ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.41 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 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.02 0.65 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 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:25 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 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Mar21-2024 05:18:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.52 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 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Mar21-2024 05:18:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:27 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) 1.29 0.07 1.41 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 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Mar21-2024 05:18:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Mar21-2024 05:18:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar21-2024 05:18:30 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2141.6133609999983 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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 Mar21-2024 05:18:28 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar21-2024 05:18:27 1 1 Oxygen TZP 1s t21.Mo ADF 2019 Mar21-2024 05:18:26 1 1 Molybdenum TZP 3d t21.P ADF 2019 Mar21-2024 05:18:25 1 1 Phosphorus TZP 1s t21.H ADF 2019 Mar21-2024 05:18:24 1 1 Hydrogen TZP 1 1 -14.06577309 0.24823001 0.00100000 F 0.10106923 0.00066667 F 0.24823001 0.10106923 0.25294447 0.01000000 F 0.05584777 0.00666667 F Cartesian 2141.6133609999983 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-1.711659 -0.232526 2.881435 Rho 0.3187428E+03 3,-3 19 3 -3 2.870922 1.252716 -1.266251 Rho 0.3188617E+03 3,-3 20 3 -3 -2.153326 2.247038 -1.768538 Rho 0.3187133E+03 3,-3 21 3 -3 3.360366 -0.930597 0.022968 Rho 0.3188735E+03 3,-3 22 3 -3 -2.284477 2.443802 1.660966 Rho 0.3194091E+03 3,-3 23 3 -3 0.948951 -3.287119 0.056742 Rho 0.3188113E+03 3,-3 24 3 -3 0.055783 1.782712 2.932610 Rho 0.3189008E+03 3,-3 25 3 -3 -1.320326 -3.158760 -1.474412 Rho 0.3192584E+03 3,-3 26 3 -3 2.915358 1.298316 1.358902 Rho 0.3188693E+03 3,-3 27 3 -3 -1.822412 -0.073190 -3.089090 Rho 0.3191725E+03 3,-3 28 3 -3 1.995294 -0.077462 -3.433551 Rho 0.3189619E+03 3,-3 29 3 -3 -0.737637 4.488597 -2.853289 Rho 0.3192495E+03 3,-3 30 3 -3 1.437787 3.477057 -1.392136 Rho 0.3189267E+03 3,-3 31 3 -3 0.231168 -2.003944 3.545491 Rho 0.3189106E+03 3,-3 32 3 -3 2.408819 -2.338567 -2.031251 Rho 0.3189819E+03 3,-3 33 3 -3 -0.884870 3.957177 -0.098374 Rho 0.3189699E+03 3,-3 34 3 -3 2.460708 -2.356546 2.165600 Rho 0.3189981E+03 3,-3 35 3 -3 0.835234 -4.668555 2.574950 Rho 0.3192133E+03 3,-3 36 3 -3 2.004022 -0.027671 3.449966 Rho 0.3189304E+03 3,-3 37 3 -3 0.147234 -2.016358 -3.465977 Rho 0.3188874E+03 3,-3 38 3 -3 1.389099 3.544357 1.272882 Rho 0.3190211E+03 3,-3 39 3 -3 0.786376 -4.629815 -2.472964 Rho 0.3192090E+03 3,-3 40 3 -3 4.613392 -0.639575 -2.560691 Rho 0.3192314E+03 3,-3 41 3 -3 -0.841946 4.515112 2.765783 Rho 0.3193427E+03 3,-3 42 3 -3 4.648036 -0.647720 2.532658 Rho 0.3192425E+03 3,-3 43 3 -3 -0.665987 3.112220 1.728512 Rho 0.1240649E+06 3,-3 44 3 -3 -0.168532 -0.017371 0.051188 Rho 0.2439622E+04 3,-3 45 3 -3 -1.786842 -0.256784 1.857304 Rho 0.4092094E+00 3,-3 46 3 -3 -2.105295 1.324557 -2.168424 Rho 0.4337173E+00 3,-3 47 3 -1 -1.995197 0.869270 -2.482679 Rho 0.4568333E-01 |GRAD(Rho)| 0.1192662E-15 GRAD(Rho)x -0.3194028E-16 GRAD(Rho)y 0.1057312E-15 GRAD(Rho)z 0.4500163E-16 Laplacian 0.1249016E+00 (-1/4)Del**2(Rho)) -0.3122541E-01 Diamond 0.8603226E-01 Metallicity 0.3220880E+01 Ellipticity 0.1120839E-01 Gb(Abramov) 0.3757915E-01 Vb(Abramov) -0.4393290E-01 Hb(Abramov) -0.6353747E-02 Ex_ueg -0.1206133E-01 Ec_ueg -0.2177691E-02 Delta_ex -0.1151050E-01 Delta_ec 0.6330525E-02 Delta_et -0.6573764E-01 Pxc 0.5538588E+01 Qxc -0.1818254E+01 3,-1 48 3 +1 -1.677973 0.397032 -1.361044 Rho 0.4630498E-02 |GRAD(Rho)| 0.1071807E-15 GRAD(Rho)x -0.1311885E-16 GRAD(Rho)y 0.6938894E-16 GRAD(Rho)z -0.8062737E-16 Laplacian 0.1740259E-01 (-1/4)Del**2(Rho)) -0.4350647E-02 Diamond 0.2738294E-03 Metallicity 0.5093842E+00 Ellipticity -0.1581213E+01 Gb(Abramov) 0.3269790E-02 Vb(Abramov) -0.2188933E-02 Hb(Abramov) 0.1080857E-02 Ex_ueg -0.5700182E-03 Ec_ueg -0.1310465E-03 Delta_ex -0.7577354E-03 Delta_ec 0.3786358E-03 Delta_et -0.2078407E-02 Pxc 0.4349741E+01 Qxc -0.2001225E+01 3,+1 49 3 -1 -1.714159 0.991284 -0.823118 Rho 0.5972974E-02 |GRAD(Rho)| 0.6197110E-16 GRAD(Rho)x -0.7372575E-17 GRAD(Rho)y 0.5044251E-16 GRAD(Rho)z -0.3523657E-16 Laplacian 0.2303800E-01 (-1/4)Del**2(Rho)) -0.5759500E-02 Diamond 0.7593418E-03 Metallicity 0.5881473E+00 Ellipticity 0.1342100E+01 Gb(Abramov) 0.4404239E-02 Vb(Abramov) -0.3048978E-02 Hb(Abramov) 0.1355261E-02 Ex_ueg -0.8003979E-03 Ec_ueg -0.1890212E-03 Delta_ex -0.1242310E-02 Delta_ec 0.8260778E-03 Delta_et -0.4692183E-02 Pxc 0.4234435E+01 Qxc -0.1503866E+01 3,-1 50 3 -1 -1.855895 1.104415 1.016778 Rho 0.7130634E-02 |GRAD(Rho)| 0.1949579E-16 GRAD(Rho)x -0.6078121E-17 GRAD(Rho)y 0.1494644E-16 GRAD(Rho)z 0.1094286E-16 Laplacian 0.2772856E-01 (-1/4)Del**2(Rho)) -0.6932140E-02 Diamond 0.1255064E-02 Metallicity 0.6564969E+00 Ellipticity 0.1633108E+00 Gb(Abramov) 0.5379915E-02 Vb(Abramov) -0.3827690E-02 Hb(Abramov) 0.1552225E-02 Ex_ueg -0.1013653E-02 Ec_ueg -0.2397243E-03 Delta_ex -0.1601937E-02 Delta_ec 0.1092518E-02 Delta_et -0.6514451E-02 Pxc 0.4228411E+01 Qxc -0.1466280E+01 3,-1 51 3 +1 -1.877766 0.919082 1.479602 Rho 0.6468780E-02 |GRAD(Rho)| 0.7661810E-17 GRAD(Rho)x 0.2604229E-18 GRAD(Rho)y -0.7578946E-17 GRAD(Rho)z -0.1093202E-17 Laplacian 0.2549374E-01 (-1/4)Del**2(Rho)) -0.6373435E-02 Diamond 0.6544246E-03 Metallicity 0.6070394E+00 Ellipticity -0.1862384E+01 Gb(Abramov) 0.4893778E-02 Vb(Abramov) -0.3414121E-02 Hb(Abramov) 0.1479657E-02 Ex_ueg -0.8901876E-03 Ec_ueg -0.2106579E-03 Delta_ex -0.1210672E-02 Delta_ec 0.5836831E-03 Delta_et -0.3509368E-02 Pxc 0.4225751E+01 Qxc -0.2074194E+01 3,+1 52 3 -1 -1.941247 1.115119 2.231479 Rho 0.8614062E-02 |GRAD(Rho)| 0.3910455E-17 GRAD(Rho)x -0.5501034E-18 GRAD(Rho)y 0.3670118E-17 GRAD(Rho)z 0.1232592E-17 Laplacian 0.3427995E-01 (-1/4)Del**2(Rho)) -0.8569987E-02 Diamond 0.2049310E-02 Metallicity 0.7276452E+00 Ellipticity 0.1318171E+00 Gb(Abramov) 0.6752643E-02 Vb(Abramov) -0.4935299E-02 Hb(Abramov) 0.1817344E-02 Ex_ueg -0.1304155E-02 Ec_ueg -0.3056093E-03 Delta_ex -0.2074689E-02 Delta_ec 0.1389364E-02 Delta_et -0.8763732E-02 Pxc 0.4267391E+01 Qxc -0.1493266E+01 3,-1 53 3 +1 -1.359442 -1.484733 1.568713 Rho 0.4952610E-02 |GRAD(Rho)| 0.1221276E-14 GRAD(Rho)x 0.3424309E-15 GRAD(Rho)y 0.1001769E-14 GRAD(Rho)z -0.6088645E-15 Laplacian 0.1939746E-01 (-1/4)Del**2(Rho)) -0.4849365E-02 Diamond 0.3094820E-03 Metallicity 0.5112012E+00 Ellipticity -0.1365719E+01 Gb(Abramov) 0.3646077E-02 Vb(Abramov) -0.2442789E-02 Hb(Abramov) 0.1203288E-02 Ex_ueg -0.6234915E-03 Ec_ueg -0.1448740E-03 Delta_ex -0.8337071E-03 Delta_ec 0.3805890E-03 Delta_et -0.2154190E-02 Pxc 0.4303682E+01 Qxc -0.2190570E+01 3,+1 54 3 +1 1.412442 -1.427483 -2.842026 Rho 0.1212307E-01 |GRAD(Rho)| 0.3203125E-17 GRAD(Rho)x 0.1559836E-17 GRAD(Rho)y 0.1101044E-17 GRAD(Rho)z -0.2571891E-17 Laplacian 0.5623788E-01 (-1/4)Del**2(Rho)) -0.1405947E-01 Diamond 0.2002533E-02 Metallicity 0.7839203E+00 Ellipticity -0.1219728E+01 Gb(Abramov) 0.1120990E-01 Vb(Abramov) -0.8360325E-02 Hb(Abramov) 0.2849573E-02 Ex_ueg -0.2056846E-02 Ec_ueg -0.4652533E-03 Delta_ex -0.2691207E-02 Delta_ec 0.5860882E-03 Delta_et -0.4515623E-02 Pxc 0.4420917E+01 Qxc -0.4591813E+01 3,+1 55 3 -1 -1.286392 -1.687208 0.994492 Rho 0.5795911E-02 |GRAD(Rho)| 0.1063014E-15 GRAD(Rho)x -0.7447285E-16 GRAD(Rho)y 0.6317766E-16 GRAD(Rho)z -0.4198046E-16 Laplacian 0.2183239E-01 (-1/4)Del**2(Rho)) -0.5458096E-02 Diamond 0.7192588E-03 Metallicity 0.5902666E+00 Ellipticity 0.7770689E+00 Gb(Abramov) 0.4175686E-02 Vb(Abramov) -0.2893276E-02 Hb(Abramov) 0.1282410E-02 Ex_ueg -0.7689192E-03 Ec_ueg -0.1813233E-03 Delta_ex -0.1192127E-02 Delta_ec 0.8212255E-03 Delta_et -0.4608891E-02 Pxc 0.4240598E+01 Qxc -0.1451644E+01 3,-1 56 3 -1 -1.716515 -0.252997 1.351000 Rho 0.5846393E-01 |GRAD(Rho)| 0.1794224E-14 GRAD(Rho)x 0.1767474E-14 GRAD(Rho)y -0.3086661E-15 GRAD(Rho)z 0.1220158E-17 Laplacian 0.1291154E+00 (-1/4)Del**2(Rho)) -0.3227884E-01 Diamond 0.1383071E+00 Metallicity 0.4700188E+01 Ellipticity 0.1577678E-01 Gb(Abramov) 0.4680533E-01 Vb(Abramov) -0.6133182E-01 Hb(Abramov) -0.1452649E-01 Ex_ueg -0.1675852E-01 Ec_ueg -0.2887809E-02 Delta_ex -0.1306368E-01 Delta_ec 0.7425077E-02 Delta_et -0.8305803E-01 Pxc 0.5803197E+01 Qxc -0.1759399E+01 3,-1 57 3 +1 -1.030809 -1.641147 1.024833 Rho 0.5716335E-02 |GRAD(Rho)| 0.1239465E-16 GRAD(Rho)x 0.9042906E-17 GRAD(Rho)y -0.5828794E-17 GRAD(Rho)z 0.6154545E-17 Laplacian 0.2197064E-01 (-1/4)Del**2(Rho)) -0.5492660E-02 Diamond 0.5222535E-03 Metallicity 0.5731917E+00 Ellipticity -0.2274979E+01 Gb(Abramov) 0.4186498E-02 Vb(Abramov) -0.2880336E-02 Hb(Abramov) 0.1306162E-02 Ex_ueg -0.7548754E-03 Ec_ueg -0.1778687E-03 Delta_ex -0.1050405E-02 Delta_ec 0.5653762E-03 Delta_et -0.3246519E-02 Pxc 0.4244004E+01 Qxc -0.1857887E+01 3,+1 58 3 +3 -0.985219 -2.093518 0.072421 Rho 0.2921666E-02 |GRAD(Rho)| 0.1313493E-15 GRAD(Rho)x 0.1308445E-15 GRAD(Rho)y -0.7176004E-17 GRAD(Rho)z -0.8992742E-17 Laplacian 0.1104782E-01 (-1/4)Del**2(Rho)) -0.2761955E-02 Diamond 0.5701611E-04 Metallicity 0.3724381E+00 Ellipticity -0.8974770E+00 Gb(Abramov) 0.2012746E-02 Vb(Abramov) -0.1263537E-02 Hb(Abramov) 0.7492087E-03 Ex_ueg -0.3084791E-03 Ec_ueg -0.5860018E-04 Delta_ex -0.3675893E-03 Delta_ec 0.1162786E-03 Delta_et -0.6330432E-03 Pxc 0.5264133E+01 Qxc -0.3161281E+01 3,+3 59 3 +3 -1.156459 -1.444593 1.594903 Rho 0.4916273E-02 |GRAD(Rho)| 0.3313212E-17 GRAD(Rho)x -0.1536964E-17 GRAD(Rho)y -0.2928827E-17 GRAD(Rho)z 0.1925776E-18 Laplacian 0.1979201E-01 (-1/4)Del**2(Rho)) -0.4948003E-02 Diamond 0.2358041E-03 Metallicity 0.4948989E+00 Ellipticity -0.5572299E+00 Gb(Abramov) 0.3706795E-02 Vb(Abramov) -0.2465588E-02 Hb(Abramov) 0.1241207E-02 Ex_ueg -0.6173996E-03 Ec_ueg -0.1433114E-03 Delta_ex -0.7762868E-03 Delta_ec 0.2580194E-03 Delta_et -0.1542099E-02 Pxc 0.4308097E+01 Qxc -0.3008637E+01 3,+3 60 3 +1 1.470632 1.423693 -2.118070 Rho 0.5232560E-02 |GRAD(Rho)| 0.1222194E-16 GRAD(Rho)x -0.1098433E-16 GRAD(Rho)y -0.2604479E-18 GRAD(Rho)z -0.5352808E-17 Laplacian 0.2149251E-01 (-1/4)Del**2(Rho)) -0.5373127E-02 Diamond 0.5833665E-03 Metallicity 0.5056497E+00 Ellipticity -0.9892330E+01 Gb(Abramov) 0.4034905E-02 Vb(Abramov) -0.2696683E-02 Hb(Abramov) 0.1338222E-02 Ex_ueg -0.6709200E-03 Ec_ueg -0.1569345E-03 Delta_ex -0.1122226E-02 Delta_ec 0.7556874E-03 Delta_et -0.4128674E-02 Pxc 0.4275159E+01 Qxc -0.1485040E+01 3,+1 61 3 +1 3.015901 0.534351 0.048609 Rho 0.1254079E-01 |GRAD(Rho)| 0.1956510E-14 GRAD(Rho)x 0.2176531E-16 GRAD(Rho)y 0.9469840E-15 GRAD(Rho)z 0.1711922E-14 Laplacian 0.6241564E-01 (-1/4)Del**2(Rho)) -0.1560391E-01 Diamond 0.2600467E-02 Metallicity 0.7473567E+00 Ellipticity -0.1253448E+01 Gb(Abramov) 0.1234622E-01 Vb(Abramov) -0.9088533E-02 Hb(Abramov) 0.3257689E-02 Ex_ueg -0.2151881E-02 Ec_ueg -0.4845910E-03 Delta_ex -0.3088566E-02 Delta_ec 0.7826940E-03 Delta_et -0.5952975E-02 Pxc 0.4440613E+01 Qxc -0.3946071E+01 3,+1 62 3 -1 0.059706 0.906567 3.208339 Rho 0.1341350E+00 |GRAD(Rho)| 0.2953411E-16 GRAD(Rho)x 0.2083278E-17 GRAD(Rho)y -0.7860466E-17 GRAD(Rho)z 0.2839254E-16 Laplacian 0.5575289E+00 (-1/4)Del**2(Rho)) -0.1393822E+00 Diamond 0.9879795E+00 Metallicity 0.4344263E+01 Ellipticity 0.1264817E-01 Gb(Abramov) 0.1938403E+00 Vb(Abramov) -0.2482984E+00 Hb(Abramov) -0.5445811E-01 Ex_ueg -0.5071168E-01 Ec_ueg -0.7435799E-02 Delta_ex -0.5826384E-01 Delta_ec 0.1454031E-01 Delta_et -0.1903798E+00 Pxc 0.6819937E+01 Qxc -0.4007055E+01 3,-1 63 3 +1 -1.405577 1.276771 0.900808 Rho 0.6494272E-02 |GRAD(Rho)| 0.6870435E-12 GRAD(Rho)x -0.5358034E-12 GRAD(Rho)y 0.1086930E-12 GRAD(Rho)z 0.4160881E-12 Laplacian 0.2593528E-01 (-1/4)Del**2(Rho)) -0.6483819E-02 Diamond 0.6327870E-03 Metallicity 0.6006292E+00 Ellipticity -0.1694427E+01 Gb(Abramov) 0.4971608E-02 Vb(Abramov) -0.3459397E-02 Hb(Abramov) 0.1512211E-02 Ex_ueg -0.8948681E-03 Ec_ueg -0.2117735E-03 Delta_ex -0.1208783E-02 Delta_ec 0.5510716E-03 Delta_et -0.3339886E-02 Pxc 0.4225590E+01 Qxc -0.2193513E+01 3,+1 64 3 -1 0.172823 -0.374380 -2.368725 Rho 0.4113255E-01 |GRAD(Rho)| 0.6600302E-14 GRAD(Rho)x 0.3872483E-15 GRAD(Rho)y -0.5861534E-14 GRAD(Rho)z 0.3009392E-14 Laplacian 0.1578382E+00 (-1/4)Del**2(Rho)) -0.3945956E-01 Diamond 0.6091112E-01 Metallicity 0.2139819E+01 Ellipticity 0.1298972E-01 Gb(Abramov) 0.4037909E-01 Vb(Abramov) -0.4129863E-01 Hb(Abramov) -0.9195336E-03 Ex_ueg -0.1048655E-01 Ec_ueg -0.1930921E-02 Delta_ex -0.1234806E-01 Delta_ec 0.4664599E-02 Delta_et -0.4670168E-01 Pxc 0.5430853E+01 Qxc -0.2647185E+01 3,-1 65 3 -1 0.082586 -0.280560 -0.475782 Rho 0.1900271E+00 |GRAD(Rho)| 0.1008410E-12 GRAD(Rho)x -0.2596116E-13 GRAD(Rho)y 0.5312422E-13 GRAD(Rho)z 0.8168681E-13 Laplacian 0.5925194E+00 (-1/4)Del**2(Rho)) -0.1481298E+00 Diamond 0.1774805E+01 Metallicity 0.7304711E+01 Ellipticity 0.8462947E-02 Gb(Abramov) 0.2790942E+00 Vb(Abramov) -0.4100585E+00 Hb(Abramov) -0.1309643E+00 Ex_ueg -0.8068739E-01 Ec_ueg -0.1105341E-01 Delta_ex -0.6880619E-01 Delta_ec 0.1647388E-01 Delta_et -0.2329569E+00 Pxc 0.7299771E+01 Qxc -0.4176685E+01 3,-1 66 3 +1 0.579626 -1.731915 0.029464 Rho 0.8536077E-02 |GRAD(Rho)| 0.1557760E-14 GRAD(Rho)x -0.9466880E-16 GRAD(Rho)y -0.9584282E-15 GRAD(Rho)z -0.1224365E-14 Laplacian 0.3634180E-01 (-1/4)Del**2(Rho)) -0.9085451E-02 Diamond 0.1005221E-02 Metallicity 0.6760371E+00 Ellipticity -0.1394052E+01 Gb(Abramov) 0.7080651E-02 Vb(Abramov) -0.5075851E-02 Hb(Abramov) 0.2004800E-02 Ex_ueg -0.1288436E-02 Ec_ueg -0.3021209E-03 Delta_ex -0.1676447E-02 Delta_ec 0.5459249E-03 Delta_et -0.3696097E-02 Pxc 0.4264636E+01 Qxc -0.3070839E+01 3,+1 67 3 +3 1.115092 1.092779 -1.638784 Rho 0.4220404E-02 |GRAD(Rho)| 0.2681777E-14 GRAD(Rho)x -0.6201337E-15 GRAD(Rho)y -0.2546743E-14 GRAD(Rho)z 0.5669792E-15 Laplacian 0.1757927E-01 (-1/4)Del**2(Rho)) -0.4394818E-02 Diamond 0.1334380E-03 Metallicity 0.4320517E+00 Ellipticity -0.2822487E+00 Gb(Abramov) 0.3246344E-02 Vb(Abramov) -0.2097869E-02 Hb(Abramov) 0.1148475E-02 Ex_ueg -0.5037215E-03 Ec_ueg -0.1135195E-03 Delta_ex -0.6215830E-03 Delta_ec 0.1524143E-03 Delta_et -0.9512308E-03 Pxc 0.4437315E+01 Qxc -0.4078245E+01 3,+3 68 3 +1 -0.756914 -0.321656 1.684865 Rho 0.1472143E-01 |GRAD(Rho)| 0.1280975E-16 GRAD(Rho)x 0.9492096E-17 GRAD(Rho)y -0.3908157E-17 GRAD(Rho)z -0.7662644E-17 Laplacian 0.6520789E-01 (-1/4)Del**2(Rho)) -0.1630197E-01 Diamond 0.3842119E-02 Metallicity 0.9344646E+00 Ellipticity -0.1614504E+01 Gb(Abramov) 0.1340692E-01 Vb(Abramov) -0.1051186E-01 Hb(Abramov) 0.2895055E-02 Ex_ueg -0.2664720E-02 Ec_ueg -0.5866132E-03 Delta_ex -0.3468372E-02 Delta_ec 0.9966081E-03 Delta_et -0.7750591E-02 Pxc 0.4542550E+01 Qxc -0.3480177E+01 3,+1 69 3 -1 0.162863 -1.099118 3.529483 Rho 0.1453145E+00 |GRAD(Rho)| 0.4611572E-15 GRAD(Rho)x -0.4067622E-16 GRAD(Rho)y 0.4524105E-15 GRAD(Rho)z -0.7960034E-16 Laplacian 0.5748767E+00 (-1/4)Del**2(Rho)) -0.1437192E+00 Diamond 0.1122546E+01 Metallicity 0.4814527E+01 Ellipticity 0.4855658E-01 Gb(Abramov) 0.2111361E+00 Vb(Abramov) -0.2785530E+00 Hb(Abramov) -0.6741692E-01 Ex_ueg -0.5642400E-01 Ec_ueg -0.8144255E-02 Delta_ex -0.6126936E-01 Delta_ec 0.1472180E-01 Delta_et -0.1951423E+00 Pxc 0.6928073E+01 Qxc -0.4161812E+01 3,-1 70 3 +1 1.308462 -1.709183 1.714454 Rho 0.2272378E-01 |GRAD(Rho)| 0.1363720E-16 GRAD(Rho)x -0.8260411E-17 GRAD(Rho)y 0.1082758E-16 GRAD(Rho)z 0.7086331E-18 Laplacian 0.8451922E-01 (-1/4)Del**2(Rho)) -0.2112980E-01 Diamond 0.8638830E-02 Metallicity 0.1486365E+01 Ellipticity -0.2482047E+01 Gb(Abramov) 0.1932097E-01 Vb(Abramov) -0.1751214E-01 Hb(Abramov) 0.1808835E-02 Ex_ueg -0.4753636E-02 Ec_ueg -0.9748074E-03 Delta_ex -0.4994635E-02 Delta_ec 0.1201985E-02 Delta_et -0.1043222E-01 Pxc 0.4876487E+01 Qxc -0.4155321E+01 3,+1 71 3 -1 -0.131665 0.008126 -4.518474 Rho 0.2306397E+00 |GRAD(Rho)| 0.3145591E-14 GRAD(Rho)x 0.2962786E-15 GRAD(Rho)y 0.1997927E-14 GRAD(Rho)z 0.2411482E-14 Laplacian 0.8477783E+00 (-1/4)Del**2(Rho)) -0.2119446E+00 Diamond 0.2860181E+01 Metallicity 0.7050518E+01 Ellipticity 0.1204671E-01 Gb(Abramov) 0.3903496E+00 Vb(Abramov) -0.5687546E+00 Hb(Abramov) -0.1784050E+00 Ex_ueg -0.1044633E+00 Ec_ueg -0.1379446E-01 Delta_ex -0.1013837E+00 Delta_ec 0.1896825E-01 Delta_et -0.2624166E+00 Pxc 0.7572844E+01 Qxc -0.5344913E+01 3,-1 72 3 -1 0.036792 -1.115529 -3.497660 Rho 0.1447824E+00 |GRAD(Rho)| 0.2275857E-15 GRAD(Rho)x 0.6139295E-17 GRAD(Rho)y 0.2268964E-15 GRAD(Rho)z -0.1660015E-16 Laplacian 0.5704329E+00 (-1/4)Del**2(Rho)) -0.1426082E+00 Diamond 0.1114679E+01 Metallicity 0.4822457E+01 Ellipticity 0.4539802E-01 Gb(Abramov) 0.2096925E+00 Vb(Abramov) -0.2767768E+00 Hb(Abramov) -0.6708427E-01 Ex_ueg -0.5614868E-01 Ec_ueg -0.8110356E-02 Delta_ex -0.6080081E-01 Delta_ec 0.1472760E-01 Delta_et -0.1953480E+00 Pxc 0.6923085E+01 Qxc -0.4128358E+01 3,-1 73 3 +3 1.148090 1.190083 1.643592 Rho 0.4284542E-02 |GRAD(Rho)| 0.2141515E-15 GRAD(Rho)x -0.2928621E-16 GRAD(Rho)y -0.2109038E-15 GRAD(Rho)z 0.2286370E-16 Laplacian 0.1785270E-01 (-1/4)Del**2(Rho)) -0.4463175E-02 Diamond 0.1446622E-03 Metallicity 0.4362646E+00 Ellipticity -0.2809776E+00 Gb(Abramov) 0.3299971E-02 Vb(Abramov) -0.2136767E-02 Hb(Abramov) 0.1163204E-02 Ex_ueg -0.5139541E-03 Ec_ueg -0.1162549E-03 Delta_ex -0.6409344E-03 Delta_ec 0.1677131E-03 Delta_et -0.1031211E-02 Pxc 0.4420925E+01 Qxc -0.3821613E+01 3,+3 74 3 -1 0.158279 -0.267843 0.549336 Rho 0.1828290E+00 |GRAD(Rho)| 0.5890863E-11 GRAD(Rho)x -0.2985810E-11 GRAD(Rho)y 0.2235412E-11 GRAD(Rho)z -0.4559620E-11 Laplacian 0.5290140E+00 (-1/4)Del**2(Rho)) -0.1322535E+00 Diamond 0.1513200E+01 Metallicity 0.7671634E+01 Ellipticity 0.4000257E-02 Gb(Abramov) 0.2572691E+00 Vb(Abramov) -0.3822846E+00 Hb(Abramov) -0.1250156E+00 Ex_ueg -0.7663818E-01 Ec_ueg -0.1057722E-01 Delta_ex -0.6085550E-01 Delta_ec 0.1485543E-01 Delta_et -0.2089441E+00 Pxc 0.7245588E+01 Qxc -0.4096516E+01 3,-1 75 3 -1 0.345793 -0.351768 2.374321 Rho 0.4788829E-01 |GRAD(Rho)| 0.1101336E-15 GRAD(Rho)x -0.1779193E-16 GRAD(Rho)y 0.6780922E-17 GRAD(Rho)z 0.1084753E-15 Laplacian 0.1839546E+00 (-1/4)Del**2(Rho)) -0.4598865E-01 Diamond 0.8632283E-01 Metallicity 0.2365655E+01 Ellipticity 0.2040139E-01 Gb(Abramov) 0.4879131E-01 Vb(Abramov) -0.5159397E-01 Hb(Abramov) -0.2802660E-02 Ex_ueg -0.1284372E-01 Ec_ueg -0.2298483E-02 Delta_ex -0.1490463E-01 Delta_ec 0.5351183E-02 Delta_et -0.5576010E-01 Pxc 0.5587911E+01 Qxc -0.2785296E+01 3,-1 76 3 +3 -1.062801 0.697998 -1.479926 Rho 0.4213833E-02 |GRAD(Rho)| 0.2018636E-13 GRAD(Rho)x 0.2120889E-14 GRAD(Rho)y -0.1796604E-13 GRAD(Rho)z 0.8956120E-14 Laplacian 0.1696686E-01 (-1/4)Del**2(Rho)) -0.4241714E-02 Diamond 0.1485604E-03 Metallicity 0.4464855E+00 Ellipticity -0.7189972E+00 Gb(Abramov) 0.3143454E-02 Vb(Abramov) -0.2045193E-02 Hb(Abramov) 0.1098261E-02 Ex_ueg -0.5026760E-03 Ec_ueg -0.1132393E-03 Delta_ex -0.6230687E-03 Delta_ec 0.1888461E-03 Delta_et -0.1115939E-02 Pxc 0.4439059E+01 Qxc -0.3299346E+01 3,+3 77 3 -1 -0.076058 0.058560 4.474118 Rho 0.2364841E+00 |GRAD(Rho)| 0.7706578E-15 GRAD(Rho)x 0.1936385E-15 GRAD(Rho)y -0.1564504E-15 GRAD(Rho)z -0.7293428E-15 Laplacian 0.8802416E+00 (-1/4)Del**2(Rho)) -0.2200604E+00 Diamond 0.3044591E+01 Metallicity 0.7079692E+01 Ellipticity 0.2761151E-02 Gb(Abramov) 0.4063669E+00 Vb(Abramov) -0.5926734E+00 Hb(Abramov) -0.1863065E+00 Ex_ueg -0.1080076E+00 Ec_ueg -0.1419640E-01 Delta_ex -0.1058675E+00 Delta_ec 0.1939684E-01 Delta_et -0.2679592E+00 Pxc 0.7608093E+01 Qxc -0.5457978E+01 3,-1 78 3 +1 1.388352 -1.511453 -1.629869 Rho 0.2233530E-01 |GRAD(Rho)| 0.6955929E-15 GRAD(Rho)x -0.1820288E-15 GRAD(Rho)y -0.4559367E-15 GRAD(Rho)z 0.4927847E-15 Laplacian 0.8816290E-01 (-1/4)Del**2(Rho)) -0.2204073E-01 Diamond 0.1109976E-01 Metallicity 0.1384565E+01 Ellipticity -0.6932200E+01 Gb(Abramov) 0.1977996E-01 Vb(Abramov) -0.1751918E-01 Hb(Abramov) 0.2260771E-02 Ex_ueg -0.4645588E-02 Ec_ueg -0.9555096E-03 Delta_ex -0.5475923E-02 Delta_ec 0.1772214E-02 Delta_et -0.1512996E-01 Pxc 0.4861896E+01 Qxc -0.3089876E+01 3,+1 79 3 +1 0.120686 0.950400 1.573699 Rho 0.8804714E-02 |GRAD(Rho)| 0.4679250E-13 GRAD(Rho)x -0.1587407E-13 GRAD(Rho)y 0.4392985E-13 GRAD(Rho)z 0.2778469E-14 Laplacian 0.3632564E-01 (-1/4)Del**2(Rho)) -0.9081410E-02 Diamond 0.1033291E-02 Metallicity 0.7121836E+00 Ellipticity -0.1421603E+01 Gb(Abramov) 0.7132212E-02 Vb(Abramov) -0.5183014E-02 Hb(Abramov) 0.1949198E-02 Ex_ueg -0.1342782E-02 Ec_ueg -0.3141489E-03 Delta_ex -0.1682298E-02 Delta_ec 0.5341540E-03 Delta_et -0.3654510E-02 Pxc 0.4274348E+01 Qxc -0.3149463E+01 3,+1 80 3 +1 1.423449 1.665115 2.005763 Rho 0.5095112E-02 |GRAD(Rho)| 0.2245658E-15 GRAD(Rho)x 0.7925906E-18 GRAD(Rho)y 0.1898037E-15 GRAD(Rho)z -0.1200156E-15 Laplacian 0.2092383E-01 (-1/4)Del**2(Rho)) -0.5230958E-02 Diamond 0.5112895E-03 Metallicity 0.4968533E+00 Ellipticity -0.3468591E+01 Gb(Abramov) 0.3920475E-02 Vb(Abramov) -0.2609992E-02 Hb(Abramov) 0.1310483E-02 Ex_ueg -0.6475253E-03 Ec_ueg -0.1510082E-03 Delta_ex -0.1053909E-02 Delta_ec 0.6763772E-03 Delta_et -0.3687077E-02 Pxc 0.4288015E+01 Qxc -0.1558167E+01 3,+1 81 3 +1 0.870873 2.464925 -0.632441 Rho 0.2309586E-01 |GRAD(Rho)| 0.1876091E-16 GRAD(Rho)x -0.9872893E-18 GRAD(Rho)y 0.1729308E-16 GRAD(Rho)z -0.7207395E-17 Laplacian 0.8852758E-01 (-1/4)Del**2(Rho)) -0.2213190E-01 Diamond 0.1060932E-01 Metallicity 0.1458002E+01 Ellipticity -0.3937288E+01 Gb(Abramov) 0.2013265E-01 Vb(Abramov) -0.1813341E-01 Hb(Abramov) 0.1999241E-02 Ex_ueg -0.4857698E-02 Ec_ueg -0.9933297E-03 Delta_ex -0.5418334E-02 Delta_ec 0.1551131E-02 Delta_et -0.1341380E-01 Pxc 0.4890318E+01 Qxc -0.3493151E+01 3,+1 82 3 -1 1.302691 2.032211 0.033710 Rho 0.3688113E-01 |GRAD(Rho)| 0.3401352E-13 GRAD(Rho)x 0.3035275E-13 GRAD(Rho)y 0.1531551E-13 GRAD(Rho)z 0.1032229E-14 Laplacian 0.1395212E+00 (-1/4)Del**2(Rho)) -0.3488030E-01 Diamond 0.4563723E-01 Metallicity 0.2018273E+01 Ellipticity 0.4247532E-01 Gb(Abramov) 0.3498653E-01 Vb(Abramov) -0.3509276E-01 Hb(Abramov) -0.1062298E-03 Ex_ueg -0.9066868E-02 Ec_ueg -0.1703708E-02 Delta_ex -0.1057354E-01 Delta_ec 0.4035942E-02 Delta_et -0.3922951E-01 Pxc 0.5321843E+01 Qxc -0.2619845E+01 3,-1 83 3 +1 -1.541502 1.066967 -0.801512 Rho 0.5942901E-02 |GRAD(Rho)| 0.6156667E-17 GRAD(Rho)x 0.3496552E-17 GRAD(Rho)y 0.4174178E-17 GRAD(Rho)z -0.2873136E-17 Laplacian 0.2342224E-01 (-1/4)Del**2(Rho)) -0.5855560E-02 Diamond 0.6342385E-03 Metallicity 0.5736525E+00 Ellipticity -0.3018623E+01 Gb(Abramov) 0.4463549E-02 Vb(Abramov) -0.3071539E-02 Hb(Abramov) 0.1392011E-02 Ex_ueg -0.7950291E-03 Ec_ueg -0.1877126E-03 Delta_ex -0.1164070E-02 Delta_ec 0.6653222E-03 Delta_et -0.3833846E-02 Pxc 0.4235352E+01 Qxc -0.1749633E+01 3,+1 84 3 +1 0.524854 2.556120 0.787779 Rho 0.2200947E-01 |GRAD(Rho)| 0.4689111E-16 GRAD(Rho)x -0.6399492E-17 GRAD(Rho)y -0.3525813E-16 GRAD(Rho)z -0.3024379E-16 Laplacian 0.8303990E-01 (-1/4)Del**2(Rho)) -0.2075997E-01 Diamond 0.8285093E-02 Metallicity 0.1434418E+01 Ellipticity -0.2450744E+01 Gb(Abramov) 0.1880306E-01 Vb(Abramov) -0.1684615E-01 Hb(Abramov) 0.1956911E-02 Ex_ueg -0.4555450E-02 Ec_ueg -0.9393576E-03 Delta_ex -0.4885813E-02 Delta_ec 0.1218531E-02 Delta_et -0.1048324E-01 Pxc 0.4849537E+01 Qxc -0.4009593E+01 3,+1 85 3 +1 -0.367999 2.705483 0.179498 Rho 0.2310446E-01 |GRAD(Rho)| 0.9628330E-14 GRAD(Rho)x -0.2556246E-14 GRAD(Rho)y 0.4647899E-14 GRAD(Rho)z 0.8035383E-14 Laplacian 0.8889151E-01 (-1/4)Del**2(Rho)) -0.2222288E-01 Diamond 0.1028751E-01 Metallicity 0.1452934E+01 Ellipticity -0.3169753E+01 Gb(Abramov) 0.2019665E-01 Vb(Abramov) -0.1817042E-01 Hb(Abramov) 0.2026229E-02 Ex_ueg -0.4860111E-02 Ec_ueg -0.9937584E-03 Delta_ex -0.5396398E-02 Delta_ec 0.1477619E-02 Delta_et -0.1280135E-01 Pxc 0.4890636E+01 Qxc -0.3652090E+01 3,+1 86 3 +3 1.813766 0.276263 0.007654 Rho 0.4233050E-02 |GRAD(Rho)| 0.2157113E-17 GRAD(Rho)x 0.1625264E-17 GRAD(Rho)y -0.7016326E-18 GRAD(Rho)z -0.1232625E-17 Laplacian 0.1732635E-01 (-1/4)Del**2(Rho)) -0.4331587E-02 Diamond 0.1122935E-03 Metallicity 0.4405500E+00 Ellipticity -0.3087592E+00 Gb(Abramov) 0.3205771E-02 Vb(Abramov) -0.2079956E-02 Hb(Abramov) 0.1125815E-02 Ex_ueg -0.5057350E-03 Ec_ueg -0.1140586E-03 Delta_ex -0.5901997E-03 Delta_ec 0.1093190E-03 Delta_et -0.7437134E-03 Pxc 0.4433992E+01 Qxc -0.5398878E+01 3,+3 87 3 +1 1.450521 0.759418 0.848767 Rho 0.7614809E-02 |GRAD(Rho)| 0.1248717E-16 GRAD(Rho)x 0.9884560E-17 GRAD(Rho)y 0.7097495E-17 GRAD(Rho)z -0.2801844E-17 Laplacian 0.3152089E-01 (-1/4)Del**2(Rho)) -0.7880224E-02 Diamond 0.7392469E-03 Metallicity 0.6443369E+00 Ellipticity -0.1373101E+01 Gb(Abramov) 0.6099736E-02 Vb(Abramov) -0.4319247E-02 Hb(Abramov) 0.1780488E-02 Ex_ueg -0.1106447E-02 Ec_ueg -0.2611179E-03 Delta_ex -0.1409544E-02 Delta_ec 0.4667285E-03 Delta_et -0.3071952E-02 Pxc 0.4237344E+01 Qxc -0.3020052E+01 3,+1 88 3 +1 1.706625 -0.667404 -0.072811 Rho 0.6751978E-02 |GRAD(Rho)| 0.5302368E-17 GRAD(Rho)x 0.5293231E-17 GRAD(Rho)y 0.2563027E-18 GRAD(Rho)z -0.1764008E-18 Laplacian 0.2721902E-01 (-1/4)Del**2(Rho)) -0.6804756E-02 Diamond 0.5594323E-03 Metallicity 0.6106499E+00 Ellipticity -0.1386736E+01 Gb(Abramov) 0.5229058E-02 Vb(Abramov) -0.3653360E-02 Hb(Abramov) 0.1575698E-02 Ex_ueg -0.9425254E-03 Ec_ueg -0.2230695E-03 Delta_ex -0.1192375E-02 Delta_ec 0.4222415E-03 Delta_et -0.2676755E-02 Pxc 0.4225254E+01 Qxc -0.2823916E+01 3,+1 89 3 -1 1.799586 -0.618311 1.541367 Rho 0.4023951E-01 |GRAD(Rho)| 0.3204781E-14 GRAD(Rho)x 0.8355599E-15 GRAD(Rho)y 0.3090653E-14 GRAD(Rho)z 0.1425735E-15 Laplacian 0.1552675E+00 (-1/4)Del**2(Rho)) -0.3881687E-01 Diamond 0.5774499E-01 Metallicity 0.2097107E+01 Ellipticity 0.2199810E-01 Gb(Abramov) 0.3944510E-01 Vb(Abramov) -0.4007333E-01 Hb(Abramov) -0.6282296E-03 Ex_ueg -0.1018409E-01 Ec_ueg -0.1882917E-02 Delta_ex -0.1205715E-01 Delta_ec 0.4546948E-02 Delta_et -0.4525130E-01 Pxc 0.5408675E+01 Qxc -0.2651701E+01 3,-1 90 3 +1 1.482504 -1.408863 2.886692 Rho 0.1265087E-01 |GRAD(Rho)| 0.1308565E-16 GRAD(Rho)x 0.1152400E-16 GRAD(Rho)y -0.6199200E-17 GRAD(Rho)z 0.4002806E-19 Laplacian 0.5932581E-01 (-1/4)Del**2(Rho)) -0.1483145E-01 Diamond 0.2167484E-02 Metallicity 0.7978169E+00 Ellipticity -0.1195156E+01 Gb(Abramov) 0.1185977E-01 Vb(Abramov) -0.8888079E-02 Hb(Abramov) 0.2971687E-02 Ex_ueg -0.2177102E-02 Ec_ueg -0.4896980E-03 Delta_ex -0.2852525E-02 Delta_ec 0.5832973E-03 Delta_et -0.4569830E-02 Pxc 0.4445805E+01 Qxc -0.4890345E+01 3,+1 91 3 -1 1.683924 -0.617607 -1.568523 Rho 0.2895128E-01 |GRAD(Rho)| 0.4426887E-16 GRAD(Rho)x 0.4263106E-16 GRAD(Rho)y -0.5387669E-17 GRAD(Rho)z -0.1064419E-16 Laplacian 0.1063133E+00 (-1/4)Del**2(Rho)) -0.2657833E-01 Diamond 0.2398163E-01 Metallicity 0.1769315E+01 Ellipticity 0.7247431E-01 Gb(Abramov) 0.2555646E-01 Vb(Abramov) -0.2453459E-01 Hb(Abramov) 0.1021868E-02 Ex_ueg -0.6565616E-02 Ec_ueg -0.1289641E-02 Delta_ex -0.7499459E-02 Delta_ec 0.2914207E-02 Delta_et -0.2651970E-01 Pxc 0.5091042E+01 Qxc -0.2573413E+01 3,-1 92 3 +1 1.222425 -0.377512 -2.301836 Rho 0.2124761E-01 |GRAD(Rho)| 0.5998803E-16 GRAD(Rho)x 0.2587447E-16 GRAD(Rho)y 0.1384774E-16 GRAD(Rho)z -0.5231936E-16 Laplacian 0.8096311E-01 (-1/4)Del**2(Rho)) -0.2024078E-01 Diamond 0.9102347E-02 Metallicity 0.1387319E+01 Ellipticity -0.4856383E+01 Gb(Abramov) 0.1817392E-01 Vb(Abramov) -0.1610706E-01 Hb(Abramov) 0.2066858E-02 Ex_ueg -0.4346422E-02 Ec_ueg -0.9017093E-03 Delta_ex -0.4908354E-02 Delta_ec 0.1527064E-02 Delta_et -0.1289608E-01 Pxc 0.4820203E+01 Qxc -0.3214242E+01 3,+1 93 3 -1 2.439646 -0.306854 -2.721940 Rho 0.1732116E+00 |GRAD(Rho)| 0.2462867E-15 GRAD(Rho)x -0.4670201E-16 GRAD(Rho)y 0.1899522E-15 GRAD(Rho)z 0.1496470E-15 Laplacian 0.6782877E+00 (-1/4)Del**2(Rho)) -0.1695719E+00 Diamond 0.1633645E+01 Metallicity 0.5467987E+01 Ellipticity 0.4324810E-01 Gb(Abramov) 0.2675841E+00 Vb(Abramov) -0.3655963E+00 Hb(Abramov) -0.9801220E-01 Ex_ueg -0.7131064E-01 Ec_ueg -0.9945596E-02 Delta_ex -0.7548788E-01 Delta_ec 0.1658964E-01 Delta_et -0.2248803E+00 Pxc 0.7170072E+01 Qxc -0.4550302E+01 3,-1 94 3 +3 1.670787 -1.625843 -0.051236 Rho 0.3856951E-02 |GRAD(Rho)| 0.4692566E-17 GRAD(Rho)x -0.1253567E-17 GRAD(Rho)y 0.4506293E-17 GRAD(Rho)z -0.3769199E-18 Laplacian 0.1611010E-01 (-1/4)Del**2(Rho)) -0.4027526E-02 Diamond 0.1157707E-03 Metallicity 0.4057468E+00 Ellipticity -0.1591486E+00 Gb(Abramov) 0.2957376E-02 Vb(Abramov) -0.1887227E-02 Hb(Abramov) 0.1070149E-02 Ex_ueg -0.4467287E-03 Ec_ueg -0.9805932E-04 Delta_ex -0.5666074E-03 Delta_ec 0.1573458E-03 Delta_et -0.9346667E-03 Pxc 0.4555699E+01 Qxc -0.3601033E+01 3,+3 95 3 -1 2.473461 -0.306272 2.684845 Rho 0.1261190E+00 |GRAD(Rho)| 0.1576121E-13 GRAD(Rho)x 0.9026390E-14 GRAD(Rho)y -0.5090776E-14 GRAD(Rho)z -0.1187535E-13 Laplacian 0.4951314E+00 (-1/4)Del**2(Rho)) -0.1237828E+00 Diamond 0.8190050E+00 Metallicity 0.4414282E+01 Ellipticity 0.2383669E-01 Gb(Abramov) 0.1735906E+00 Vb(Abramov) -0.2233984E+00 Hb(Abramov) -0.4980778E-01 Ex_ueg -0.4671169E-01 Ec_ueg -0.6932804E-02 Delta_ex -0.5103297E-01 Delta_ec 0.1319899E-01 Delta_et -0.1712663E+00 Pxc 0.6737778E+01 Qxc -0.3866429E+01 3,-1 96 3 +1 1.408099 0.665983 -0.833519 Rho 0.7545130E-02 |GRAD(Rho)| 0.7893307E-14 GRAD(Rho)x -0.3791054E-14 GRAD(Rho)y 0.5411691E-14 GRAD(Rho)z 0.4318078E-14 Laplacian 0.3103302E-01 (-1/4)Del**2(Rho)) -0.7758255E-02 Diamond 0.7434278E-03 Metallicity 0.6445159E+00 Ellipticity -0.1409600E+01 Gb(Abramov) 0.6005557E-02 Vb(Abramov) -0.4252858E-02 Hb(Abramov) 0.1752699E-02 Ex_ueg -0.1092968E-02 Ec_ueg -0.2580324E-03 Delta_ex -0.1397800E-02 Delta_ec 0.4831268E-03 Delta_et -0.3153310E-02 Pxc 0.4235777E+01 Qxc -0.2893236E+01 3,+1 97 3 +1 2.112873 -2.072559 0.012571 Rho 0.4554193E-02 |GRAD(Rho)| 0.5481618E-18 GRAD(Rho)x -0.1334335E-18 GRAD(Rho)y -0.5316208E-18 GRAD(Rho)z -0.7497410E-20 Laplacian 0.1852845E-01 (-1/4)Del**2(Rho)) -0.4632113E-02 Diamond 0.4080160E-03 Metallicity 0.4653643E+00 Ellipticity -0.4036418E+01 Gb(Abramov) 0.3447346E-02 Vb(Abramov) -0.2262578E-02 Hb(Abramov) 0.1184768E-02 Ex_ueg -0.5575283E-03 Ec_ueg -0.1277786E-03 Delta_ex -0.9331681E-03 Delta_ec 0.6339471E-03 Delta_et -0.3326952E-02 Pxc 0.4363236E+01 Qxc -0.1471997E+01 3,+1 98 3 -1 -2.114389 1.532142 -2.078792 Rho 0.3089378E+00 |GRAD(Rho)| 0.1735309E-13 GRAD(Rho)x 0.1536246E-13 GRAD(Rho)y 0.6884819E-14 GRAD(Rho)z 0.4209971E-14 Laplacian -0.1526395E+01 (-1/4)Del**2(Rho)) 0.3815987E+00 Diamond 0.5229332E+01 Metallicity -0.6373794E+01 Ellipticity 0.5158219E-02 Gb(Abramov) 0.1509728E+00 Vb(Abramov) -0.6835443E+00 Hb(Abramov) -0.5325715E+00 Ex_ueg -0.1542457E+00 Ec_ueg -0.1933493E-01 Delta_ex 0.1494756E+00 Delta_ec 0.5404255E-01 Delta_et -0.1261632E+01 Pxc 0.7977569E+01 Qxc 0.2765887E+01 3,-1 99 3 +3 -1.066025 0.999597 1.584262 Rho 0.4763433E-02 |GRAD(Rho)| 0.6806216E-12 GRAD(Rho)x 0.3989132E-12 GRAD(Rho)y 0.2919426E-12 GRAD(Rho)z 0.4678500E-12 Laplacian 0.1948577E-01 (-1/4)Del**2(Rho)) -0.4871443E-02 Diamond 0.1570851E-03 Metallicity 0.4769018E+00 Ellipticity -0.4091177E+00 Gb(Abramov) 0.3634829E-02 Vb(Abramov) -0.2398214E-02 Hb(Abramov) 0.1236614E-02 Ex_ueg -0.5919411E-03 Ec_ueg -0.1367466E-03 Delta_ex -0.6937019E-03 Delta_ec 0.1384453E-03 Delta_et -0.9340762E-03 Pxc 0.4328744E+01 Qxc -0.5010657E+01 3,+3 100 3 +1 -1.218363 1.275428 -2.604903 Rho 0.1504486E-01 |GRAD(Rho)| 0.8997771E-17 GRAD(Rho)x 0.5149960E-17 GRAD(Rho)y 0.7199780E-17 GRAD(Rho)z -0.1612751E-17 Laplacian 0.6996975E-01 (-1/4)Del**2(Rho)) -0.1749244E-01 Diamond 0.3868530E-02 Metallicity 0.9029904E+00 Ellipticity -0.1435756E+01 Gb(Abramov) 0.1429421E-01 Vb(Abramov) -0.1109598E-01 Hb(Abramov) 0.3198229E-02 Ex_ueg -0.2743064E-02 Ec_ueg -0.6018937E-03 Delta_ex -0.3661877E-02 Delta_ec 0.9247802E-03 Delta_et -0.7312914E-02 Pxc 0.4557389E+01 Qxc -0.3959727E+01 3,+1 101 3 +1 -1.507241 1.250528 2.376599 Rho 0.7696813E-02 |GRAD(Rho)| 0.1336334E-16 GRAD(Rho)x 0.3897025E-17 GRAD(Rho)y -0.1183570E-16 GRAD(Rho)z 0.4827876E-17 Laplacian 0.3437219E-01 (-1/4)Del**2(Rho)) -0.8593049E-02 Diamond 0.1024193E-02 Metallicity 0.6015303E+00 Ellipticity -0.1545002E+01 Gb(Abramov) 0.6590195E-02 Vb(Abramov) -0.4587342E-02 Hb(Abramov) 0.2002853E-02 Ex_ueg -0.1122362E-02 Ec_ueg -0.2647520E-03 Delta_ex -0.1648888E-02 Delta_ec 0.7013248E-03 Delta_et -0.4475786E-02 Pxc 0.4239295E+01 Qxc -0.2351105E+01 3,+1 102 3 -1 -1.024380 -0.081853 -3.308094 Rho 0.2120985E+00 |GRAD(Rho)| 0.6027570E-13 GRAD(Rho)x -0.1594379E-13 GRAD(Rho)y -0.5536270E-14 GRAD(Rho)z 0.5786455E-13 Laplacian 0.8172568E+00 (-1/4)Del**2(Rho)) -0.2043142E+00 Diamond 0.2475576E+01 Metallicity 0.6360391E+01 Ellipticity 0.1911551E-01 Gb(Abramov) 0.3527958E+00 Vb(Abramov) -0.5012774E+00 Hb(Abramov) -0.1484816E+00 Ex_ueg -0.9341897E-01 Ec_ueg -0.1253172E-01 Delta_ex -0.9552954E-01 Delta_ec 0.1853508E-01 Delta_et -0.2545067E+00 Pxc 0.7454598E+01 Qxc -0.5153986E+01 3,-1 103 3 -1 -0.860979 -0.159671 3.169059 Rho 0.1533515E+00 |GRAD(Rho)| 0.6241073E-13 GRAD(Rho)x 0.4793101E-13 GRAD(Rho)y 0.2749850E-13 GRAD(Rho)z 0.2900948E-13 Laplacian 0.5831742E+00 (-1/4)Del**2(Rho)) -0.1457935E+00 Diamond 0.1229504E+01 Metallicity 0.5191525E+01 Ellipticity 0.9526509E-01 Gb(Abramov) 0.2233442E+00 Vb(Abramov) -0.3008948E+00 Hb(Abramov) -0.7755062E-01 Ex_ueg -0.6062277E-01 Ec_ueg -0.8658403E-02 Delta_ex -0.6312296E-01 Delta_ec 0.1499006E-01 Delta_et -0.2008078E+00 Pxc 0.7001611E+01 Qxc -0.4210989E+01 3,-1 104 3 -1 -0.771582 -0.117956 0.134223 Rho 0.2229101E+00 |GRAD(Rho)| 0.1166021E-15 GRAD(Rho)x -0.2794970E-17 GRAD(Rho)y -0.8893256E-16 GRAD(Rho)z -0.7536074E-16 Laplacian 0.9480368E+00 (-1/4)Del**2(Rho)) -0.2370092E+00 Diamond 0.3228165E+01 Metallicity 0.5956678E+01 Ellipticity 0.2513709E-01 Gb(Abramov) 0.3933041E+00 Vb(Abramov) -0.5495989E+00 Hb(Abramov) -0.1562949E+00 Ex_ueg -0.9982163E-01 Ec_ueg -0.1326574E-01 Delta_ex -0.1133047E+00 Delta_ec 0.2308088E-01 Delta_et -0.3254347E+00 Pxc 0.7524768E+01 Qxc -0.4909029E+01 3,-1 105 3 +1 0.120925 0.944808 -1.574199 Rho 0.8130038E-02 |GRAD(Rho)| 0.1054868E-15 GRAD(Rho)x 0.4418971E-17 GRAD(Rho)y -0.7824467E-19 GRAD(Rho)z 0.1053942E-15 Laplacian 0.3394148E-01 (-1/4)Del**2(Rho)) -0.8485370E-02 Diamond 0.8683410E-03 Metallicity 0.6673751E+00 Ellipticity -0.1384582E+01 Gb(Abramov) 0.6600734E-02 Vb(Abramov) -0.4716098E-02 Hb(Abramov) 0.1884636E-02 Ex_ueg -0.1207374E-02 Ec_ueg -0.2840020E-03 Delta_ex -0.1541829E-02 Delta_ec 0.5009944E-03 Delta_et -0.3355748E-02 Pxc 0.4251287E+01 Qxc -0.3077537E+01 3,+1 106 3 +1 0.585478 3.480986 -0.039208 Rho 0.1219104E-01 |GRAD(Rho)| 0.1818410E-16 GRAD(Rho)x 0.1802988E-16 GRAD(Rho)y -0.2361594E-17 GRAD(Rho)z -0.8974579E-19 Laplacian 0.5647536E-01 (-1/4)Del**2(Rho)) -0.1411884E-01 Diamond 0.2016575E-02 Metallicity 0.7879326E+00 Ellipticity -0.1218065E+01 Gb(Abramov) 0.1126667E-01 Vb(Abramov) -0.8414511E-02 Hb(Abramov) 0.2852164E-02 Ex_ueg -0.2072238E-02 Ec_ueg -0.4683955E-03 Delta_ex -0.2703866E-02 Delta_ec 0.5835325E-03 Delta_et -0.4506369E-02 Pxc 0.4424120E+01 Qxc -0.4633617E+01 3,+1 107 3 -1 0.611563 -3.900830 -2.163811 Rho 0.2286297E+00 |GRAD(Rho)| 0.6231738E-15 GRAD(Rho)x 0.8183016E-16 GRAD(Rho)y -0.6121405E-15 GRAD(Rho)z 0.8326673E-16 Laplacian 0.8417688E+00 (-1/4)Del**2(Rho)) -0.2104422E+00 Diamond 0.2811831E+01 Metallicity 0.6998012E+01 Ellipticity 0.1794788E-01 Gb(Abramov) 0.3857410E+00 Vb(Abramov) -0.5610398E+00 Hb(Abramov) -0.1752988E+00 Ex_ueg -0.1032512E+00 Ec_ueg -0.1365666E-01 Delta_ex -0.1004459E+00 Delta_ec 0.1889872E-01 Delta_et -0.2614195E+00 Pxc 0.7560504E+01 Qxc -0.5314956E+01 3,-1 108 3 -1 0.658956 -3.940451 2.267659 Rho 0.2295576E+00 |GRAD(Rho)| 0.3351876E-15 GRAD(Rho)x -0.8356488E-16 GRAD(Rho)y -0.3085639E-15 GRAD(Rho)z -0.1007766E-15 Laplacian 0.8362810E+00 (-1/4)Del**2(Rho)) -0.2090703E+00 Diamond 0.2813323E+01 Metallicity 0.7091644E+01 Ellipticity 0.1557889E-01 Gb(Abramov) 0.3864888E+00 Vb(Abramov) -0.5639073E+00 Hb(Abramov) -0.1774185E+00 Ex_ueg -0.1038103E+00 Ec_ueg -0.1372024E-01 Delta_ex -0.9993093E-01 Delta_ec 0.1881578E-01 Delta_et -0.2605812E+00 Pxc 0.7566215E+01 Qxc -0.5311018E+01 3,-1 109 3 -1 0.408697 3.322599 1.477835 Rho 0.8156833E-01 |GRAD(Rho)| 0.1434177E-15 GRAD(Rho)x 0.1391201E-15 GRAD(Rho)y 0.2702797E-16 GRAD(Rho)z -0.2199406E-16 Laplacian 0.3314594E+00 (-1/4)Del**2(Rho)) -0.8286486E-01 Diamond 0.3187662E+00 Metallicity 0.3189471E+01 Ellipticity 0.1068914E-01 Gb(Abramov) 0.9929242E-01 Vb(Abramov) -0.1157200E+00 Hb(Abramov) -0.1642756E-01 Ex_ueg -0.2612645E-01 Ec_ueg -0.4222794E-02 Delta_ex -0.3074664E-01 Delta_ec 0.9514426E-02 Delta_et -0.1131104E+00 Pxc 0.6187007E+01 Qxc -0.3231581E+01 3,-1 110 3 -1 0.419610 -1.825457 -1.493872 Rho 0.4283625E-01 |GRAD(Rho)| 0.9354703E-16 GRAD(Rho)x -0.1708459E-17 GRAD(Rho)y -0.9142196E-16 GRAD(Rho)z -0.1975228E-16 Laplacian 0.1630199E+00 (-1/4)Del**2(Rho)) -0.4075497E-01 Diamond 0.6697136E-01 Metallicity 0.2216792E+01 Ellipticity 0.1486762E-01 Gb(Abramov) 0.4222753E-01 Vb(Abramov) -0.4370009E-01 Hb(Abramov) -0.1472561E-02 Ex_ueg -0.1106964E-01 Ec_ueg -0.2022893E-02 Delta_ex -0.1290902E-01 Delta_ec 0.4862846E-02 Delta_et -0.4922508E-01 Pxc 0.5472185E+01 Qxc -0.2654622E+01 3,-1 111 3 -1 0.531047 -1.834966 1.573679 Rho 0.3590701E-01 |GRAD(Rho)| 0.7130228E-16 GRAD(Rho)x -0.1123547E-16 GRAD(Rho)y -0.6917782E-16 GRAD(Rho)z 0.1312287E-16 Laplacian 0.1313565E+00 (-1/4)Del**2(Rho)) -0.3283912E-01 Diamond 0.4147432E-01 Metallicity 0.2050188E+01 Ellipticity 0.3701680E-01 Gb(Abramov) 0.3311381E-01 Vb(Abramov) -0.3338849E-01 Hb(Abramov) -0.2746884E-03 Ex_ueg -0.8748978E-02 Ec_ueg -0.1652133E-02 Delta_ex -0.9891990E-02 Delta_ec 0.3805673E-02 Delta_et -0.3672441E-01 Pxc 0.5295566E+01 Qxc -0.2599275E+01 3,-1 112 3 +1 -0.933034 -3.161792 0.076572 Rho 0.6424362E-02 |GRAD(Rho)| 0.2265796E-15 GRAD(Rho)x 0.2263907E-15 GRAD(Rho)y -0.9231808E-17 GRAD(Rho)z -0.6094718E-18 Laplacian 0.2802864E-01 (-1/4)Del**2(Rho)) -0.7007160E-02 Diamond 0.8707007E-03 Metallicity 0.5458347E+00 Ellipticity -0.2342013E+01 Gb(Abramov) 0.5308899E-02 Vb(Abramov) -0.3610637E-02 Hb(Abramov) 0.1698262E-02 Ex_ueg -0.8820470E-03 Ec_ueg -0.2087146E-03 Delta_ex -0.1433974E-02 Delta_ec 0.8290898E-03 Delta_et -0.4874587E-02 Pxc 0.4226091E+01 Qxc -0.1729577E+01 3,+1 113 3 -1 1.453863 -2.657210 -1.915338 Rho 0.8820843E-01 |GRAD(Rho)| 0.1217321E-15 GRAD(Rho)x 0.4396101E-16 GRAD(Rho)y 0.9911133E-16 GRAD(Rho)z -0.5534513E-16 Laplacian 0.3571682E+00 (-1/4)Del**2(Rho)) -0.8929205E-01 Diamond 0.3785930E+00 Metallicity 0.3372282E+01 Ellipticity 0.5350266E-02 Gb(Abramov) 0.1097144E+00 Vb(Abramov) -0.1301367E+00 Hb(Abramov) -0.2042231E-01 Ex_ueg -0.2900003E-01 Ec_ueg -0.4616481E-02 Delta_ex -0.3374923E-01 Delta_ec 0.1011964E-01 Delta_et -0.1223869E+00 Pxc 0.6281849E+01 Qxc -0.3335022E+01 3,-1 114 3 -1 1.502209 -2.687227 2.034326 Rho 0.8498135E-01 |GRAD(Rho)| 0.3485793E-14 GRAD(Rho)x -0.3214294E-14 GRAD(Rho)y -0.1347138E-14 GRAD(Rho)z -0.6551461E-16 Laplacian 0.3423997E+00 (-1/4)Del**2(Rho)) -0.8559992E-01 Diamond 0.3465363E+00 Metallicity 0.3305871E+01 Ellipticity 0.2141897E-02 Gb(Abramov) 0.1042303E+00 Vb(Abramov) -0.1228607E+00 Hb(Abramov) -0.1863041E-01 Ex_ueg -0.2759412E-01 Ec_ueg -0.4424647E-02 Delta_ex -0.3207022E-01 Delta_ec 0.9762986E-02 Delta_et -0.1171224E+00 Pxc 0.6236457E+01 Qxc -0.3284878E+01 3,-1 115 3 -1 3.240107 3.143011 0.042207 Rho 0.2331868E+00 |GRAD(Rho)| 0.2030494E-13 GRAD(Rho)x -0.1859222E-13 GRAD(Rho)y -0.6167809E-14 GRAD(Rho)z -0.5345835E-14 Laplacian 0.8494473E+00 (-1/4)Del**2(Rho)) -0.2123618E+00 Diamond 0.2906917E+01 Metallicity 0.7166658E+01 Ellipticity 0.5543900E-02 Gb(Abramov) 0.3952287E+00 Vb(Abramov) -0.5780955E+00 Hb(Abramov) -0.1828668E+00 Ex_ueg -0.1060044E+00 Ec_ueg -0.1396941E-01 Delta_ex -0.1018904E+00 Delta_ec 0.1897425E-01 Delta_et -0.2627503E+00 Pxc 0.7588321E+01 Qxc -0.5369928E+01 3,-1 116 3 -1 2.665734 1.880173 -0.634801 Rho 0.1370316E+00 |GRAD(Rho)| 0.1109986E-12 GRAD(Rho)x -0.9632049E-14 GRAD(Rho)y 0.1769735E-13 GRAD(Rho)z -0.1091546E-12 Laplacian 0.5783805E+00 (-1/4)Del**2(Rho)) -0.1445951E+00 Diamond 0.1053546E+01 Metallicity 0.4339444E+01 Ellipticity 0.8108423E-02 Gb(Abramov) 0.2009738E+00 Vb(Abramov) -0.2573526E+00 Hb(Abramov) -0.5637871E-01 Ex_ueg -0.5217704E-01 Ec_ueg -0.7618592E-02 Delta_ex -0.6077895E-01 Delta_ec 0.1504598E-01 Delta_et -0.1977372E+00 Pxc 0.6848646E+01 Qxc -0.4039548E+01 3,-1 117 3 -1 3.861946 -0.608196 -2.269224 Rho 0.2334203E+00 |GRAD(Rho)| 0.1344865E-13 GRAD(Rho)x -0.1419437E-14 GRAD(Rho)y 0.8346710E-14 GRAD(Rho)z -0.1044911E-13 Laplacian 0.8398662E+00 (-1/4)Del**2(Rho)) -0.2099665E+00 Diamond 0.2885499E+01 Metallicity 0.7260517E+01 Ellipticity 0.4341005E-02 Gb(Abramov) 0.3940553E+00 Vb(Abramov) -0.5781441E+00 Hb(Abramov) -0.1840888E+00 Ex_ueg -0.1061459E+00 Ec_ueg -0.1398547E-01 Delta_ex -0.1008110E+00 Delta_ec 0.1883273E-01 Delta_et -0.2611331E+00 Pxc 0.7589731E+01 Qxc -0.5352971E+01 3,-1 118 3 -1 3.905185 -0.635875 2.219105 Rho 0.2341346E+00 |GRAD(Rho)| 0.1991863E-10 GRAD(Rho)x 0.1833791E-10 GRAD(Rho)y -0.2763982E-12 GRAD(Rho)z 0.7771518E-11 Laplacian 0.8567352E+00 (-1/4)Del**2(Rho)) -0.2141838E+00 Diamond 0.2942911E+01 Metallicity 0.7153895E+01 Ellipticity 0.3413956E-02 Gb(Abramov) 0.3981639E+00 Vb(Abramov) -0.5821441E+00 Hb(Abramov) -0.1839801E+00 Ex_ueg -0.1065792E+00 Ec_ueg -0.1403460E-01 Delta_ex -0.1028550E+00 Delta_ec 0.1908203E-01 Delta_et -0.2641502E+00 Pxc 0.7594034E+01 Qxc -0.5390148E+01 3,-1 119 3 -1 0.564506 3.310596 -1.553747 Rho 0.1473486E+00 |GRAD(Rho)| 0.4155435E-15 GRAD(Rho)x 0.1618985E-15 GRAD(Rho)y -0.2888552E-15 GRAD(Rho)z -0.2510538E-15 Laplacian 0.5934637E+00 (-1/4)Del**2(Rho)) -0.1483659E+00 Diamond 0.1174950E+01 Metallicity 0.4773045E+01 Ellipticity 0.4395137E-01 Gb(Abramov) 0.2169368E+00 Vb(Abramov) -0.2855077E+00 Hb(Abramov) -0.6857091E-01 Ex_ueg -0.5747950E-01 Ec_ueg -0.8274001E-02 Delta_ex -0.6343134E-01 Delta_ec 0.1508386E-01 Delta_et -0.2002022E+00 Pxc 0.6947002E+01 Qxc -0.4205247E+01 3,-1 120 3 -1 -1.529155 2.753749 1.687635 Rho 0.2182131E+00 |GRAD(Rho)| 0.5879015E-15 GRAD(Rho)x 0.5802108E-15 GRAD(Rho)y 0.6860289E-16 GRAD(Rho)z -0.6540111E-16 Laplacian 0.8431084E+00 (-1/4)Del**2(Rho)) -0.2107771E+00 Diamond 0.2628775E+01 Metallicity 0.6464445E+01 Ellipticity 0.1870341E-01 Gb(Abramov) 0.3676109E+00 Vb(Abramov) -0.5244446E+00 Hb(Abramov) -0.1568338E+00 Ex_ueg -0.9702706E-01 Ec_ueg -0.1294607E-01 Delta_ex -0.9919336E-01 Delta_ec 0.1881771E-01 Delta_et -0.2582242E+00 Pxc 0.7494714E+01 Qxc -0.5271278E+01 3,-1 121 3 -1 -0.525835 -3.103608 -1.624484 Rho 0.2290810E+00 |GRAD(Rho)| 0.2630175E-10 GRAD(Rho)x -0.2579575E-10 GRAD(Rho)y -0.1534781E-11 GRAD(Rho)z 0.4899579E-11 Laplacian 0.8894891E+00 (-1/4)Del**2(Rho)) -0.2223723E+00 Diamond 0.2939030E+01 Metallicity 0.6644378E+01 Ellipticity 0.1411160E-01 Gb(Abramov) 0.3945024E+00 Vb(Abramov) -0.5666326E+00 Hb(Abramov) -0.1721302E+00 Ex_ueg -0.1035231E+00 Ec_ueg -0.1368758E-01 Delta_ex -0.1059722E+00 Delta_ec 0.1956164E-01 Delta_et -0.2689661E+00 Pxc 0.7563285E+01 Qxc -0.5417346E+01 3,-1 122 3 -1 -0.485820 -3.131657 1.762232 Rho 0.2293691E+00 |GRAD(Rho)| 0.3032592E-13 GRAD(Rho)x -0.1144386E-13 GRAD(Rho)y -0.1449436E-13 GRAD(Rho)z -0.2405438E-13 Laplacian 0.8873176E+00 (-1/4)Del**2(Rho)) -0.2218294E+00 Diamond 0.2938687E+01 Metallicity 0.6674603E+01 Ellipticity 0.1256117E-01 Gb(Abramov) 0.3946568E+00 Vb(Abramov) -0.5674842E+00 Hb(Abramov) -0.1728274E+00 Ex_ueg -0.1036967E+00 Ec_ueg -0.1370732E-01 Delta_ex -0.1057616E+00 Delta_ec 0.1953089E-01 Delta_et -0.2686588E+00 Pxc 0.7565057E+01 Qxc -0.5415096E+01 3,-1 123 3 -1 -1.180520 -3.163278 0.079986 Rho 0.6520083E-02 |GRAD(Rho)| 0.2450161E-17 GRAD(Rho)x 0.2631499E-18 GRAD(Rho)y -0.1169213E-17 GRAD(Rho)z -0.2137050E-17 Laplacian 0.2624364E-01 (-1/4)Del**2(Rho)) -0.6560910E-02 Diamond 0.1107466E-02 Metallicity 0.5975088E+00 Ellipticity 0.9727632E+00 Gb(Abramov) 0.5027307E-02 Vb(Abramov) -0.3493704E-02 Hb(Abramov) 0.1533603E-02 Ex_ueg -0.8996134E-03 Ec_ueg -0.2129035E-03 Delta_ex -0.1526487E-02 Delta_ec 0.1097244E-02 Delta_et -0.6346763E-02 Pxc 0.4225452E+01 Qxc -0.1391201E+01 3,-1 124 3 -1 -0.115713 2.297352 -0.865201 Rho 0.3900719E-01 |GRAD(Rho)| 0.1455298E-12 GRAD(Rho)x -0.7193530E-13 GRAD(Rho)y -0.1058482E-12 GRAD(Rho)z 0.6928488E-13 Laplacian 0.1480801E+00 (-1/4)Del**2(Rho)) -0.3702003E-01 Diamond 0.5246376E-01 Metallicity 0.2087810E+01 Ellipticity 0.1742195E-01 Gb(Abramov) 0.3756182E-01 Vb(Abramov) -0.3810360E-01 Hb(Abramov) -0.5417867E-03 Ex_ueg -0.9770377E-02 Ec_ueg -0.1816913E-02 Delta_ex -0.1139085E-01 Delta_ec 0.4302304E-02 Delta_et -0.4245674E-01 Pxc 0.5377461E+01 Qxc -0.2647617E+01 3,-1 125 3 +1 1.447002 -0.373453 2.259110 Rho 0.2567158E-01 |GRAD(Rho)| 0.8167427E-16 GRAD(Rho)x 0.6497701E-16 GRAD(Rho)y 0.9938046E-17 GRAD(Rho)z 0.4847587E-16 Laplacian 0.9950202E-01 (-1/4)Del**2(Rho)) -0.2487550E-01 Diamond 0.1319298E-01 Metallicity 0.1547161E+01 Ellipticity -0.3499673E+01 Gb(Abramov) 0.2299807E-01 Vb(Abramov) -0.2112064E-01 Hb(Abramov) 0.1877433E-02 Ex_ueg -0.5593132E-02 Ec_ueg -0.1122586E-02 Delta_ex -0.6200573E-02 Delta_ec 0.1631478E-02 Delta_et -0.1450698E-01 Pxc 0.4982364E+01 Qxc -0.3800585E+01 3,+1 126 3 +3 1.328655 -1.301438 2.603814 Rho 0.1217729E-01 |GRAD(Rho)| 0.1688783E-16 GRAD(Rho)x -0.1598462E-17 GRAD(Rho)y 0.6116343E-18 GRAD(Rho)z -0.1680089E-16 Laplacian 0.5549148E-01 (-1/4)Del**2(Rho)) -0.1387287E-01 Diamond 0.1207019E-02 Metallicity 0.8003957E+00 Ellipticity -0.5614496E+00 Gb(Abramov) 0.1109921E-01 Vb(Abramov) -0.8325551E-02 Hb(Abramov) 0.2773659E-02 Ex_ueg -0.2069122E-02 Ec_ueg -0.4677596E-03 Delta_ex -0.2437360E-02 Delta_ec 0.1831027E-03 Delta_et -0.1787449E-02 Pxc 0.4423472E+01 Qxc -0.1331143E+02 3,+3 127 3 +3 1.238983 -1.275124 -2.537390 Rho 0.1148964E-01 |GRAD(Rho)| 0.8825426E-17 GRAD(Rho)x 0.5488607E-17 GRAD(Rho)y 0.3393712E-17 GRAD(Rho)z 0.6020470E-17 Laplacian 0.5170853E-01 (-1/4)Del**2(Rho)) -0.1292713E-01 Diamond 0.1012527E-02 Metallicity 0.7796420E+00 Ellipticity -0.4680595E+00 Gb(Abramov) 0.1029784E-01 Vb(Abramov) -0.7668556E-02 Hb(Abramov) 0.2629288E-02 Ex_ueg -0.1914816E-02 Ec_ueg -0.4360607E-03 Delta_ex -0.2225060E-02 Delta_ec 0.1574775E-03 Delta_et -0.1571981E-02 Pxc 0.4391169E+01 Qxc -0.1412938E+02 3,+3 128 3 -1 3.195076 -0.774541 0.869952 Rho 0.1628564E+00 |GRAD(Rho)| 0.3196161E-14 GRAD(Rho)x -0.4305773E-15 GRAD(Rho)y -0.2825329E-14 GRAD(Rho)z -0.1430930E-14 Laplacian 0.6769650E+00 (-1/4)Del**2(Rho)) -0.1692412E+00 Diamond 0.1508519E+01 Metallicity 0.4943732E+01 Ellipticity 0.2683052E-01 Gb(Abramov) 0.2522747E+00 Vb(Abramov) -0.3353082E+00 Hb(Abramov) -0.8303349E-01 Ex_ueg -0.6568378E-01 Ec_ueg -0.9271524E-02 Delta_ex -0.7414094E-01 Delta_ec 0.1673282E-01 Delta_et -0.2249374E+00 Pxc 0.7084464E+01 Qxc -0.4430868E+01 3,-1 129 3 -1 2.911366 0.393811 -1.561776 Rho 0.1396236E+00 |GRAD(Rho)| 0.3856018E-16 GRAD(Rho)x 0.1295622E-16 GRAD(Rho)y -0.3461315E-16 GRAD(Rho)z -0.1099788E-16 Laplacian 0.5852557E+00 (-1/4)Del**2(Rho)) -0.1463139E+00 Diamond 0.1088014E+01 Metallicity 0.4424515E+01 Ellipticity 0.1349313E-01 Gb(Abramov) 0.2054373E+00 Vb(Abramov) -0.2645607E+00 Hb(Abramov) -0.5912339E-01 Ex_ueg -0.5349710E-01 Ec_ueg -0.7782622E-02 Delta_ex -0.6175663E-01 Delta_ec 0.1511029E-01 Delta_et -0.1990593E+00 Pxc 0.6873918E+01 Qxc -0.4087057E+01 3,-1 130 3 -1 2.960361 0.392669 1.579005 Rho 0.1252456E+00 |GRAD(Rho)| 0.8859433E-14 GRAD(Rho)x 0.9453836E-15 GRAD(Rho)y -0.8672750E-14 GRAD(Rho)z 0.1542471E-14 Laplacian 0.5274327E+00 (-1/4)Del**2(Rho)) -0.1318582E+00 Diamond 0.8647871E+00 Metallicity 0.4096226E+01 Ellipticity 0.7307960E-02 Gb(Abramov) 0.1779256E+00 Vb(Abramov) -0.2239930E+00 Hb(Abramov) -0.4606741E-01 Ex_ueg -0.4628091E-01 Ec_ueg -0.6878264E-02 Delta_ex -0.5426686E-01 Delta_ec 0.1407426E-01 Delta_et -0.1823938E+00 Pxc 0.6728575E+01 Qxc -0.3855753E+01 3,-1 131 3 -1 -0.595114 3.875110 -2.351724 Rho 0.2353876E+00 |GRAD(Rho)| 0.2766673E-14 GRAD(Rho)x 0.2155950E-14 GRAD(Rho)y 0.1705558E-14 GRAD(Rho)z -0.3121418E-15 Laplacian 0.8595583E+00 (-1/4)Del**2(Rho)) -0.2148896E+00 Diamond 0.2973074E+01 Metallicity 0.7194108E+01 Ellipticity 0.2583122E-02 Gb(Abramov) 0.4009162E+00 Vb(Abramov) -0.5869428E+00 Hb(Abramov) -0.1860266E+00 Ex_ueg -0.1073404E+00 Ec_ueg -0.1412085E-01 Delta_ex -0.1033454E+00 Delta_ec 0.1912902E-01 Delta_et -0.2649181E+00 Pxc 0.7601550E+01 Qxc -0.5402543E+01 3,-1 132 3 -1 -0.667333 3.564417 -0.866911 Rho 0.1569937E+00 |GRAD(Rho)| 0.5002876E-13 GRAD(Rho)x 0.6642127E-14 GRAD(Rho)y 0.3547015E-13 GRAD(Rho)z 0.3465007E-13 Laplacian 0.6291480E+00 (-1/4)Del**2(Rho)) -0.1572870E+00 Diamond 0.1347280E+01 Metallicity 0.5004155E+01 Ellipticity 0.5957224E-01 Gb(Abramov) 0.2360394E+00 Vb(Abramov) -0.3147918E+00 Hb(Abramov) -0.7875242E-01 Ex_ueg -0.6255010E-01 Ec_ueg -0.8892704E-02 Delta_ex -0.6833347E-01 Delta_ec 0.1579184E-01 Delta_et -0.2115433E+00 Pxc 0.7033867E+01 Qxc -0.4327138E+01 3,-1 133 3 -1 -0.769148 3.538052 0.761934 Rho 0.1102418E+00 |GRAD(Rho)| 0.2605477E-15 GRAD(Rho)x -0.5415675E-16 GRAD(Rho)y 0.6650903E-16 GRAD(Rho)z -0.2460258E-15 Laplacian 0.4223591E+00 (-1/4)Del**2(Rho)) -0.1055898E+00 Diamond 0.5934141E+00 Metallicity 0.4135314E+01 Ellipticity 0.2229643E-01 Gb(Abramov) 0.1431677E+00 Vb(Abramov) -0.1807456E+00 Hb(Abramov) -0.3757789E-01 Ex_ueg -0.3904033E-01 Ec_ueg -0.5949534E-02 Delta_ex -0.4215065E-01 Delta_ec 0.1159310E-01 Delta_et -0.1468367E+00 Pxc 0.6561914E+01 Qxc -0.3635841E+01 3,-1 134 3 -1 -0.759482 3.861793 2.281576 Rho 0.2181319E+00 |GRAD(Rho)| 0.9737380E-13 GRAD(Rho)x 0.1038685E-13 GRAD(Rho)y -0.7774993E-13 GRAD(Rho)z -0.5769506E-13 Laplacian 0.7932347E+00 (-1/4)Del**2(Rho)) -0.1983087E+00 Diamond 0.2513491E+01 Metallicity 0.6866628E+01 Ellipticity 0.1575192E-01 Gb(Abramov) 0.3591577E+00 Vb(Abramov) -0.5200068E+00 Hb(Abramov) -0.1608491E+00 Ex_ueg -0.9697892E-01 Ec_ueg -0.1294055E-01 Delta_ex -0.9356649E-01 Delta_ec 0.1815256E-01 Delta_et -0.2508644E+00 Pxc 0.7494189E+01 Qxc -0.5154451E+01 3,-1 135 3 -1 -0.151448 2.394696 -2.400365 Rho 0.1424562E+00 |GRAD(Rho)| 0.2509721E-16 GRAD(Rho)x 0.8334804E-18 GRAD(Rho)y 0.2329679E-16 GRAD(Rho)z -0.9297034E-17 Laplacian 0.5942919E+00 (-1/4)Del**2(Rho)) -0.1485730E+00 Diamond 0.1132520E+01 Metallicity 0.4505560E+01 Ellipticity 0.1537759E-01 Gb(Abramov) 0.2106161E+00 Vb(Abramov) -0.2726591E+00 Hb(Abramov) -0.6204308E-01 Ex_ueg -0.5494903E-01 Ec_ueg -0.7962362E-02 Delta_ex -0.6302572E-01 Delta_ec 0.1528242E-01 Delta_et -0.2019616E+00 Pxc 0.6901097E+01 Qxc -0.4124066E+01 3,-1 136 3 -1 -0.231082 2.282007 0.854783 Rho 0.3615498E-01 |GRAD(Rho)| 0.2289981E-16 GRAD(Rho)x 0.6304943E-17 GRAD(Rho)y 0.8979714E-17 GRAD(Rho)z -0.2010009E-16 Laplacian 0.1386441E+00 (-1/4)Del**2(Rho)) -0.3466102E-01 Diamond 0.4636064E-01 Metallicity 0.1964832E+01 Ellipticity 0.2022429E-01 Gb(Abramov) 0.3445786E-01 Vb(Abramov) -0.3425470E-01 Hb(Abramov) 0.2031584E-03 Ex_ueg -0.8829632E-02 Ec_ueg -0.1665244E-02 Delta_ex -0.1060292E-01 Delta_ec 0.4274349E-02 Delta_et -0.4133758E-01 Pxc 0.5302304E+01 Qxc -0.2480593E+01 3,-1 137 3 -1 -0.289008 2.399418 2.351847 Rho 0.1343120E+00 |GRAD(Rho)| 0.9793289E-16 GRAD(Rho)x 0.3422691E-16 GRAD(Rho)y -0.7729006E-16 GRAD(Rho)z 0.4945317E-16 Laplacian 0.5485550E+00 (-1/4)Del**2(Rho)) -0.1371388E+00 Diamond 0.9681594E+00 Metallicity 0.4425044E+01 Ellipticity 0.1197537E-01 Gb(Abramov) 0.1925667E+00 Vb(Abramov) -0.2479946E+00 Hb(Abramov) -0.5542792E-01 Ex_ueg -0.5080090E-01 Ec_ueg -0.7446951E-02 Delta_ex -0.5728133E-01 Delta_ec 0.1418924E-01 Delta_et -0.1856014E+00 Pxc 0.6821705E+01 Qxc -0.4036955E+01 3,-1 138 3 +1 0.271042 -1.350321 -2.314546 Rho 0.2602746E-01 |GRAD(Rho)| 0.8582173E-14 GRAD(Rho)x -0.1031285E-14 GRAD(Rho)y -0.6681039E-14 GRAD(Rho)z -0.5287141E-14 Laplacian 0.1055044E+00 (-1/4)Del**2(Rho)) -0.2637609E-01 Diamond 0.1600067E-01 Metallicity 0.1493008E+01 Ellipticity -0.7188024E+01 Gb(Abramov) 0.2414735E-01 Vb(Abramov) -0.2191861E-01 Hb(Abramov) 0.2228744E-02 Ex_ueg -0.5696752E-02 Ec_ueg -0.1140583E-02 Delta_ex -0.6778510E-02 Delta_ec 0.2050368E-02 Delta_et -0.1822483E-01 Pxc 0.4994597E+01 Qxc -0.3305997E+01 3,+1 139 3 +1 0.414161 -1.486801 2.275792 Rho 0.2455253E-01 |GRAD(Rho)| 0.2565927E-15 GRAD(Rho)x 0.1606554E-15 GRAD(Rho)y 0.1838598E-15 GRAD(Rho)z 0.7889993E-16 Laplacian 0.9133505E-01 (-1/4)Del**2(Rho)) -0.2283376E-01 Diamond 0.1099484E-01 Metallicity 0.1564838E+01 Ellipticity -0.3238321E+01 Gb(Abramov) 0.2117770E-01 Vb(Abramov) -0.1952164E-01 Hb(Abramov) 0.1656063E-02 Ex_ueg -0.5270438E-02 Ec_ueg -0.1066211E-02 Delta_ex -0.5580081E-02 Delta_ec 0.1419296E-02 Delta_et -0.1250502E-01 Pxc 0.4943147E+01 Qxc -0.3931584E+01 3,+1 140 3 -1 1.903155 3.056960 -0.703984 Rho 0.1306388E+00 |GRAD(Rho)| 0.5334926E-13 GRAD(Rho)x -0.4864987E-13 GRAD(Rho)y -0.1545287E-13 GRAD(Rho)z -0.1550946E-13 Laplacian 0.5176791E+00 (-1/4)Del**2(Rho)) -0.1294198E+00 Diamond 0.8948770E+00 Metallicity 0.4477199E+01 Ellipticity 0.1888198E-01 Gb(Abramov) 0.1828529E+00 Vb(Abramov) -0.2362860E+00 Hb(Abramov) -0.5343310E-01 Ex_ueg -0.4895700E-01 Ec_ueg -0.7215896E-02 Delta_ex -0.5382903E-01 Delta_ec 0.1371874E-01 Delta_et -0.1791149E+00 Pxc 0.6784605E+01 Qxc -0.3923759E+01 3,-1 141 3 -1 1.871704 3.100481 0.707929 Rho 0.1774360E+00 |GRAD(Rho)| 0.5490305E-15 GRAD(Rho)x 0.3426892E-15 GRAD(Rho)y -0.1417052E-15 GRAD(Rho)z -0.4048682E-15 Laplacian 0.6944331E+00 (-1/4)Del**2(Rho)) -0.1736083E+00 Diamond 0.1716237E+01 Metallicity 0.5559710E+01 Ellipticity 0.4675007E-01 Gb(Abramov) 0.2766074E+00 Vb(Abramov) -0.3796066E+00 Hb(Abramov) -0.1029992E+00 Ex_ueg -0.7363889E-01 Ec_ueg -0.1022238E-01 Delta_ex -0.7771028E-01 Delta_ec 0.1680130E-01 Delta_et -0.2281310E+00 Pxc 0.7203696E+01 Qxc -0.4625254E+01 3,-1 142 3 +3 0.506667 3.122848 -0.013792 Rho 0.1161704E-01 |GRAD(Rho)| 0.1706146E-16 GRAD(Rho)x -0.6254695E-17 GRAD(Rho)y -0.1511113E-16 GRAD(Rho)z -0.4860643E-17 Laplacian 0.5205948E-01 (-1/4)Del**2(Rho)) -0.1301487E-01 Diamond 0.1051217E-02 Metallicity 0.7887494E+00 Ellipticity -0.4701999E+00 Gb(Abramov) 0.1038749E-01 Vb(Abramov) -0.7760113E-02 Hb(Abramov) 0.2627378E-02 Ex_ueg -0.1943177E-02 Ec_ueg -0.4419191E-03 Delta_ex -0.2252306E-02 Delta_ec 0.1671119E-03 Delta_et -0.1640631E-02 Pxc 0.4397132E+01 Qxc -0.1347783E+02 3,+3 143 3 -1 1.002574 -0.090792 -3.482258 Rho 0.9665093E-01 |GRAD(Rho)| 0.8379802E-16 GRAD(Rho)x 0.6751869E-16 GRAD(Rho)y 0.4683563E-18 GRAD(Rho)z 0.4962978E-16 Laplacian 0.3897893E+00 (-1/4)Del**2(Rho)) -0.9744734E-01 Diamond 0.4621336E+00 Metallicity 0.3598542E+01 Ellipticity 0.1748773E-02 Gb(Abramov) 0.1234096E+00 Vb(Abramov) -0.1493719E+00 Hb(Abramov) -0.2596228E-01 Ex_ueg -0.3275869E-01 Ec_ueg -0.5122628E-02 Delta_ex -0.3763052E-01 Delta_ec 0.1085070E-01 Delta_et -0.1337543E+00 Pxc 0.6394899E+01 Qxc -0.3468028E+01 3,-1 144 3 -1 1.102732 -0.054027 3.478764 Rho 0.1492364E+00 |GRAD(Rho)| 0.1166891E-15 GRAD(Rho)x 0.8950089E-16 GRAD(Rho)y 0.9230118E-17 GRAD(Rho)z 0.7430173E-16 Laplacian 0.5872207E+00 (-1/4)Del**2(Rho)) -0.1468052E+00 Diamond 0.1181968E+01 Metallicity 0.4927231E+01 Ellipticity 0.4231287E-01 Gb(Abramov) 0.2184273E+00 Vb(Abramov) -0.2900494E+00 Hb(Abramov) -0.7162211E-01 Ex_ueg -0.5846347E-01 Ec_ueg -0.8394649E-02 Delta_ex -0.6297528E-01 Delta_ec 0.1490439E-01 Delta_et -0.1982343E+00 Pxc 0.6964374E+01 Qxc -0.4225285E+01 3,-1 145 3 -1 -1.330156 2.651627 -1.771318 Rho 0.1435139E+00 |GRAD(Rho)| 0.2246995E-15 GRAD(Rho)x -0.2207978E-15 GRAD(Rho)y -0.3815036E-16 GRAD(Rho)z 0.1681487E-16 Laplacian 0.5409171E+00 (-1/4)Del**2(Rho)) -0.1352293E+00 Diamond 0.1056439E+01 Metallicity 0.5011551E+01 Ellipticity 0.1121043E+00 Gb(Abramov) 0.2031043E+00 Vb(Abramov) -0.2709792E+00 Hb(Abramov) -0.6787498E-01 Ex_ueg -0.5549368E-01 Ec_ueg -0.8029609E-02 Delta_ex -0.5764258E-01 Delta_ec 0.1419470E-01 Delta_et -0.1884613E+00 Pxc 0.6911131E+01 Qxc -0.4060853E+01 3,-1 146 3 -1 2.692301 1.899625 0.746064 Rho 0.1555200E+00 |GRAD(Rho)| 0.1095414E-11 GRAD(Rho)x -0.1015232E-11 GRAD(Rho)y -0.2794042E-12 GRAD(Rho)z -0.3019417E-12 Laplacian 0.6450186E+00 (-1/4)Del**2(Rho)) -0.1612547E+00 Diamond 0.1368085E+01 Metallicity 0.4804904E+01 Ellipticity 0.2145835E-01 Gb(Abramov) 0.2366386E+00 Vb(Abramov) -0.3120226E+00 Hb(Abramov) -0.7538397E-01 Ex_ueg -0.6176846E-01 Ec_ueg -0.8797806E-02 Delta_ex -0.6991670E-01 Delta_ec 0.1626890E-01 Delta_et -0.2177604E+00 Pxc 0.7020894E+01 Qxc -0.4297566E+01 3,-1 147 3 -1 2.710831 -1.544866 2.014649 Rho 0.1793418E+00 |GRAD(Rho)| 0.1365517E-12 GRAD(Rho)x -0.2099823E-13 GRAD(Rho)y 0.1140104E-12 GRAD(Rho)z 0.7216000E-13 Laplacian 0.7045183E+00 (-1/4)Del**2(Rho)) -0.1761296E+00 Diamond 0.1759829E+01 Metallicity 0.5578578E+01 Ellipticity 0.5219961E-01 Gb(Abramov) 0.2811785E+00 Vb(Abramov) -0.3862274E+00 Hb(Abramov) -0.1050489E+00 Ex_ueg -0.7469540E-01 Ec_ueg -0.1034758E-01 Delta_ex -0.7902110E-01 Delta_ec 0.1694394E-01 Delta_et -0.2301676E+00 Pxc 0.7218631E+01 Qxc -0.4663680E+01 3,-1 148 3 -1 2.659450 -1.511942 -1.973628 Rho 0.1765788E+00 |GRAD(Rho)| 0.1215642E-13 GRAD(Rho)x -0.1118392E-13 GRAD(Rho)y -0.3108462E-14 GRAD(Rho)z 0.3610502E-14 Laplacian 0.6878643E+00 (-1/4)Del**2(Rho)) -0.1719661E+00 Diamond 0.1691727E+01 Metallicity 0.5567687E+01 Ellipticity 0.3813404E-01 Gb(Abramov) 0.2742196E+00 Vb(Abramov) -0.3764732E+00 Hb(Abramov) -0.1022535E+00 Ex_ueg -0.7316499E-01 Ec_ueg -0.1016613E-01 Delta_ex -0.7689424E-01 Delta_ec 0.1668615E-01 Delta_et -0.2265162E+00 Pxc 0.7196933E+01 Qxc -0.4608267E+01 3,-1 149 3 +1 -1.176281 -2.112755 0.072741 Rho 0.2931629E-02 |GRAD(Rho)| 0.3704978E-17 GRAD(Rho)x 0.6801526E-18 GRAD(Rho)y 0.5040574E-18 GRAD(Rho)z -0.3606962E-17 Laplacian 0.1078657E-01 (-1/4)Del**2(Rho)) -0.2696642E-02 Diamond 0.6427710E-04 Metallicity 0.3836292E+00 Ellipticity -0.1088902E+01 Gb(Abramov) 0.1970180E-02 Vb(Abramov) -0.1243718E-02 Hb(Abramov) 0.7264623E-03 Ex_ueg -0.3098826E-03 Ec_ueg -0.5901803E-04 Delta_ex -0.3749951E-03 Delta_ec 0.1417481E-03 Delta_et -0.7373376E-03 Pxc 0.5250642E+01 Qxc -0.2645504E+01 3,+1 150 3 -1 -0.016668 0.605707 0.029809 Rho 0.1886368E+00 |GRAD(Rho)| 0.8259153E-16 GRAD(Rho)x 0.7864758E-16 GRAD(Rho)y 0.2494552E-16 GRAD(Rho)z -0.3693288E-17 Laplacian 0.5769754E+00 (-1/4)Del**2(Rho)) -0.1442439E+00 Diamond 0.1703666E+01 Metallicity 0.7410256E+01 Ellipticity 0.7415934E-02 Gb(Abramov) 0.2743099E+00 Vb(Abramov) -0.4043759E+00 Hb(Abramov) -0.1300660E+00 Ex_ueg -0.7990125E-01 Ec_ueg -0.1096121E-01 Delta_ex -0.6681125E-01 Delta_ec 0.1594785E-01 Delta_et -0.2249522E+00 Pxc 0.7289456E+01 Qxc -0.4189357E+01 3,-1 151 3 -1 0.009469 0.878942 -3.246807 Rho 0.1355472E+00 |GRAD(Rho)| 0.4112328E-15 GRAD(Rho)x 0.2608861E-18 GRAD(Rho)y 0.3806905E-15 GRAD(Rho)z 0.1555220E-15 Laplacian 0.5576959E+00 (-1/4)Del**2(Rho)) -0.1394240E+00 Diamond 0.1009494E+01 Metallicity 0.4419434E+01 Ellipticity 0.1174471E-01 Gb(Abramov) 0.1956452E+00 Vb(Abramov) -0.2518663E+00 Hb(Abramov) -0.5622118E-01 Ex_ueg -0.5142478E-01 Ec_ueg -0.7524848E-02 Delta_ex -0.5852862E-01 Delta_ec 0.1468519E-01 Delta_et -0.1929443E+00 Pxc 0.6833996E+01 Qxc -0.3985554E+01 3,-1 152 3 -1 0.272632 -2.483847 -2.671683 Rho 0.1314001E+00 |GRAD(Rho)| 0.4989564E-14 GRAD(Rho)x 0.7004522E-15 GRAD(Rho)y -0.3093351E-14 GRAD(Rho)z 0.3851791E-14 Laplacian 0.5111541E+00 (-1/4)Del**2(Rho)) -0.1277885E+00 Diamond 0.8945156E+00 Metallicity 0.4578475E+01 Ellipticity 0.2901398E-01 Gb(Abramov) 0.1827051E+00 Vb(Abramov) -0.2376217E+00 Hb(Abramov) -0.5491660E-01 Ex_ueg -0.4933776E-01 Ec_ueg -0.7263710E-02 Delta_ex -0.5328117E-01 Delta_ec 0.1362739E-01 Delta_et -0.1782792E+00 Pxc 0.6792363E+01 Qxc -0.3909857E+01 3,-1 153 3 -1 0.339281 -2.496262 2.763623 Rho 0.1313012E+00 |GRAD(Rho)| 0.3403146E-15 GRAD(Rho)x 0.5198411E-16 GRAD(Rho)y -0.2322903E-15 GRAD(Rho)z -0.2432137E-15 Laplacian 0.5102943E+00 (-1/4)Del**2(Rho)) -0.1275736E+00 Diamond 0.8908465E+00 Metallicity 0.4580436E+01 Ellipticity 0.2532649E-01 Gb(Abramov) 0.1824395E+00 Vb(Abramov) -0.2373054E+00 Hb(Abramov) -0.5486591E-01 Ex_ueg -0.4928823E-01 Ec_ueg -0.7257494E-02 Delta_ex -0.5316577E-01 Delta_ec 0.1357809E-01 Delta_et -0.1775587E+00 Pxc 0.6791357E+01 Qxc -0.3915555E+01 3,-1 154 3 -1 3.168454 -0.752128 -0.891868 Rho 0.1149643E+00 |GRAD(Rho)| 0.1207692E-13 GRAD(Rho)x -0.1617967E-14 GRAD(Rho)y 0.7987538E-15 GRAD(Rho)z -0.1194136E-13 Laplacian 0.4828103E+00 (-1/4)Del**2(Rho)) -0.1207026E+00 Diamond 0.7156135E+00 Metallicity 0.3879492E+01 Ellipticity 0.1272401E-01 Gb(Abramov) 0.1585125E+00 Vb(Abramov) -0.1963224E+00 Hb(Abramov) -0.3780991E-01 Ex_ueg -0.4128595E-01 Ec_ueg -0.6240128E-02 Delta_ex -0.4869364E-01 Delta_ec 0.1318026E-01 Delta_et -0.1683169E+00 Pxc 0.6616202E+01 Qxc -0.3694438E+01 3,-1 155 3 -1 0.684695 -3.162418 -0.810070 Rho 0.1366008E+00 |GRAD(Rho)| 0.1659535E-15 GRAD(Rho)x 0.7109656E-16 GRAD(Rho)y 0.8202667E-17 GRAD(Rho)z 0.1497283E-15 Laplacian 0.5641072E+00 (-1/4)Del**2(Rho)) -0.1410268E+00 Diamond 0.1030539E+01 Metallicity 0.4425955E+01 Ellipticity 0.6368546E-02 Gb(Abramov) 0.1980476E+00 Vb(Abramov) -0.2550684E+00 Hb(Abramov) -0.5702078E-01 Ex_ueg -0.5195844E-01 Ec_ueg -0.7591371E-02 Delta_ex -0.5931132E-01 Delta_ec 0.1482431E-01 Delta_et -0.1950063E+00 Pxc 0.6844408E+01 Qxc -0.4000950E+01 3,-1 156 3 -1 0.705942 -3.181267 0.918456 Rho 0.1453528E+00 |GRAD(Rho)| 0.4735781E-09 GRAD(Rho)x 0.1172330E-09 GRAD(Rho)y -0.4392434E-10 GRAD(Rho)z -0.4567311E-09 Laplacian 0.5979321E+00 (-1/4)Del**2(Rho)) -0.1494830E+00 Diamond 0.1173776E+01 Metallicity 0.4630915E+01 Ellipticity 0.6813193E-02 Gb(Abramov) 0.2150292E+00 Vb(Abramov) -0.2805754E+00 Hb(Abramov) -0.6554619E-01 Ex_ueg -0.5644378E-01 Ec_ueg -0.8146691E-02 Delta_ex -0.6379134E-01 Delta_ec 0.1541956E-01 Delta_et -0.2046375E+00 Pxc 0.6928431E+01 Qxc -0.4137039E+01 3,-1 157 3 -1 -1.767981 -0.251406 2.084845 Rho 0.2881882E+00 |GRAD(Rho)| 0.1840710E-15 GRAD(Rho)x 0.1415946E-15 GRAD(Rho)y 0.3360470E-16 GRAD(Rho)z -0.1127113E-15 Laplacian -0.1378165E+01 (-1/4)Del**2(Rho)) 0.3445413E+00 Diamond 0.4526891E+01 Metallicity -0.6286934E+01 Ellipticity 0.1007171E-02 Gb(Abramov) 0.1313239E+00 Vb(Abramov) -0.6071890E+00 Hb(Abramov) -0.4758652E+00 Ex_ueg -0.1405896E+00 Ec_ueg -0.1783382E-01 Delta_ex 0.1305252E+00 Delta_ec 0.5019380E-01 Delta_et -0.1134074E+01 Pxc 0.7883317E+01 Qxc 0.2600425E+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 67 110 155 121 113 152 107 71 136 120 137 133 109 134 89 128 130 147 95 118 64 151 102 143 72 115 82 116 146 140 141 77 75 103 62 69 144 111 122 156 153 114 108 91 129 154 93 148 117 124 135 145 131 119 132 65 55 49 50 104 56 150 74 123 52 157 98 47 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 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1.752794 2.455314 1.954938 1.791418 2.099371 1.936917 1.754466 2.504305 1.949912 1.900216 1.978060 1.860113 1.748283 2.399630 1.922246 1.958284 1.936287 1.926673 2.523063 1.759987 1.925872 1.977083 2.153128 1.760641 2.615623 1.942277 2.018208 1.867392 1.861306 1.754299 2.480650 1.934612 1.950587 1.750779 1.929599 1.904675 1.587132 3.274558 3.299431 3.132432 1.513591 1.615469 1.591334 1.605800 3.125818 3.002528 1.027239 1.006646 1.700420 28 23 21 27 24 22 22 29 21 23 24 25 25 29 23 23 22 23 22 27 23 22 25 23 22 29 25 23 23 22 23 29 23 26 23 25 29 21 23 25 25 22 29 23 25 24 22 22 29 27 23 21 23 25 21 35 35 35 21 24 21 21 33 34 18 19 24 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 W O Mo W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.3457 -0.8529 2.1920 2.4410 2.3582 2.4315 2.4147 -0.8468 -0.8243 2.3357 2.4059 2.4102 -1.0452 -0.8905 -1.0395 -1.0653 -0.8113 -0.9806 -0.7978 -0.9785 -0.8188 -0.9708 -0.7347 -0.9931 -0.9515 -0.8176 -0.9716 -0.8769 -0.9787 -0.8320 -0.9859 -0.9890 -0.9772 -0.9610 -0.9706 2.2154 -0.8593 -0.9837 -1.0085 -0.9579 -0.8602 -0.8493 -0.7833 -0.8401 0.2751 0.2791 2.1319 1.9548 2.0071 2.0984 2.1251 2.0963 2.1093 1.9561 1.9586 2.1307 2.1037 2.1110 1.8972 1.9077 1.8963 1.8964 1.9571 1.9289 1.8769 1.9291 1.8744 1.9309 1.9696 1.9292 1.9320 1.9567 1.9307 1.9532 1.9388 1.9572 1.9378 1.9362 1.9399 1.9400 1.9416 2.5594 1.9546 1.9382 1.9364 1.9419 1.9538 1.9564 1.9650 1.9569 0.5516 0.5587 6.1167 4.8659 6.1134 6.0927 6.1191 6.0991 6.1092 4.8579 4.8320 6.1196 6.1054 6.1151 5.1110 4.9413 5.1066 5.1310 4.8215 5.0219 4.8906 5.0209 4.9140 5.0102 4.7347 5.0344 4.9929 4.8285 5.0113 4.8916 5.0096 4.8415 5.0168 5.0212 5.0079 4.9923 4.9992 7.4117 4.8728 5.0147 5.0411 4.9878 4.8746 4.8600 4.7889 4.8501 0.1733 0.1621 3.3770 0.0322 3.6874 3.3382 3.3686 3.3433 3.3375 0.0328 0.0337 3.3854 3.3555 3.3343 0.0371 0.0414 0.0367 0.0380 0.0328 0.0297 0.0303 0.0285 0.0304 0.0297 0.0304 0.0294 0.0265 0.0324 0.0297 0.0322 0.0303 0.0333 0.0313 0.0316 0.0293 0.0288 0.0298 0.8136 0.0320 0.0308 0.0311 0.0281 0.0317 0.0329 0.0295 0.0331 0.0000 0.0000 14.0288 0.0000 0.0000 14.0297 14.0291 14.0299 14.0293 0.0000 0.0000 14.0286 14.0295 14.0294 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 W O Mo W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H 2.478582 -0.904492 3.141449 2.503107 2.482670 2.503194 2.508317 -0.893823 -0.866262 2.467792 2.492722 2.507366 -1.027966 -0.847034 -1.065729 -1.034037 -0.873836 -0.978994 -0.653468 -0.991273 -0.664927 -0.978905 -1.016295 -0.989733 -1.107507 -0.880579 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-0.800596 -0.843579 -0.871226 -0.927183 -0.809242 -0.777980 -0.845325 -0.763901 0.364751 0.346868 -20.92091194 -0.04446769 2.04677080 21.02084214 71.64394431 16.07720347 -0.12067766 -44.12214537 0.85559166 -27.52179893 -321.6406 352.2785 -14.6298 -356.7816 -61.1222 -401.8957 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 0 Mar21-2024 05:18:24 Nodes: 1 Procs: 1 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Mar21-2024 05:18:25 Nodes: 1 Procs: 1 Mar21-2024 05:18:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar21-2024 05:18:27 Nodes: 1 Procs: 1 Mar21-2024 05:18:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar21-2024 05:18:30 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -14.06577309 -14.46364482 -14.57215337 -14.68495133 -14.71385086 -14.73242664 -14.73938410 -14.74250917 -14.74876782 -14.75040454 -14.75291352 -14.75418282 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