-02 Delta_ex -0.5386969E-01 Delta_ec 0.1372661E-01 Delta_et -0.1779810E+00 Pxc 0.6746817E+01 Qxc -0.3924470E+01 3,-1 157 3 -1 3.007174 0.839904 -1.949969 Rho 0.1399784E+00 |GRAD(Rho)| 0.4931561E-15 GRAD(Rho)x 0.2117582E-16 GRAD(Rho)y -0.4498626E-15 GRAD(Rho)z -0.2009433E-15 Laplacian 0.5727126E+00 (-1/4)Del**2(Rho)) -0.1431781E+00 Diamond 0.1068939E+01 Metallicity 0.4540583E+01 Ellipticity 0.2762854E-01 Gb(Abramov) 0.2038041E+00 Vb(Abramov) -0.2644301E+00 Hb(Abramov) -0.6062599E-01 Ex_ueg -0.5367844E-01 Ec_ueg -0.7805108E-02 Delta_ex -0.6048127E-01 Delta_ec 0.1479667E-01 Delta_et -0.1950426E+00 Pxc 0.6877347E+01 Qxc -0.4087492E+01 3,-1 158 3 +3 -1.853270 1.845510 1.866501 Rho 0.1217131E-01 |GRAD(Rho)| 0.1256273E-16 GRAD(Rho)x -0.3367472E-17 GRAD(Rho)y -0.1001424E-16 GRAD(Rho)z -0.6796869E-17 Laplacian 0.5514608E-01 (-1/4)Del**2(Rho)) -0.1378652E-01 Diamond 0.1212478E-02 Metallicity 0.8047499E+00 Ellipticity -0.6275077E+00 Gb(Abramov) 0.1104013E-01 Vb(Abramov) -0.8293740E-02 Hb(Abramov) 0.2746390E-02 Ex_ueg -0.2067767E-02 Ec_ueg -0.4674832E-03 Delta_ex -0.2425749E-02 Delta_ec 0.1889494E-03 Delta_et -0.1823508E-02 Pxc 0.4423191E+01 Qxc -0.1283809E+02 3,+3 159 3 -1 -2.791778 -0.540826 1.846134 Rho 0.1432325E+00 |GRAD(Rho)| 0.1197564E-13 GRAD(Rho)x 0.2702150E-14 GRAD(Rho)y 0.7449228E-14 GRAD(Rho)z 0.8979051E-14 Laplacian 0.5995320E+00 (-1/4)Del**2(Rho)) -0.1498830E+00 Diamond 0.1152849E+01 Metallicity 0.4506817E+01 Ellipticity 0.1060543E-01 Gb(Abramov) 0.2125045E+00 Vb(Abramov) -0.2751261E+00 Hb(Abramov) -0.6262155E-01 Ex_ueg -0.5534865E-01 Ec_ueg -0.8011712E-02 Delta_ex -0.6369617E-01 Delta_ec 0.1545077E-01 Delta_et -0.2044665E+00 Pxc 0.6908467E+01 Qxc -0.4122525E+01 3,-1 160 3 -1 -3.203374 -0.035220 3.240976 Rho 0.2451953E+00 |GRAD(Rho)| 0.4011709E-14 GRAD(Rho)x 0.3005734E-14 GRAD(Rho)y 0.2599212E-14 GRAD(Rho)z 0.5508831E-15 Laplacian 0.8932942E+00 (-1/4)Del**2(Rho)) -0.2233236E+00 Diamond 0.3236178E+01 Metallicity 0.7409785E+01 Ellipticity 0.1230645E-02 Gb(Abramov) 0.4246789E+00 Vb(Abramov) -0.6260343E+00 Hb(Abramov) -0.2013554E+00 Ex_ueg -0.1133447E+00 Ec_ueg -0.1479899E-01 Delta_ex -0.1085050E+00 Delta_ec 0.1955585E-01 Delta_et -0.2708263E+00 Pxc 0.7658950E+01 Qxc -0.5548467E+01 3,-1 161 3 -1 -0.592652 -1.784362 2.812654 Rho 0.1404295E+00 |GRAD(Rho)| 0.8136437E-12 GRAD(Rho)x -0.5280926E-12 GRAD(Rho)y 0.5852117E-12 GRAD(Rho)z 0.2016472E-12 Laplacian 0.5867048E+00 (-1/4)Del**2(Rho)) -0.1466762E+00 Diamond 0.1102461E+01 Metallicity 0.4456128E+01 Ellipticity 0.9865972E-02 Gb(Abramov) 0.2067188E+00 Vb(Abramov) -0.2667614E+00 Hb(Abramov) -0.6004259E-01 Ex_ueg -0.5390922E-01 Ec_ueg -0.7833710E-02 Delta_ex -0.6204191E-01 Delta_ec 0.1520777E-01 Delta_et -0.2006872E+00 Pxc 0.6881697E+01 Qxc -0.4079620E+01 3,-1 162 3 -1 -0.075569 -3.175317 3.213573 Rho 0.2445509E+00 |GRAD(Rho)| 0.7283295E-15 GRAD(Rho)x 0.9790346E-16 GRAD(Rho)y 0.4359577E-15 GRAD(Rho)z -0.5751693E-15 Laplacian 0.8948339E+00 (-1/4)Del**2(Rho)) -0.2237085E+00 Diamond 0.3229020E+01 Metallicity 0.7364662E+01 Ellipticity 0.1818683E-02 Gb(Abramov) 0.4237285E+00 Vb(Abramov) -0.6237486E+00 Hb(Abramov) -0.2000201E+00 Ex_ueg -0.1129477E+00 Ec_ueg -0.1475427E-01 Delta_ex -0.1086042E+00 Delta_ec 0.1958202E-01 Delta_et -0.2710648E+00 Pxc 0.7655255E+01 Qxc -0.5546121E+01 3,-1 163 3 -1 -1.726934 -0.579108 -1.753907 Rho 0.4237381E-01 |GRAD(Rho)| 0.4211424E-16 GRAD(Rho)x -0.3921551E-17 GRAD(Rho)y 0.1021733E-17 GRAD(Rho)z -0.4191881E-16 Laplacian 0.1737074E+00 (-1/4)Del**2(Rho)) -0.4342685E-01 Diamond 0.7387410E-01 Metallicity 0.2043105E+01 Ellipticity 0.2318864E-01 Gb(Abramov) 0.4373883E-01 Vb(Abramov) -0.4405082E-01 Hb(Abramov) -0.3119839E-03 Ex_ueg -0.1091059E-01 Ec_ueg -0.1997879E-02 Delta_ex -0.1390941E-01 Delta_ec 0.5523381E-02 Delta_et -0.5580229E-01 Pxc 0.5461089E+01 Qxc -0.2518278E+01 3,-1 164 3 -1 1.747068 -2.868931 -0.654154 Rho 0.1987233E+00 |GRAD(Rho)| 0.4638193E-15 GRAD(Rho)x -0.2695869E-15 GRAD(Rho)y 0.1462318E-15 GRAD(Rho)z -0.3479476E-15 Laplacian 0.7666011E+00 (-1/4)Del**2(Rho)) -0.1916503E+00 Diamond 0.2141802E+01 Metallicity 0.6083102E+01 Ellipticity 0.9957518E-02 Gb(Abramov) 0.3220715E+00 Vb(Abramov) -0.4524928E+00 Hb(Abramov) -0.1304213E+00 Ex_ueg -0.8564792E-01 Ec_ueg -0.1163262E-01 Delta_ex -0.8808466E-01 Delta_ec 0.1763819E-01 Delta_et -0.2408655E+00 Pxc 0.7362734E+01 Qxc -0.4993973E+01 3,-1 165 3 +1 1.288058 1.028711 -2.095847 Rho 0.2490354E-01 |GRAD(Rho)| 0.4610912E-16 GRAD(Rho)x 0.1786319E-16 GRAD(Rho)y 0.8993441E-18 GRAD(Rho)z -0.4249881E-16 Laplacian 0.9834246E-01 (-1/4)Del**2(Rho)) -0.2458561E-01 Diamond 0.1337047E-01 Metallicity 0.1488129E+01 Ellipticity -0.4614654E+01 Gb(Abramov) 0.2248817E-01 Vb(Abramov) -0.2039072E-01 Hb(Abramov) 0.2097445E-02 Ex_ueg -0.5371140E-02 Ec_ueg -0.1083859E-02 Delta_ex -0.6173006E-02 Delta_ec 0.1781187E-02 Delta_et -0.1568163E-01 Pxc 0.4955572E+01 Qxc -0.3465670E+01 3,+1 166 3 -1 3.196118 3.217881 0.087667 Rho 0.2462377E+00 |GRAD(Rho)| 0.1069648E-15 GRAD(Rho)x -0.3133344E-16 GRAD(Rho)y -0.7958044E-16 GRAD(Rho)z -0.6423898E-16 Laplacian 0.8829303E+00 (-1/4)Del**2(Rho)) -0.2207326E+00 Diamond 0.3226812E+01 Metallicity 0.7549952E+01 Ellipticity 0.9682402E-03 Gb(Abramov) 0.4249085E+00 Vb(Abramov) -0.6290843E+00 Hb(Abramov) -0.2041759E+00 Ex_ueg -0.1139876E+00 Ec_ueg -0.1487137E-01 Delta_ex -0.1074261E+00 Delta_ec 0.1941275E-01 Delta_et -0.2693704E+00 Pxc 0.7664904E+01 Qxc -0.5533790E+01 3,-1 167 3 -1 -2.090224 -0.933254 -3.233422 Rho 0.2263691E+00 |GRAD(Rho)| 0.5548467E-15 GRAD(Rho)x 0.2753874E-15 GRAD(Rho)y -0.3813139E-15 GRAD(Rho)z -0.2943067E-15 Laplacian 0.8541197E+00 (-1/4)Del**2(Rho)) -0.2135299E+00 Diamond 0.2792253E+01 Metallicity 0.6783541E+01 Ellipticity 0.1790982E-01 Gb(Abramov) 0.3837681E+00 Vb(Abramov) -0.5540063E+00 Hb(Abramov) -0.1702382E+00 Ex_ueg -0.1018923E+00 Ec_ueg -0.1350194E-01 Delta_ex -0.1015022E+00 Delta_ec 0.1895445E-01 Delta_et -0.2609317E+00 Pxc 0.7546492E+01 Qxc -0.5355060E+01 3,-1 168 3 -1 -1.819442 -0.547845 2.825669 Rho 0.1427521E+00 |GRAD(Rho)| 0.4756464E-15 GRAD(Rho)x -0.4353614E-15 GRAD(Rho)y 0.1738247E-15 GRAD(Rho)z -0.8052912E-16 Laplacian 0.6017908E+00 (-1/4)Del**2(Rho)) -0.1504477E+00 Diamond 0.1149649E+01 Metallicity 0.4464829E+01 Ellipticity 0.1145763E-01 Gb(Abramov) 0.2122524E+00 Vb(Abramov) -0.2740570E+00 Hb(Abramov) -0.6180465E-01 Ex_ueg -0.5510126E-01 Ec_ueg -0.7981167E-02 Delta_ex -0.6385309E-01 Delta_ec 0.1546697E-01 Delta_et -0.2044621E+00 Pxc 0.6903910E+01 Qxc -0.4128353E+01 3,-1 169 3 -1 -0.839247 2.968116 1.996675 Rho 0.1609048E+00 |GRAD(Rho)| 0.5079567E-14 GRAD(Rho)x 0.3791076E-14 GRAD(Rho)y -0.1864218E-14 GRAD(Rho)z 0.2820362E-14 Laplacian 0.6340823E+00 (-1/4)Del**2(Rho)) -0.1585206E+00 Diamond 0.1396253E+01 Metallicity 0.5173082E+01 Ellipticity 0.4530535E-01 Gb(Abramov) 0.2423537E+00 Vb(Abramov) -0.3261868E+00 Hb(Abramov) -0.8383312E-01 Ex_ueg -0.6463640E-01 Ec_ueg -0.9145196E-02 Delta_ex -0.6926935E-01 Delta_ec 0.1577945E-01 Delta_et -0.2119539E+00 Pxc 0.7067799E+01 Qxc -0.4389845E+01 3,-1 170 3 -1 -2.990316 0.875535 2.040781 Rho 0.1514273E+00 |GRAD(Rho)| 0.4847121E-16 GRAD(Rho)x 0.1169583E-16 GRAD(Rho)y 0.4667490E-16 GRAD(Rho)z 0.5841139E-17 Laplacian 0.6040909E+00 (-1/4)Del**2(Rho)) -0.1510227E+00 Diamond 0.1237957E+01 Metallicity 0.4907397E+01 Ellipticity 0.5091179E-01 Gb(Abramov) 0.2242032E+00 Vb(Abramov) -0.2973838E+00 Hb(Abramov) -0.7318051E-01 Ex_ueg -0.5961067E-01 Ec_ueg -0.8534945E-02 Delta_ex -0.6502263E-01 Delta_ec 0.1528694E-01 Delta_et -0.2037563E+00 Pxc 0.6984306E+01 Qxc -0.4253476E+01 3,-1 171 3 -1 -0.614488 -2.756603 1.846315 Rho 0.1519434E+00 |GRAD(Rho)| 0.4270603E-13 GRAD(Rho)x -0.4096113E-13 GRAD(Rho)y 0.1146201E-13 GRAD(Rho)z 0.3822761E-14 Laplacian 0.6425401E+00 (-1/4)Del**2(Rho)) -0.1606350E+00 Diamond 0.1321466E+01 Metallicity 0.4639978E+01 Ellipticity 0.1967873E-01 Gb(Abramov) 0.2313138E+00 Vb(Abramov) -0.3019926E+00 Hb(Abramov) -0.7067882E-01 Ex_ueg -0.5988170E-01 Ec_ueg -0.8568034E-02 Delta_ex -0.6921252E-01 Delta_ec 0.1623433E-01 Delta_et -0.2164570E+00 Pxc 0.6988966E+01 Qxc -0.4263344E+01 3,-1 172 3 -1 -3.224205 3.170770 -0.076526 Rho 0.2303078E+00 |GRAD(Rho)| 0.1870322E-13 GRAD(Rho)x 0.1255468E-13 GRAD(Rho)y -0.1354353E-13 GRAD(Rho)z 0.2960265E-14 Laplacian 0.8250345E+00 (-1/4)Del**2(Rho)) -0.2062586E+00 Diamond 0.2788385E+01 Metallicity 0.7227510E+01 Ellipticity 0.9942083E-02 Gb(Abramov) 0.3859618E+00 Vb(Abramov) -0.5656649E+00 Hb(Abramov) -0.1797032E+00 Ex_ueg -0.1042629E+00 Ec_ueg -0.1377169E-01 Delta_ex -0.9868173E-01 Delta_ec 0.1856507E-01 Delta_et -0.2572318E+00 Pxc 0.7570814E+01 Qxc -0.5315453E+01 3,-1 173 3 -1 2.015936 0.818350 -2.965021 Rho 0.1479125E+00 |GRAD(Rho)| 0.3294316E-15 GRAD(Rho)x -0.1009121E-15 GRAD(Rho)y 0.3036715E-15 GRAD(Rho)z -0.7826584E-16 Laplacian 0.5864629E+00 (-1/4)Del**2(Rho)) -0.1466157E+00 Diamond 0.1174792E+01 Metallicity 0.4860871E+01 Ellipticity 0.3206613E-01 Gb(Abramov) 0.2165238E+00 Vb(Abramov) -0.2864319E+00 Hb(Abramov) -0.6990811E-01 Ex_ueg -0.5777300E-01 Ec_ueg -0.8310018E-02 Delta_ex -0.6282674E-01 Delta_ec 0.1504337E-01 Delta_et -0.2001159E+00 Pxc 0.6952211E+01 Qxc -0.4176375E+01 3,-1 174 3 -1 2.805928 0.567669 1.818958 Rho 0.1241544E+00 |GRAD(Rho)| 0.7958565E-16 GRAD(Rho)x 0.6730524E-16 GRAD(Rho)y 0.4105060E-16 GRAD(Rho)z 0.1089623E-16 Laplacian 0.5202847E+00 (-1/4)Del**2(Rho)) -0.1300712E+00 Diamond 0.8357251E+00 Metallicity 0.4092377E+01 Ellipticity 0.1383151E-01 Gb(Abramov) 0.1754308E+00 Vb(Abramov) -0.2207904E+00 Hb(Abramov) -0.4535964E-01 Ex_ueg -0.4574404E-01 Ec_ueg -0.6810185E-02 Delta_ex -0.5331152E-01 Delta_ec 0.1371954E-01 Delta_et -0.1772006E+00 Pxc 0.6717003E+01 Qxc -0.3885808E+01 3,-1 175 3 -1 -1.976813 0.860254 3.028597 Rho 0.1439698E+00 |GRAD(Rho)| 0.2984410E-11 GRAD(Rho)x -0.2132896E-11 GRAD(Rho)y -0.1667230E-11 GRAD(Rho)z 0.1256105E-11 Laplacian 0.5714692E+00 (-1/4)Del**2(Rho)) -0.1428673E+00 Diamond 0.1105421E+01 Metallicity 0.4768768E+01 Ellipticity 0.3596425E-01 Gb(Abramov) 0.2087951E+00 Vb(Abramov) -0.2747228E+00 Hb(Abramov) -0.6592774E-01 Ex_ueg -0.5572890E-01 Ec_ueg -0.8058622E-02 Delta_ex -0.6078809E-01 Delta_ec 0.1470408E-01 Delta_et -0.1947220E+00 Pxc 0.6915438E+01 Qxc -0.4134096E+01 3,-1 176 3 -1 -3.206915 0.006430 -3.209778 Rho 0.2258665E+00 |GRAD(Rho)| 0.4468964E-15 GRAD(Rho)x -0.2639490E-15 GRAD(Rho)y 0.1872688E-15 GRAD(Rho)z -0.3081845E-15 Laplacian 0.8249329E+00 (-1/4)Del**2(Rho)) -0.2062332E+00 Diamond 0.2717858E+01 Metallicity 0.6997575E+01 Ellipticity 0.1939915E-01 Gb(Abramov) 0.3780109E+00 Vb(Abramov) -0.5497886E+00 Hb(Abramov) -0.1717777E+00 Ex_ueg -0.1015907E+00 Ec_ueg -0.1346758E-01 Delta_ex -0.9813999E-01 Delta_ec 0.1860941E-01 Delta_et -0.2573597E+00 Pxc 0.7543356E+01 Qxc -0.5273675E+01 3,-1 177 3 -1 1.822105 0.543027 2.748354 Rho 0.1192832E+00 |GRAD(Rho)| 0.8751152E-16 GRAD(Rho)x -0.6884684E-17 GRAD(Rho)y 0.4689174E-16 GRAD(Rho)z 0.7356651E-16 Laplacian 0.4989010E+00 (-1/4)Del**2(Rho)) -0.1247253E+00 Diamond 0.7595886E+00 Metallicity 0.3992371E+01 Ellipticity 0.7508810E-02 Gb(Abramov) 0.1661418E+00 Vb(Abramov) -0.2075582E+00 Hb(Abramov) -0.4141649E-01 Ex_ueg -0.4336680E-01 Ec_ueg -0.6507293E-02 Delta_ex -0.5057713E-01 Delta_ec 0.1318021E-01 Delta_et -0.1689111E+00 Pxc 0.6664339E+01 Qxc -0.3837353E+01 3,-1 178 3 -1 1.128336 -1.760607 -2.624051 Rho 0.3139865E+00 |GRAD(Rho)| 0.1499777E-12 GRAD(Rho)x 0.9552325E-13 GRAD(Rho)y 0.5653816E-13 GRAD(Rho)z -0.1008566E-12 Laplacian -0.1592043E+01 (-1/4)Del**2(Rho)) 0.3980108E+00 Diamond 0.5493176E+01 Metallicity -0.6278316E+01 Ellipticity 0.3772663E-02 Gb(Abramov) 0.1511324E+00 Vb(Abramov) -0.7002757E+00 Hb(Abramov) -0.5491433E+00 Ex_ueg -0.1576158E+00 Ec_ueg -0.1970379E-01 Delta_ex 0.1571599E+00 Delta_ec 0.5590871E-01 Delta_et -0.1315537E+01 Pxc 0.7999262E+01 Qxc 0.2811009E+01 3,-1 179 3 -1 -0.844013 1.977145 3.012782 Rho 0.1402413E+00 |GRAD(Rho)| 0.4660481E-15 GRAD(Rho)x -0.2884926E-15 GRAD(Rho)y -0.1788256E-15 GRAD(Rho)z 0.3193653E-15 Laplacian 0.5571616E+00 (-1/4)Del**2(Rho)) -0.1392904E+00 Diamond 0.1046805E+01 Metallicity 0.4681934E+01 Ellipticity 0.3331801E-01 Gb(Abramov) 0.2015517E+00 Vb(Abramov) -0.2638130E+00 Hb(Abramov) -0.6226128E-01 Ex_ueg -0.5381290E-01 Ec_ueg -0.7821775E-02 Delta_ex -0.5891542E-01 Delta_ec 0.1447672E-01 Delta_et -0.1910637E+00 Pxc 0.6879883E+01 Qxc -0.4069666E+01 3,-1 180 3 -1 -0.589539 1.761511 -2.748246 Rho 0.1531875E+00 |GRAD(Rho)| 0.2265562E-15 GRAD(Rho)x -0.3900417E-16 GRAD(Rho)y -0.1833115E-15 GRAD(Rho)z -0.1272921E-15 Laplacian 0.6550632E+00 (-1/4)Del**2(Rho)) -0.1637658E+00 Diamond 0.1356683E+01 Metallicity 0.4613554E+01 Ellipticity 0.1703309E-01 Gb(Abramov) 0.2351009E+00 Vb(Abramov) -0.3064361E+00 Hb(Abramov) -0.7133512E-01 Ex_ueg -0.6053635E-01 Ec_ueg -0.8647873E-02 Delta_ex -0.7066663E-01 Delta_ec 0.1645137E-01 Delta_et -0.2194378E+00 Pxc 0.7000144E+01 Qxc -0.4295485E+01 3,-1 181 3 -1 -0.816416 -3.436031 -1.308812 Rho 0.3182041E+00 |GRAD(Rho)| 0.4424958E-12 GRAD(Rho)x -0.3496159E-12 GRAD(Rho)y -0.2332472E-12 GRAD(Rho)z -0.1384449E-12 Laplacian -0.1654890E+01 (-1/4)Del**2(Rho)) 0.4137226E+00 Diamond 0.5702366E+01 Metallicity -0.6175709E+01 Ellipticity 0.2101815E-02 Gb(Abramov) 0.1500233E+00 Vb(Abramov) -0.7137692E+00 Hb(Abramov) -0.5637459E+00 Ex_ueg -0.1604449E+00 Ec_ueg -0.2001302E-01 Delta_ex 0.1645893E+00 Delta_ec 0.5746209E-01 Delta_et -0.1361871E+01 Pxc 0.8017029E+01 Qxc 0.2864311E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 129 161 171 151 96 162 153 79 152 127 132 180 88 131 135 92 94 87 91 179 169 93 137 156 164 116 130 155 104 111 106 142 109 166 148 60 149 63 150 172 122 143 69 57 123 55 163 147 124 146 167 176 125 159 168 170 175 160 118 174 177 114 141 121 119 117 154 157 173 120 74 98 66 178 97 128 181 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 52 52 53 53 2.418734 1.939315 1.907168 1.938002 1.937074 1.736411 1.563323 1.546633 1.569521 1.571316 2.414931 1.901853 1.911042 1.973242 1.950680 1.735685 2.447970 1.916966 1.954954 1.948687 1.897405 1.737667 2.480038 1.956098 1.788857 2.129373 1.968639 1.734184 2.546193 1.905216 1.909874 1.939558 1.943602 1.734153 2.483618 1.801076 1.963808 1.985807 2.044564 1.732777 2.388270 1.941799 1.968608 1.910439 1.927586 1.734589 2.409300 2.254715 1.966548 1.977859 1.738503 1.740052 2.443277 1.931538 1.932112 1.919145 1.938853 1.735476 2.542859 1.962797 1.981519 1.851566 1.953463 1.727835 2.527504 1.924895 1.919638 1.947248 1.928179 1.735573 3.275364 3.110344 3.144794 0.999640 1.728038 1.794032 0.997243 2.419907 1.939725 1.907616 1.938590 1.937706 1.736414 1.563361 1.546728 1.569559 1.571344 2.416091 1.902236 1.911530 1.973872 1.951302 1.735687 2.449141 1.917483 1.955310 1.949221 1.897926 1.737673 2.481127 1.956594 1.789029 2.130154 1.969433 1.734211 2.547206 1.905642 1.910327 1.940119 1.944187 1.734154 2.484574 1.801487 1.964280 1.986574 2.045389 1.732802 2.389828 1.942239 1.969043 1.911070 1.928956 1.734594 2.411100 2.255254 1.967085 1.978633 1.738535 1.740085 2.444373 1.931946 1.932531 1.919727 1.939424 1.735478 2.543838 1.963370 1.982156 1.852157 1.954179 1.727849 2.528441 1.925450 1.920931 1.947810 1.928737 1.735575 3.336619 3.112456 3.148270 0.999742 1.734946 1.795470 0.997366 27 25 23 23 24 21 21 23 21 22 27 23 23 25 26 20 27 27 23 23 23 24 29 23 22 27 24 22 32 23 28 23 23 20 29 22 25 26 26 22 27 23 27 23 25 20 27 26 24 23 22 22 27 23 23 23 23 20 29 23 23 22 25 23 29 25 23 23 23 21 37 33 33 20 26 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P W W Mo W Mo W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4628 2.2917 2.4810 2.4705 2.2819 2.4830 2.3419 2.4660 2.2637 2.4649 2.3204 2.4640 -1.0425 -0.9915 -1.0478 -1.0521 -0.9561 -0.9454 -0.8530 -0.9309 -0.7673 -0.9344 -0.9452 -0.9563 -0.9349 -0.9611 -0.9574 -0.8348 -0.8852 -0.9542 -0.9680 -0.9382 -0.9327 -0.9666 -0.9646 -0.7012 -0.7824 -0.9410 -0.9432 -0.9680 -0.7814 -0.7824 -0.7777 -0.7884 -0.7242 -0.7797 -0.7250 -0.7744 -0.7332 -0.7807 -0.7133 0.2988 0.3258 2.0933 2.5076 2.0883 2.0875 1.9699 2.0850 1.9446 2.1116 1.9918 2.0911 1.9528 2.0959 1.8956 1.8993 1.8947 1.8935 1.9329 1.9356 1.9591 1.9358 1.8782 1.9359 1.9357 1.9329 1.9364 1.9322 1.9336 1.9716 1.9532 1.9442 1.9416 1.9447 1.9452 1.9431 1.9434 1.9761 1.8788 1.9448 1.9458 1.9425 1.9678 1.9667 1.9680 1.9661 1.9755 1.9685 1.9756 1.9679 1.9728 1.9677 1.9777 0.5441 0.5270 6.1002 7.3737 6.0919 6.0945 6.0962 6.0921 6.0706 6.1044 6.0801 6.0993 6.0838 6.1036 5.1072 5.0534 5.1144 5.1190 4.9934 4.9816 4.8658 4.9665 4.8573 4.9718 4.9817 4.9933 4.9699 4.9983 4.9932 4.8323 4.9047 4.9795 4.9942 4.9633 4.9572 4.9920 4.9884 4.6927 4.8726 4.9675 4.9678 4.9934 4.7776 4.7798 4.7735 4.7865 4.7160 4.7749 4.7165 4.7703 4.7287 4.7768 4.7019 0.1571 0.1473 3.3141 0.8270 3.3094 3.3180 3.6520 3.3105 3.6428 3.2886 3.6644 3.3152 3.6430 3.3074 0.0397 0.0388 0.0387 0.0396 0.0299 0.0282 0.0281 0.0286 0.0318 0.0268 0.0278 0.0301 0.0286 0.0306 0.0306 0.0309 0.0273 0.0306 0.0321 0.0302 0.0302 0.0315 0.0328 0.0325 0.0311 0.0286 0.0296 0.0321 0.0361 0.0360 0.0362 0.0358 0.0327 0.0364 0.0328 0.0362 0.0318 0.0362 0.0337 0.0000 0.0000 14.0296 0.0000 14.0295 14.0295 0.0000 14.0294 0.0000 14.0293 0.0000 14.0295 0.0000 14.0290 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P W W Mo W Mo W Mo W Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.519673 2.004446 2.521121 2.514489 3.156112 2.515261 3.166639 2.536822 3.156325 2.516888 3.177880 2.516121 -1.092562 -1.022637 -1.032692 -1.070003 -0.953874 -1.071892 -1.125767 -1.065397 -0.611770 -1.068864 -1.063827 -0.956143 -1.067811 -0.954631 -0.954009 -0.908798 -1.141911 -1.049939 -0.946123 -1.048834 -1.054682 -0.938721 -0.942894 -0.971746 -0.601194 -1.041226 -1.053924 -0.943257 -0.811312 -0.818101 -0.808225 -0.821249 -0.997539 -0.809692 -0.997515 -0.803125 -1.002728 -0.811217 -0.983320 0.052466 0.064910 1.945442 1.567246 1.956608 1.948785 2.338150 1.946713 2.362895 1.962793 2.355150 1.944041 2.367918 1.950859 -0.840686 -0.783243 -0.756972 -0.801501 -0.706702 -0.822492 -0.900591 -0.819114 -0.743003 -0.819390 -0.809362 -0.714119 -0.820342 -0.710823 -0.718332 -0.723556 -0.939620 -0.840428 -0.754433 -0.854528 -0.852901 -0.748308 -0.765514 -0.757233 -0.762387 -0.867990 -0.853709 -0.761419 -0.703252 -0.703296 -0.701713 -0.715094 -0.769850 -0.704409 -0.770505 -0.687110 -0.785860 -0.705281 -0.754610 0.294948 0.308129 2.049295 1.536118 2.058508 2.051695 2.420742 2.049700 2.443488 2.067018 2.440727 2.045694 2.457370 2.049568 -0.862346 -0.841080 -0.812840 -0.845135 -0.792678 -0.902335 -0.939679 -0.893776 -0.781289 -0.901554 -0.903093 -0.786341 -0.890489 -0.819745 -0.794039 -0.820301 -0.969061 -0.878972 -0.799313 -0.897061 -0.893721 -0.799617 -0.801569 -0.745503 -0.783771 -0.907620 -0.912723 -0.800120 -0.661300 -0.685156 -0.668617 -0.680246 -0.732173 -0.670055 -0.733172 -0.667524 -0.775312 -0.668351 -0.716814 0.380653 0.383918 2.11250410 -2.46647218 -1.45134992 3.55704585 -9.59667388 -2.71216708 -0.46427398 8.26170552 10.33438263 1.33496836 -371.6293 403.9908 -76.7498 -379.4521 -29.4778 -453.3182 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:55 Nodes: 1 Procs: 1 0 May03-2024 03:36:55 Nodes: 1 Procs: 1 May03-2024 03:36:56 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May03-2024 03:36:57 Nodes: 1 Procs: 1 May03-2024 03:36:57 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May03-2024 03:36:58 Nodes: 1 Procs: 1 May03-2024 03:36:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May03-2024 03:36:59 Nodes: 1 Procs: 1 May03-2024 03:37:00 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May03-2024 03:37:02 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -15.99096554 -16.44381918 -16.14153161 -16.45850477 -16.59110747 -16.61998478 -16.63457503 -16.63695387 -16.64366588 -16.64643222 -16.64953489 -16.65158124 -16.65174352 -16.65602179 -16.65592419 -16.65745190 -16.65795534 -16.65833480 -16.65901126 -16.65904200 -16.65909317 -16.65910985 -16.65913849 GEOMETRY CONVERGED