ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 05:08:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.38 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 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 05:08:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.63 0.02 0.69 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 0 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 05:08:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.02 0.47 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 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 0 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 05:08:10 Hydrogen (TZP) kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 kimik2218 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.17 0.05 1.26 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 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 0 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Mar03-2024 05:08:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar03-2024 05:08:13 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2273.4611999999997 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484.7656 485.1543 485.2122 485.5438 485.6129 485.6155 485.9974 486.0276 486.0731 486.1778 486.6948 486.7614 487.0249 487.1329 487.3183 488.6787 488.7767 488.8024 489.1267 489.1428 489.8023 489.8701 489.9078 490.0095 924.1965 924.3768 926.3777 929.2323 930.1244 930.7278 931.5670 933.0880 934.5575 935.5427 936.0159 936.8097 938.0725 941.0156 941.4458 943.4881 943.9557 944.1800 945.7713 948.7218 950.5771 950.9093 952.7229 952.9895 956.5205 958.7188 960.0657 961.8128 963.2130 968.7541 970.4056 980.5189 983.9379 986.4188 82902.7027 82918.2444 82918.5365 82919.1825 82927.7424 82927.9824 82934.8673 82940.2641 82944.0875 0.00000000054735 0.00044808266173 0.00031279716499 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 74 74 74 74 74 74 74 74 74 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 33 1 1 0.451151 -3.088871 -1.878101 -0.480761 3.087729 1.723579 3.057565 -0.636943 1.916208 -0.032229 -0.153924 -3.634007 2.499116 2.557953 0.000000 -0.032229 -0.153924 3.634007 0.451151 -3.088871 1.878101 3.057565 -0.636943 -1.916208 -0.480761 3.087729 -1.723579 0.038565 0.136351 -5.370391 3.884253 3.626784 0.000000 0.038565 0.136351 5.370391 0.455005 -0.782541 -1.383118 -1.993811 -0.022160 0.000000 0.226128 1.591903 0.000000 0.455005 -0.782541 1.383118 -1.287428 -3.202651 1.623105 0.064498 1.695115 -2.923471 -1.762395 -0.283750 3.311451 2.930095 1.320929 -1.325824 -2.206611 2.208261 -1.585692 3.294191 -0.854776 0.000000 -2.206611 2.208261 1.585692 0.917441 -3.269543 0.000000 0.064498 1.695115 2.923471 -1.287428 -3.202651 -1.623105 2.930095 1.320929 1.325824 -1.762395 -0.283750 -3.311451 2.083410 -0.071959 -3.398240 -0.907117 4.385883 -2.811355 1.359643 3.503869 -1.341655 0.304242 -2.076959 3.567493 2.514038 -2.390591 -2.063894 -0.882038 3.943854 0.000000 2.514038 -2.390591 2.063894 0.872927 -4.680700 2.508115 2.083410 -0.071959 3.398240 0.304242 -2.076959 -3.567493 1.359643 3.503869 1.341655 0.872927 -4.680700 -2.508115 4.708237 -0.675406 -2.509580 -0.907117 4.385883 2.811355 4.708237 -0.675406 2.509580 -0.312095 -0.075469 0.000000 -2.223420 1.327346 1.104775 -2.223420 1.327346 -1.104775 1 3 -3 0.451151 -3.088871 -1.878101 Rho 0.4361415E+07 3,-3 2 3 -3 -0.480761 3.087729 1.723579 Rho 0.4361415E+07 3,-3 3 3 -3 3.057565 -0.636943 1.916208 Rho 0.4361415E+07 3,-3 4 3 -3 -0.032229 -0.153924 -3.634007 Rho 0.4361415E+07 3,-3 5 3 -3 2.499116 2.557953 0.000000 Rho 0.4361415E+07 3,-3 6 3 -3 -0.032229 -0.153924 3.634007 Rho 0.4361415E+07 3,-3 7 3 -3 0.451151 -3.088871 1.878101 Rho 0.4361415E+07 3,-3 8 3 -3 3.057565 -0.636943 -1.916208 Rho 0.4361415E+07 3,-3 9 3 -3 -0.480761 3.087729 -1.723579 Rho 0.4361415E+07 3,-3 10 3 -3 0.038565 0.136351 -5.370391 Rho 0.3192125E+03 3,-3 11 3 -3 3.884253 3.626784 0.000000 Rho 0.3192568E+03 3,-3 12 3 -3 0.038565 0.136351 5.370391 Rho 0.3192125E+03 3,-3 13 3 -3 0.455005 -0.782541 -1.383118 Rho 0.3190342E+03 3,-3 14 3 -3 -1.993811 -0.022160 0.000000 Rho 0.3192268E+03 3,-3 15 3 -3 0.226128 1.591903 0.000000 Rho 0.3189814E+03 3,-3 16 3 -3 0.455005 -0.782541 1.383118 Rho 0.3190342E+03 3,-3 17 3 -3 -1.287428 -3.202651 1.623105 Rho 0.3192523E+03 3,-3 18 3 -3 0.064498 1.695115 -2.923471 Rho 0.3188313E+03 3,-3 19 3 -3 -1.762395 -0.283750 3.311451 Rho 0.3192547E+03 3,-3 20 3 -3 2.930095 1.320929 -1.325824 Rho 0.3189074E+03 3,-3 21 3 -3 -2.206611 2.208261 -1.585692 Rho 0.3187085E+03 3,-3 22 3 -3 3.294191 -0.854776 0.000000 Rho 0.3188369E+03 3,-3 23 3 -3 -2.206611 2.208261 1.585692 Rho 0.3187084E+03 3,-3 24 3 -3 0.917441 -3.269543 0.000000 Rho 0.3188015E+03 3,-3 25 3 -3 0.064498 1.695115 2.923471 Rho 0.3188313E+03 3,-3 26 3 -3 -1.287428 -3.202651 -1.623105 Rho 0.3192523E+03 3,-3 27 3 -3 2.930095 1.320929 1.325824 Rho 0.3189074E+03 3,-3 28 3 -3 -1.762395 -0.283750 -3.311451 Rho 0.3192547E+03 3,-3 29 3 -3 2.083410 -0.071959 -3.398240 Rho 0.3189788E+03 3,-3 30 3 -3 -0.907117 4.385883 -2.811355 Rho 0.3192730E+03 3,-3 31 3 -3 1.359643 3.503869 -1.341655 Rho 0.3189353E+03 3,-3 32 3 -3 0.304242 -2.076959 3.567493 Rho 0.3188895E+03 3,-3 33 3 -3 2.514038 -2.390591 -2.063894 Rho 0.3190075E+03 3,-3 34 3 -3 -0.882038 3.943854 0.000000 Rho 0.3189323E+03 3,-3 35 3 -3 2.514038 -2.390591 2.063894 Rho 0.3190075E+03 3,-3 36 3 -3 0.872927 -4.680700 2.508115 Rho 0.3192069E+03 3,-3 37 3 -3 2.083410 -0.071959 3.398240 Rho 0.3189787E+03 3,-3 38 3 -3 0.304242 -2.076959 -3.567493 Rho 0.3188895E+03 3,-3 39 3 -3 1.359643 3.503869 1.341655 Rho 0.3189353E+03 3,-3 40 3 -3 0.872927 -4.680700 -2.508115 Rho 0.3192069E+03 3,-3 41 3 -3 4.708237 -0.675406 -2.509580 Rho 0.3192305E+03 3,-3 42 3 -3 -0.907117 4.385883 2.811355 Rho 0.3192730E+03 3,-3 43 3 -3 4.708237 -0.675406 2.509580 Rho 0.3192305E+03 3,-3 44 3 -3 -0.312095 -0.075469 0.000000 Rho 0.4276100E+05 3,-3 45 3 -3 -2.223420 1.327346 1.104775 Rho 0.4331760E+00 3,-3 46 3 -3 -2.223420 1.327346 -1.104775 Rho 0.4331753E+00 3,-3 47 3 +1 -0.341549 2.732540 -0.000000 Rho 0.2813694E-01 |GRAD(Rho)| 0.3854709E-14 GRAD(Rho)x -0.1371916E-14 GRAD(Rho)y 0.3509818E-14 GRAD(Rho)z -0.8110524E-15 Laplacian 0.1098560E+00 (-1/4)Del**2(Rho)) -0.2746401E-01 Diamond 0.1714853E-01 Metallicity 0.1632742E+01 Ellipticity -0.5173058E+01 Gb(Abramov) 0.2578294E-01 Vb(Abramov) -0.2410188E-01 Hb(Abramov) 0.1681064E-02 Ex_ueg -0.6320542E-02 Ec_ueg -0.1247915E-02 Delta_ex -0.7074739E-02 Delta_ec 0.1903963E-02 Delta_et -0.1728904E-01 Pxc 0.5064881E+01 Qxc -0.3715796E+01 3,+1 48 3 -1 -0.687130 3.524832 -0.800467 Rho 0.1357199E+00 |GRAD(Rho)| 0.3468819E-13 GRAD(Rho)x 0.2206818E-13 GRAD(Rho)y 0.2130476E-13 GRAD(Rho)z 0.1619794E-13 Laplacian 0.5265817E+00 (-1/4)Del**2(Rho)) -0.1316454E+00 Diamond 0.9475170E+00 Metallicity 0.4690510E+01 Ellipticity 0.3894362E-01 Gb(Abramov) 0.1906777E+00 Vb(Abramov) -0.2497099E+00 Hb(Abramov) -0.5903223E-01 Ex_ueg -0.5151217E-01 Ec_ueg -0.7535749E-02 Delta_ex -0.5519930E-01 Delta_ec 0.1371704E-01 Delta_et -0.1799762E+00 Pxc 0.6835707E+01 Qxc -0.4024140E+01 3,-1 49 3 -1 -0.687130 3.524832 0.800467 Rho 0.1357199E+00 |GRAD(Rho)| 0.4258605E-15 GRAD(Rho)x 0.6162673E-16 GRAD(Rho)y -0.1894914E-15 GRAD(Rho)z 0.3763672E-15 Laplacian 0.5265817E+00 (-1/4)Del**2(Rho)) -0.1316454E+00 Diamond 0.9475170E+00 Metallicity 0.4690510E+01 Ellipticity 0.3894362E-01 Gb(Abramov) 0.1906777E+00 Vb(Abramov) -0.2497099E+00 Hb(Abramov) -0.5903223E-01 Ex_ueg -0.5151217E-01 Ec_ueg -0.7535749E-02 Delta_ex -0.5519930E-01 Delta_ec 0.1371704E-01 Delta_et -0.1799762E+00 Pxc 0.6835707E+01 Qxc -0.4024140E+01 3,-1 50 3 -1 -0.132570 2.293604 -0.843569 Rho 0.4882363E-01 |GRAD(Rho)| 0.4099944E-10 GRAD(Rho)x 0.3625843E-11 GRAD(Rho)y -0.3459594E-10 GRAD(Rho)z 0.2170088E-10 Laplacian 0.1894478E+00 (-1/4)Del**2(Rho)) -0.4736194E-01 Diamond 0.9112919E-01 Metallicity 0.2372323E+01 Ellipticity 0.1185213E-01 Gb(Abramov) 0.5030093E-01 Vb(Abramov) -0.5323992E-01 Hb(Abramov) -0.2938989E-02 Ex_ueg -0.1317928E-01 Ec_ueg -0.2349952E-02 Delta_ex -0.1541855E-01 Delta_ec 0.5498967E-02 Delta_et -0.5758666E-01 Pxc 0.5608319E+01 Qxc -0.2803900E+01 3,-1 51 3 -1 -0.710996 3.789150 -2.310272 Rho 0.2375751E+00 |GRAD(Rho)| 0.2265884E-13 GRAD(Rho)x 0.5930857E-14 GRAD(Rho)y -0.1816678E-13 GRAD(Rho)z 0.1217440E-13 Laplacian 0.8838919E+00 (-1/4)Del**2(Rho)) -0.2209730E+00 Diamond 0.3073811E+01 Metallicity 0.7104753E+01 Ellipticity 0.5410144E-02 Gb(Abramov) 0.4089751E+00 Vb(Abramov) -0.5969772E+00 Hb(Abramov) -0.1880021E+00 Ex_ueg -0.1086725E+00 Ec_ueg -0.1427165E-01 Delta_ex -0.1064323E+00 Delta_ec 0.1944703E-01 Delta_et -0.2686785E+00 Pxc 0.7614572E+01 Qxc -0.5472935E+01 3,-1 52 3 -1 -0.710996 3.789150 2.310272 Rho 0.2375751E+00 |GRAD(Rho)| 0.3193716E-16 GRAD(Rho)x -0.2564138E-16 GRAD(Rho)y 0.1452831E-16 GRAD(Rho)z 0.1230569E-16 Laplacian 0.8838919E+00 (-1/4)Del**2(Rho)) -0.2209730E+00 Diamond 0.3073811E+01 Metallicity 0.7104753E+01 Ellipticity 0.5410144E-02 Gb(Abramov) 0.4089751E+00 Vb(Abramov) -0.5969772E+00 Hb(Abramov) -0.1880021E+00 Ex_ueg -0.1086725E+00 Ec_ueg -0.1427165E-01 Delta_ex -0.1064323E+00 Delta_ec 0.1944703E-01 Delta_et -0.2686785E+00 Pxc 0.7614572E+01 Qxc -0.5472935E+01 3,-1 53 3 -1 -0.132570 2.293604 0.843569 Rho 0.4882363E-01 |GRAD(Rho)| 0.4099940E-10 GRAD(Rho)x 0.3625850E-11 GRAD(Rho)y -0.3459593E-10 GRAD(Rho)z -0.2170083E-10 Laplacian 0.1894478E+00 (-1/4)Del**2(Rho)) -0.4736194E-01 Diamond 0.9112919E-01 Metallicity 0.2372323E+01 Ellipticity 0.1185213E-01 Gb(Abramov) 0.5030093E-01 Vb(Abramov) -0.5323992E-01 Hb(Abramov) -0.2938989E-02 Ex_ueg -0.1317928E-01 Ec_ueg -0.2349952E-02 Delta_ex -0.1541855E-01 Delta_ec 0.5498967E-02 Delta_et -0.5758666E-01 Pxc 0.5608319E+01 Qxc -0.2803900E+01 3,-1 54 3 +3 1.162882 1.000232 1.631087 Rho 0.3969065E-02 |GRAD(Rho)| 0.1934785E-17 GRAD(Rho)x 0.6939780E-18 GRAD(Rho)y 0.1096586E-17 GRAD(Rho)z 0.1435021E-17 Laplacian 0.1614493E-01 (-1/4)Del**2(Rho)) -0.4036234E-02 Diamond 0.1086549E-03 Metallicity 0.4246755E+00 Ellipticity -0.2585973E+00 Gb(Abramov) 0.2976504E-02 Vb(Abramov) -0.1916774E-02 Hb(Abramov) 0.1059730E-02 Ex_ueg -0.4641261E-03 Ec_ueg -0.1028209E-03 Delta_ex -0.5568065E-03 Delta_ec 0.1307199E-03 Delta_et -0.8178478E-03 Pxc 0.4513930E+01 Qxc -0.4259537E+01 3,+3 55 3 +3 1.162882 1.000232 -1.631087 Rho 0.3969065E-02 |GRAD(Rho)| 0.2979908E-17 GRAD(Rho)x -0.8529821E-18 GRAD(Rho)y -0.4006818E-18 GRAD(Rho)z -0.2826965E-17 Laplacian 0.1614493E-01 (-1/4)Del**2(Rho)) -0.4036234E-02 Diamond 0.1086549E-03 Metallicity 0.4246755E+00 Ellipticity -0.2585973E+00 Gb(Abramov) 0.2976504E-02 Vb(Abramov) -0.1916774E-02 Hb(Abramov) 0.1059730E-02 Ex_ueg -0.4641261E-03 Ec_ueg -0.1028209E-03 Delta_ex -0.5568065E-03 Delta_ec 0.1307199E-03 Delta_et -0.8178478E-03 Pxc 0.4513930E+01 Qxc -0.4259537E+01 3,+3 56 3 +1 0.330220 -1.388793 2.460278 Rho 0.2939443E-01 |GRAD(Rho)| 0.2895039E-15 GRAD(Rho)x -0.2870993E-15 GRAD(Rho)y 0.1362284E-17 GRAD(Rho)z -0.3721059E-16 Laplacian 0.1200954E+00 (-1/4)Del**2(Rho)) -0.3002385E-01 Diamond 0.2109400E-01 Metallicity 0.1606431E+01 Ellipticity -0.8412910E+01 Gb(Abramov) 0.2805444E-01 Vb(Abramov) -0.2608503E-01 Hb(Abramov) 0.1969411E-02 Ex_ueg -0.6699954E-02 Ec_ueg -0.1312414E-02 Delta_ex -0.7929090E-02 Delta_ec 0.2266332E-02 Delta_et -0.2077783E-01 Pxc 0.5105062E+01 Qxc -0.3498644E+01 3,+1 57 3 -1 0.149724 -1.172370 3.579161 Rho 0.1397092E+00 |GRAD(Rho)| 0.8486123E-13 GRAD(Rho)x 0.2322591E-13 GRAD(Rho)y -0.8096342E-13 GRAD(Rho)z 0.1033972E-13 Laplacian 0.5352485E+00 (-1/4)Del**2(Rho)) -0.1338121E+00 Diamond 0.1005372E+01 Metallicity 0.4842832E+01 Ellipticity 0.4125410E-01 Gb(Abramov) 0.1972130E+00 Vb(Abramov) -0.2606139E+00 Hb(Abramov) -0.6340090E-01 Ex_ueg -0.5354083E-01 Ec_ueg -0.7788045E-02 Delta_ex -0.5659329E-01 Delta_ec 0.1400466E-01 Delta_et -0.1849006E+00 Pxc 0.6874746E+01 Qxc -0.4041033E+01 3,-1 58 3 +1 0.330220 -1.388793 -2.460278 Rho 0.2939443E-01 |GRAD(Rho)| 0.2642737E-15 GRAD(Rho)x -0.2147712E-15 GRAD(Rho)y 0.1537734E-15 GRAD(Rho)z 0.8223152E-17 Laplacian 0.1200954E+00 (-1/4)Del**2(Rho)) -0.3002385E-01 Diamond 0.2109400E-01 Metallicity 0.1606431E+01 Ellipticity -0.8412910E+01 Gb(Abramov) 0.2805444E-01 Vb(Abramov) -0.2608503E-01 Hb(Abramov) 0.1969411E-02 Ex_ueg -0.6699954E-02 Ec_ueg -0.1312414E-02 Delta_ex -0.7929090E-02 Delta_ec 0.2266332E-02 Delta_et -0.2077783E-01 Pxc 0.5105062E+01 Qxc -0.3498644E+01 3,+1 59 3 -1 0.149724 -1.172370 -3.579161 Rho 0.1397092E+00 |GRAD(Rho)| 0.1458722E-15 GRAD(Rho)x -0.1009629E-15 GRAD(Rho)y 0.9031404E-16 GRAD(Rho)z -0.5411609E-16 Laplacian 0.5352485E+00 (-1/4)Del**2(Rho)) -0.1338121E+00 Diamond 0.1005372E+01 Metallicity 0.4842832E+01 Ellipticity 0.4125410E-01 Gb(Abramov) 0.1972130E+00 Vb(Abramov) -0.2606139E+00 Hb(Abramov) -0.6340090E-01 Ex_ueg -0.5354083E-01 Ec_ueg -0.7788045E-02 Delta_ex -0.5659329E-01 Delta_ec 0.1400466E-01 Delta_et -0.1849006E+00 Pxc 0.6874746E+01 Qxc -0.4041033E+01 3,-1 60 3 +1 1.504178 1.364475 -2.168710 Rho 0.5080973E-02 |GRAD(Rho)| 0.2457739E-16 GRAD(Rho)x 0.1996864E-16 GRAD(Rho)y -0.2531431E-17 GRAD(Rho)z 0.1410295E-16 Laplacian 0.2056482E-01 (-1/4)Del**2(Rho)) -0.5141204E-02 Diamond 0.5016909E-03 Metallicity 0.5031913E+00 Ellipticity -0.3486198E+01 Gb(Abramov) 0.3858637E-02 Vb(Abramov) -0.2576071E-02 Hb(Abramov) 0.1282566E-02 Ex_ueg -0.6451305E-03 Ec_ueg -0.1503990E-03 Delta_ex -0.1036226E-02 Delta_ec 0.6664721E-03 Delta_et -0.3629376E-02 Pxc 0.4289458E+01 Qxc -0.1554794E+01 3,+1 61 3 -1 0.201594 -0.458692 -2.459307 Rho 0.4805653E-01 |GRAD(Rho)| 0.6505535E-16 GRAD(Rho)x -0.1975376E-16 GRAD(Rho)y 0.4287744E-16 GRAD(Rho)z -0.4476061E-16 Laplacian 0.1883274E+00 (-1/4)Del**2(Rho)) -0.4708185E-01 Diamond 0.9040246E-01 Metallicity 0.2324272E+01 Ellipticity 0.1279407E-01 Gb(Abramov) 0.4962641E-01 Vb(Abramov) -0.5217097E-01 Hb(Abramov) -0.2544558E-02 Ex_ueg -0.1290392E-01 Ec_ueg -0.2307731E-02 Delta_ex -0.1534537E-01 Delta_ec 0.5608462E-02 Delta_et -0.5852804E-01 Pxc 0.5591604E+01 Qxc -0.2736110E+01 3,-1 62 3 -1 0.201594 -0.458692 2.459307 Rho 0.4805653E-01 |GRAD(Rho)| 0.3891545E-16 GRAD(Rho)x -0.3142175E-17 GRAD(Rho)y 0.6795534E-17 GRAD(Rho)z -0.3818848E-16 Laplacian 0.1883274E+00 (-1/4)Del**2(Rho)) -0.4708185E-01 Diamond 0.9040246E-01 Metallicity 0.2324272E+01 Ellipticity 0.1279407E-01 Gb(Abramov) 0.4962641E-01 Vb(Abramov) -0.5217097E-01 Hb(Abramov) -0.2544558E-02 Ex_ueg -0.1290392E-01 Ec_ueg -0.2307731E-02 Delta_ex -0.1534537E-01 Delta_ec 0.5608462E-02 Delta_et -0.5852804E-01 Pxc 0.5591604E+01 Qxc -0.2736110E+01 3,-1 63 3 +1 1.504178 1.364475 2.168710 Rho 0.5080973E-02 |GRAD(Rho)| 0.8002533E-17 GRAD(Rho)x 0.6829148E-17 GRAD(Rho)y -0.2253103E-17 GRAD(Rho)z -0.3510953E-17 Laplacian 0.2056482E-01 (-1/4)Del**2(Rho)) -0.5141204E-02 Diamond 0.5016909E-03 Metallicity 0.5031913E+00 Ellipticity -0.3486198E+01 Gb(Abramov) 0.3858637E-02 Vb(Abramov) -0.2576071E-02 Hb(Abramov) 0.1282566E-02 Ex_ueg -0.6451305E-03 Ec_ueg -0.1503990E-03 Delta_ex -0.1036226E-02 Delta_ec 0.6664721E-03 Delta_et -0.3629376E-02 Pxc 0.4289458E+01 Qxc -0.1554794E+01 3,+1 64 3 +1 0.060666 0.862711 1.552352 Rho 0.8722694E-02 |GRAD(Rho)| 0.1150938E-13 GRAD(Rho)x 0.1225934E-14 GRAD(Rho)y 0.3436983E-14 GRAD(Rho)z -0.1091559E-13 Laplacian 0.3415978E-01 (-1/4)Del**2(Rho)) -0.8539946E-02 Diamond 0.9029327E-03 Metallicity 0.7456170E+00 Ellipticity -0.1410303E+01 Gb(Abramov) 0.6754552E-02 Vb(Abramov) -0.4969158E-02 Hb(Abramov) 0.1785394E-02 Ex_ueg -0.1326129E-02 Ec_ueg -0.3104731E-03 Delta_ex -0.1553318E-02 Delta_ec 0.4577515E-03 Delta_et -0.3158672E-02 Pxc 0.4271318E+01 Qxc -0.3393364E+01 3,+1 65 3 -1 0.053410 -0.418707 -0.666332 Rho 0.1724533E+00 |GRAD(Rho)| 0.3756788E-16 GRAD(Rho)x -0.2602085E-16 GRAD(Rho)y -0.1734723E-16 GRAD(Rho)z 0.2081668E-16 Laplacian 0.4305653E+00 (-1/4)Del**2(Rho)) -0.1076413E+00 Diamond 0.1054291E+01 Metallicity 0.8551194E+01 Ellipticity 0.8840384E-02 Gb(Abramov) 0.2251712E+00 Vb(Abramov) -0.3427011E+00 Hb(Abramov) -0.1175299E+00 Ex_ueg -0.7089471E-01 Ec_ueg -0.9896024E-02 Delta_ex -0.4805379E-01 Delta_ec 0.1087848E-01 Delta_et -0.1483339E+00 Pxc 0.7163959E+01 Qxc -0.4417326E+01 3,-1 66 3 -1 0.053410 -0.418707 0.666332 Rho 0.1724533E+00 |GRAD(Rho)| 0.4446478E-13 GRAD(Rho)x -0.1934911E-13 GRAD(Rho)y 0.1781214E-13 GRAD(Rho)z -0.3585326E-13 Laplacian 0.4305653E+00 (-1/4)Del**2(Rho)) -0.1076413E+00 Diamond 0.1054291E+01 Metallicity 0.8551194E+01 Ellipticity 0.8840384E-02 Gb(Abramov) 0.2251712E+00 Vb(Abramov) -0.3427011E+00 Hb(Abramov) -0.1175299E+00 Ex_ueg -0.7089471E-01 Ec_ueg -0.9896024E-02 Delta_ex -0.4805379E-01 Delta_ec 0.1087848E-01 Delta_et -0.1483339E+00 Pxc 0.7163959E+01 Qxc -0.4417326E+01 3,-1 67 3 +1 0.060666 0.862711 -1.552352 Rho 0.8722694E-02 |GRAD(Rho)| 0.1150379E-13 GRAD(Rho)x 0.1227938E-14 GRAD(Rho)y 0.3417771E-14 GRAD(Rho)z 0.1091551E-13 Laplacian 0.3415978E-01 (-1/4)Del**2(Rho)) -0.8539946E-02 Diamond 0.9029327E-03 Metallicity 0.7456170E+00 Ellipticity -0.1410303E+01 Gb(Abramov) 0.6754552E-02 Vb(Abramov) -0.4969158E-02 Hb(Abramov) 0.1785394E-02 Ex_ueg -0.1326129E-02 Ec_ueg -0.3104731E-03 Delta_ex -0.1553318E-02 Delta_ec 0.4577515E-03 Delta_et -0.3158672E-02 Pxc 0.4271318E+01 Qxc -0.3393364E+01 3,+1 68 3 -1 0.006454 0.002088 -4.571064 Rho 0.2285336E+00 |GRAD(Rho)| 0.7521520E-12 GRAD(Rho)x -0.2433112E-13 GRAD(Rho)y -0.1262862E-12 GRAD(Rho)z 0.7410752E-12 Laplacian 0.8474188E+00 (-1/4)Del**2(Rho)) -0.2118547E+00 Diamond 0.2823539E+01 Metallicity 0.6946486E+01 Ellipticity 0.1782614E-01 Gb(Abramov) 0.3865108E+00 Vb(Abramov) -0.5611668E+00 Hb(Abramov) -0.1746561E+00 Ex_ueg -0.1031934E+00 Ec_ueg -0.1365008E-01 Delta_ex -0.1010764E+00 Delta_ec 0.1896971E-01 Delta_et -0.2621554E+00 Pxc 0.7559912E+01 Qxc -0.5328308E+01 3,-1 69 3 -1 1.078789 -0.114195 -3.491325 Rho 0.8950150E-01 |GRAD(Rho)| 0.9569616E-17 GRAD(Rho)x -0.8768485E-17 GRAD(Rho)y -0.3737956E-17 GRAD(Rho)z 0.8478800E-18 Laplacian 0.3624425E+00 (-1/4)Del**2(Rho)) -0.9061064E-01 Diamond 0.3904229E+00 Metallicity 0.3404796E+01 Ellipticity 0.6447496E-02 Gb(Abramov) 0.1118256E+00 Vb(Abramov) -0.1330405E+00 Hb(Abramov) -0.2121492E-01 Ex_ueg -0.2956824E-01 Ec_ueg -0.4693607E-02 Delta_ex -0.3435082E-01 Delta_ec 0.1021661E-01 Delta_et -0.1239185E+00 Pxc 0.6299683E+01 Qxc -0.3362251E+01 3,-1 70 3 +1 1.598404 -0.679964 0.000000 Rho 0.5902373E-02 |GRAD(Rho)| 0.1312963E-16 GRAD(Rho)x 0.1297020E-16 GRAD(Rho)y 0.1369182E-17 GRAD(Rho)z -0.1512106E-17 Laplacian 0.2236040E-01 (-1/4)Del**2(Rho)) -0.5590101E-02 Diamond 0.3889578E-03 Metallicity 0.5940797E+00 Ellipticity -0.1416175E+01 Gb(Abramov) 0.4280228E-02 Vb(Abramov) -0.2970355E-02 Hb(Abramov) 0.1309873E-02 Ex_ueg -0.7878084E-03 Ec_ueg -0.1859499E-03 Delta_ex -0.9527185E-03 Delta_ec 0.3548099E-03 Delta_et -0.2163316E-02 Pxc 0.4236670E+01 Qxc -0.2685152E+01 3,+1 71 3 +3 1.738589 0.270303 -0.000000 Rho 0.3730299E-02 |GRAD(Rho)| 0.5259449E-16 GRAD(Rho)x -0.4288336E-16 GRAD(Rho)y 0.2661130E-16 GRAD(Rho)z -0.1479985E-16 Laplacian 0.1430020E-01 (-1/4)Del**2(Rho)) -0.3575049E-02 Diamond 0.8526486E-04 Metallicity 0.4323584E+00 Ellipticity -0.4121845E+00 Gb(Abramov) 0.2640983E-02 Vb(Abramov) -0.1706917E-02 Hb(Abramov) 0.9340660E-03 Ex_ueg -0.4272774E-03 Ec_ueg -0.9268839E-04 Delta_ex -0.4810036E-03 Delta_ec 0.1079168E-03 Delta_et -0.6780625E-03 Pxc 0.4609827E+01 Qxc -0.4457172E+01 3,+3 72 3 -1 1.078789 -0.114195 3.491325 Rho 0.8950150E-01 |GRAD(Rho)| 0.8725741E-16 GRAD(Rho)x 0.8667519E-16 GRAD(Rho)y 0.1399510E-17 GRAD(Rho)z 0.9965343E-17 Laplacian 0.3624425E+00 (-1/4)Del**2(Rho)) -0.9061064E-01 Diamond 0.3904229E+00 Metallicity 0.3404796E+01 Ellipticity 0.6447496E-02 Gb(Abramov) 0.1118256E+00 Vb(Abramov) -0.1330405E+00 Hb(Abramov) -0.2121492E-01 Ex_ueg -0.2956824E-01 Ec_ueg -0.4693607E-02 Delta_ex -0.3435082E-01 Delta_ec 0.1021661E-01 Delta_et -0.1239185E+00 Pxc 0.6299683E+01 Qxc -0.3362251E+01 3,-1 73 3 +3 -1.138585 0.609544 1.773838 Rho 0.4317013E-02 |GRAD(Rho)| 0.2172398E-14 GRAD(Rho)x -0.7258583E-15 GRAD(Rho)y 0.7633819E-15 GRAD(Rho)z 0.1899918E-14 Laplacian 0.1675481E-01 (-1/4)Del**2(Rho)) -0.4188701E-02 Diamond 0.1132703E-03 Metallicity 0.4707381E+00 Ellipticity -0.4890616E+00 Gb(Abramov) 0.3121098E-02 Vb(Abramov) -0.2053494E-02 Hb(Abramov) 0.1067604E-02 Ex_ueg -0.5191540E-03 Ec_ueg -0.1176405E-03 Delta_ex -0.5756854E-03 Delta_ec 0.1092196E-03 Delta_et -0.7389632E-03 Pxc 0.4413054E+01 Qxc -0.5270897E+01 3,+3 74 3 +1 1.423001 0.614957 -0.909768 Rho 0.5949718E-02 |GRAD(Rho)| 0.6740444E-15 GRAD(Rho)x -0.5348956E-15 GRAD(Rho)y 0.3022113E-15 GRAD(Rho)z 0.2772922E-15 Laplacian 0.2273385E-01 (-1/4)Del**2(Rho)) -0.5683462E-02 Diamond 0.3840830E-03 Metallicity 0.5921534E+00 Ellipticity -0.1370231E+01 Gb(Abramov) 0.4349888E-02 Vb(Abramov) -0.3016314E-02 Hb(Abramov) 0.1333574E-02 Ex_ueg -0.7962454E-03 Ec_ueg -0.1880092E-03 Delta_ex -0.9589360E-03 Delta_ec 0.3401297E-03 Delta_et -0.2094438E-02 Pxc 0.4235140E+01 Qxc -0.2819325E+01 3,+1 75 3 +1 1.423001 0.614957 0.909768 Rho 0.5949718E-02 |GRAD(Rho)| 0.3229557E-16 GRAD(Rho)x -0.3101605E-16 GRAD(Rho)y -0.2406923E-17 GRAD(Rho)z -0.8672650E-17 Laplacian 0.2273385E-01 (-1/4)Del**2(Rho)) -0.5683462E-02 Diamond 0.3840830E-03 Metallicity 0.5921534E+00 Ellipticity -0.1370231E+01 Gb(Abramov) 0.4349888E-02 Vb(Abramov) -0.3016314E-02 Hb(Abramov) 0.1333574E-02 Ex_ueg -0.7962454E-03 Ec_ueg -0.1880092E-03 Delta_ex -0.9589360E-03 Delta_ec 0.3401297E-03 Delta_et -0.2094438E-02 Pxc 0.4235140E+01 Qxc -0.2819325E+01 3,+1 76 3 +3 -1.138585 0.609544 -1.773838 Rho 0.4317013E-02 |GRAD(Rho)| 0.2168131E-14 GRAD(Rho)x -0.7291889E-15 GRAD(Rho)y 0.7604207E-15 GRAD(Rho)z -0.1894950E-14 Laplacian 0.1675481E-01 (-1/4)Del**2(Rho)) -0.4188701E-02 Diamond 0.1132703E-03 Metallicity 0.4707381E+00 Ellipticity -0.4890616E+00 Gb(Abramov) 0.3121098E-02 Vb(Abramov) -0.2053494E-02 Hb(Abramov) 0.1067604E-02 Ex_ueg -0.5191540E-03 Ec_ueg -0.1176405E-03 Delta_ex -0.5756854E-03 Delta_ec 0.1092196E-03 Delta_et -0.7389632E-03 Pxc 0.4413054E+01 Qxc -0.5270897E+01 3,+3 77 3 +1 0.972503 2.473456 -0.555454 Rho 0.2651140E-01 |GRAD(Rho)| 0.1144144E-11 GRAD(Rho)x -0.5555248E-12 GRAD(Rho)y -0.9472992E-12 GRAD(Rho)z 0.3210628E-12 Laplacian 0.1021481E+00 (-1/4)Del**2(Rho)) -0.2553703E-01 Diamond 0.1392752E-01 Metallicity 0.1590147E+01 Ellipticity -0.3441272E+01 Gb(Abramov) 0.2379263E-01 Vb(Abramov) -0.2204822E-01 Hb(Abramov) 0.1744406E-02 Ex_ueg -0.5838420E-02 Ec_ueg -0.1165108E-02 Delta_ex -0.6397703E-02 Delta_ec 0.1633503E-02 Delta_et -0.1464564E-01 Pxc 0.5011055E+01 Qxc -0.3916555E+01 3,+1 78 3 +1 0.972503 2.473456 0.555454 Rho 0.2651140E-01 |GRAD(Rho)| 0.1143983E-11 GRAD(Rho)x -0.5555012E-12 GRAD(Rho)y -0.9471140E-12 GRAD(Rho)z -0.3210788E-12 Laplacian 0.1021481E+00 (-1/4)Del**2(Rho)) -0.2553703E-01 Diamond 0.1392752E-01 Metallicity 0.1590147E+01 Ellipticity -0.3441272E+01 Gb(Abramov) 0.2379263E-01 Vb(Abramov) -0.2204822E-01 Hb(Abramov) 0.1744406E-02 Ex_ueg -0.5838420E-02 Ec_ueg -0.1165108E-02 Delta_ex -0.6397703E-02 Delta_ec 0.1633503E-02 Delta_et -0.1464564E-01 Pxc 0.5011055E+01 Qxc -0.3916555E+01 3,+1 79 3 +1 0.592095 3.419863 -0.000000 Rho 0.1272675E-01 |GRAD(Rho)| 0.1147375E-15 GRAD(Rho)x -0.4032807E-16 GRAD(Rho)y -0.1072687E-15 GRAD(Rho)z -0.5637353E-17 Laplacian 0.6072828E-01 (-1/4)Del**2(Rho)) -0.1518207E-01 Diamond 0.2108256E-02 Metallicity 0.7871989E+00 Ellipticity -0.1127259E+01 Gb(Abramov) 0.1211326E-01 Vb(Abramov) -0.9044459E-02 Hb(Abramov) 0.3068805E-02 Ex_ueg -0.2194530E-02 Ec_ueg -0.4932212E-03 Delta_ex -0.2890332E-02 Delta_ec 0.5356211E-03 Delta_et -0.4262123E-02 Pxc 0.4449383E+01 Qxc -0.5396224E+01 3,+1 80 3 +1 1.549565 -1.443931 1.701729 Rho 0.2173539E-01 |GRAD(Rho)| 0.8082603E-13 GRAD(Rho)x 0.6791459E-13 GRAD(Rho)y -0.3297144E-13 GRAD(Rho)z 0.2886762E-13 Laplacian 0.8287806E-01 (-1/4)Del**2(Rho)) -0.2071951E-01 Diamond 0.9848268E-02 Metallicity 0.1407514E+01 Ellipticity -0.6892479E+01 Gb(Abramov) 0.1867351E-01 Vb(Abramov) -0.1662751E-01 Hb(Abramov) 0.2046003E-02 Ex_ueg -0.4479970E-02 Ec_ueg -0.9257943E-03 Delta_ex -0.5085039E-02 Delta_ec 0.1618317E-02 Delta_et -0.1373095E-01 Pxc 0.4839056E+01 Qxc -0.3142177E+01 3,+1 81 3 -1 1.527658 -2.705240 -1.969753 Rho 0.7818460E-01 |GRAD(Rho)| 0.2540778E-13 GRAD(Rho)x -0.2329554E-13 GRAD(Rho)y -0.9094996E-14 GRAD(Rho)z 0.4489351E-14 Laplacian 0.3124793E+00 (-1/4)Del**2(Rho)) -0.7811983E-01 Diamond 0.2843479E+00 Metallicity 0.3152540E+01 Ellipticity 0.4494262E-02 Gb(Abramov) 0.9312586E-01 Vb(Abramov) -0.1081319E+00 Hb(Abramov) -0.1500604E-01 Ex_ueg -0.2469146E-01 Ec_ueg -0.4023761E-02 Delta_ex -0.2868220E-01 Delta_ec 0.9001037E-02 Delta_et -0.1059677E+00 Pxc 0.6136412E+01 Qxc -0.3186544E+01 3,-1 82 3 +1 2.071903 -2.033733 0.000000 Rho 0.4442149E-02 |GRAD(Rho)| 0.6051782E-17 GRAD(Rho)x 0.5637990E-17 GRAD(Rho)y 0.1240892E-17 GRAD(Rho)z 0.1815851E-17 Laplacian 0.1803230E-01 (-1/4)Del**2(Rho)) -0.4508076E-02 Diamond 0.3855301E-03 Metallicity 0.4587230E+00 Ellipticity -0.4190398E+01 Gb(Abramov) 0.3350044E-02 Vb(Abramov) -0.2192011E-02 Hb(Abramov) 0.1158032E-02 Ex_ueg -0.5393151E-03 Ec_ueg -0.1229858E-03 Delta_ex -0.9056586E-03 Delta_ec 0.6198864E-03 Delta_et -0.3227574E-02 Pxc 0.4385183E+01 Qxc -0.1461007E+01 3,+1 83 3 -1 1.527658 -2.705240 1.969753 Rho 0.7818460E-01 |GRAD(Rho)| 0.3764119E-15 GRAD(Rho)x 0.3620964E-15 GRAD(Rho)y 0.1027934E-15 GRAD(Rho)z -0.2366822E-17 Laplacian 0.3124793E+00 (-1/4)Del**2(Rho)) -0.7811983E-01 Diamond 0.2843479E+00 Metallicity 0.3152540E+01 Ellipticity 0.4494262E-02 Gb(Abramov) 0.9312586E-01 Vb(Abramov) -0.1081319E+00 Hb(Abramov) -0.1500604E-01 Ex_ueg -0.2469146E-01 Ec_ueg -0.4023761E-02 Delta_ex -0.2868220E-01 Delta_ec 0.9001037E-02 Delta_et -0.1059677E+00 Pxc 0.6136412E+01 Qxc -0.3186544E+01 3,-1 84 3 +1 1.549565 -1.443931 -1.701729 Rho 0.2173539E-01 |GRAD(Rho)| 0.6363008E-10 GRAD(Rho)x -0.5663242E-10 GRAD(Rho)y -0.2786305E-10 GRAD(Rho)z 0.8075024E-11 Laplacian 0.8287806E-01 (-1/4)Del**2(Rho)) -0.2071951E-01 Diamond 0.9848268E-02 Metallicity 0.1407514E+01 Ellipticity -0.6892480E+01 Gb(Abramov) 0.1867351E-01 Vb(Abramov) -0.1662751E-01 Hb(Abramov) 0.2046003E-02 Ex_ueg -0.4479970E-02 Ec_ueg -0.9257943E-03 Delta_ex -0.5085039E-02 Delta_ec 0.1618317E-02 Delta_et -0.1373095E-01 Pxc 0.4839056E+01 Qxc -0.3142177E+01 3,+1 85 3 -1 2.721603 1.884453 -0.700489 Rho 0.1708936E+00 |GRAD(Rho)| 0.1060752E-11 GRAD(Rho)x -0.8135348E-12 GRAD(Rho)y 0.2894322E-12 GRAD(Rho)z 0.6161044E-12 Laplacian 0.7091646E+00 (-1/4)Del**2(Rho)) -0.1772911E+00 Diamond 0.1669069E+01 Metallicity 0.5113787E+01 Ellipticity 0.2619901E-01 Gb(Abramov) 0.2692990E+00 Vb(Abramov) -0.3613068E+00 Hb(Abramov) -0.9200782E-01 Ex_ueg -0.7004110E-01 Ec_ueg -0.9794164E-02 Delta_ex -0.7856206E-01 Delta_ec 0.1723320E-01 Delta_et -0.2327668E+00 Pxc 0.7151309E+01 Qxc -0.4558761E+01 3,-1 86 3 -1 2.721603 1.884453 0.700489 Rho 0.1708936E+00 |GRAD(Rho)| 0.1197311E-12 GRAD(Rho)x -0.2070748E-13 GRAD(Rho)y 0.8628130E-13 GRAD(Rho)z -0.8038822E-13 Laplacian 0.7091646E+00 (-1/4)Del**2(Rho)) -0.1772911E+00 Diamond 0.1669069E+01 Metallicity 0.5113787E+01 Ellipticity 0.2619901E-01 Gb(Abramov) 0.2692990E+00 Vb(Abramov) -0.3613068E+00 Hb(Abramov) -0.9200782E-01 Ex_ueg -0.7004110E-01 Ec_ueg -0.9794164E-02 Delta_ex -0.7856206E-01 Delta_ec 0.1723320E-01 Delta_et -0.2327668E+00 Pxc 0.7151309E+01 Qxc -0.4558761E+01 3,-1 87 3 -1 3.246996 3.135865 0.000000 Rho 0.2361270E+00 |GRAD(Rho)| 0.1147415E-13 GRAD(Rho)x 0.1201513E-14 GRAD(Rho)y 0.1141107E-13 GRAD(Rho)z -0.3133763E-18 Laplacian 0.8607194E+00 (-1/4)Del**2(Rho)) -0.2151799E+00 Diamond 0.2989225E+01 Metallicity 0.7222060E+01 Ellipticity 0.3472981E-03 Gb(Abramov) 0.4024602E+00 Vb(Abramov) -0.5897406E+00 Hb(Abramov) -0.1872803E+00 Ex_ueg -0.1077902E+00 Ec_ueg -0.1417180E-01 Delta_ex -0.1035743E+00 Delta_ec 0.1914572E-01 Delta_et -0.2652190E+00 Pxc 0.7605967E+01 Qxc -0.5409790E+01 3,-1 88 3 -1 1.334176 2.038739 -0.000000 Rho 0.3962306E-01 |GRAD(Rho)| 0.4001172E-12 GRAD(Rho)x 0.3458851E-12 GRAD(Rho)y -0.2011398E-12 GRAD(Rho)z 0.1664634E-17 Laplacian 0.1522858E+00 (-1/4)Del**2(Rho)) -0.3807146E-01 Diamond 0.5525281E-01 Metallicity 0.2083853E+01 Ellipticity 0.1675432E-01 Gb(Abramov) 0.3860353E-01 Vb(Abramov) -0.3913559E-01 Hb(Abramov) -0.5320667E-03 Ex_ueg -0.9976598E-02 Ec_ueg -0.1849864E-02 Delta_ex -0.1176817E-01 Delta_ec 0.4438416E-02 Delta_et -0.4398612E-01 Pxc 0.5393151E+01 Qxc -0.2651434E+01 3,-1 89 3 +1 -1.814288 0.264741 -1.747566 Rho 0.5236611E-02 |GRAD(Rho)| 0.7314939E-17 GRAD(Rho)x -0.1329946E-17 GRAD(Rho)y 0.7186127E-17 GRAD(Rho)z -0.3148795E-18 Laplacian 0.1903891E-01 (-1/4)Del**2(Rho)) -0.4759727E-02 Diamond 0.3762905E-03 Metallicity 0.5715511E+00 Ellipticity -0.2022078E+01 Gb(Abramov) 0.3626556E-02 Vb(Abramov) -0.2493385E-02 Hb(Abramov) 0.1133171E-02 Ex_ueg -0.6716126E-03 Ec_ueg -0.1571093E-03 Delta_ex -0.8711421E-03 Delta_ec 0.4496091E-03 Delta_et -0.2536164E-02 Pxc 0.4274811E+01 Qxc -0.1937554E+01 3,+1 90 3 +1 -1.814288 0.264741 1.747566 Rho 0.5236611E-02 |GRAD(Rho)| 0.7718669E-17 GRAD(Rho)x 0.1188231E-17 GRAD(Rho)y -0.8985908E-18 GRAD(Rho)z -0.7573539E-17 Laplacian 0.1903891E-01 (-1/4)Del**2(Rho)) -0.4759727E-02 Diamond 0.3762905E-03 Metallicity 0.5715511E+00 Ellipticity -0.2022078E+01 Gb(Abramov) 0.3626556E-02 Vb(Abramov) -0.2493385E-02 Hb(Abramov) 0.1133171E-02 Ex_ueg -0.6716126E-03 Ec_ueg -0.1571093E-03 Delta_ex -0.8711421E-03 Delta_ec 0.4496091E-03 Delta_et -0.2536164E-02 Pxc 0.4274811E+01 Qxc -0.1937554E+01 3,+1 91 3 -1 -0.198868 2.333757 2.352312 Rho 0.1482765E+00 |GRAD(Rho)| 0.7766630E-15 GRAD(Rho)x 0.2985825E-15 GRAD(Rho)y -0.5933567E-15 GRAD(Rho)z 0.4024694E-15 Laplacian 0.6198675E+00 (-1/4)Del**2(Rho)) -0.1549669E+00 Diamond 0.1230475E+01 Metallicity 0.4617796E+01 Ellipticity 0.1440091E-01 Gb(Abramov) 0.2225788E+00 Vb(Abramov) -0.2901907E+00 Hb(Abramov) -0.6761193E-01 Ex_ueg -0.5796262E-01 Ec_ueg -0.8333275E-02 Delta_ex -0.6629456E-01 Delta_ec 0.1562143E-01 Delta_et -0.2072728E+00 Pxc 0.6955564E+01 Qxc -0.4243821E+01 3,-1 92 3 -1 -0.198868 2.333757 -2.352312 Rho 0.1482765E+00 |GRAD(Rho)| 0.3265154E-12 GRAD(Rho)x -0.7902243E-13 GRAD(Rho)y 0.2593103E-12 GRAD(Rho)z 0.1820052E-12 Laplacian 0.6198675E+00 (-1/4)Del**2(Rho)) -0.1549669E+00 Diamond 0.1230475E+01 Metallicity 0.4617796E+01 Ellipticity 0.1440091E-01 Gb(Abramov) 0.2225788E+00 Vb(Abramov) -0.2901907E+00 Hb(Abramov) -0.6761193E-01 Ex_ueg -0.5796262E-01 Ec_ueg -0.8333275E-02 Delta_ex -0.6629456E-01 Delta_ec 0.1562143E-01 Delta_et -0.2072728E+00 Pxc 0.6955564E+01 Qxc -0.4243821E+01 3,-1 93 3 +1 1.523196 -1.466790 2.880357 Rho 0.1204001E-01 |GRAD(Rho)| 0.2072963E-16 GRAD(Rho)x -0.1258220E-16 GRAD(Rho)y 0.7565578E-17 GRAD(Rho)z 0.1463447E-16 Laplacian 0.5578281E-01 (-1/4)Del**2(Rho)) -0.1394570E-01 Diamond 0.1959223E-02 Metallicity 0.7813111E+00 Ellipticity -0.1211875E+01 Gb(Abramov) 0.1111312E-01 Vb(Abramov) -0.8280545E-02 Hb(Abramov) 0.2832579E-02 Ex_ueg -0.2038078E-02 Ec_ueg -0.4614162E-03 Delta_ex -0.2662032E-02 Delta_ec 0.5770362E-03 Delta_et -0.4443116E-02 Pxc 0.4417005E+01 Qxc -0.4613285E+01 3,+1 94 3 +3 1.615684 -1.581588 0.000000 Rho 0.3761403E-02 |GRAD(Rho)| 0.2400568E-17 GRAD(Rho)x 0.1021370E-18 GRAD(Rho)y 0.2288242E-17 GRAD(Rho)z -0.7184986E-18 Laplacian 0.1539936E-01 (-1/4)Del**2(Rho)) -0.3849839E-02 Diamond 0.1085366E-03 Metallicity 0.4070931E+00 Ellipticity -0.1515235E+00 Gb(Abramov) 0.2827766E-02 Vb(Abramov) -0.1805694E-02 Hb(Abramov) 0.1022073E-02 Ex_ueg -0.4320343E-03 Ec_ueg -0.9400663E-04 Delta_ex -0.5403636E-03 Delta_ec 0.1542020E-03 Delta_et -0.9052525E-03 Pxc 0.4595785E+01 Qxc -0.3504258E+01 3,+3 95 3 +1 1.523196 -1.466790 -2.880357 Rho 0.1204001E-01 |GRAD(Rho)| 0.2128838E-15 GRAD(Rho)x 0.4313508E-16 GRAD(Rho)y 0.1916665E-15 GRAD(Rho)z -0.8199293E-16 Laplacian 0.5578281E-01 (-1/4)Del**2(Rho)) -0.1394570E-01 Diamond 0.1959223E-02 Metallicity 0.7813111E+00 Ellipticity -0.1211875E+01 Gb(Abramov) 0.1111312E-01 Vb(Abramov) -0.8280545E-02 Hb(Abramov) 0.2832579E-02 Ex_ueg -0.2038078E-02 Ec_ueg -0.4614162E-03 Delta_ex -0.2662032E-02 Delta_ec 0.5770362E-03 Delta_et -0.4443116E-02 Pxc 0.4417005E+01 Qxc -0.4613285E+01 3,+1 96 3 +3 1.357718 -1.343359 -2.611992 Rho 0.1159503E-01 |GRAD(Rho)| 0.1135862E-16 GRAD(Rho)x -0.9195057E-17 GRAD(Rho)y -0.3572570E-17 GRAD(Rho)z 0.5630807E-17 Laplacian 0.5258152E-01 (-1/4)Del**2(Rho)) -0.1314538E-01 Diamond 0.1090022E-02 Metallicity 0.7784542E+00 Ellipticity -0.5477577E+00 Gb(Abramov) 0.1046910E-01 Vb(Abramov) -0.7792818E-02 Hb(Abramov) 0.2676281E-02 Ex_ueg -0.1938269E-02 Ec_ueg -0.4409065E-03 Delta_ex -0.2283018E-02 Delta_ec 0.1855785E-03 Delta_et -0.1768596E-02 Pxc 0.4396101E+01 Qxc -0.1230217E+02 3,+3 97 3 +1 3.019887 0.592978 0.000000 Rho 0.1309342E-01 |GRAD(Rho)| 0.2706036E-16 GRAD(Rho)x 0.4122292E-18 GRAD(Rho)y 0.1619604E-16 GRAD(Rho)z 0.2167445E-16 Laplacian 0.6488197E-01 (-1/4)Del**2(Rho)) -0.1622049E-01 Diamond 0.2875699E-02 Metallicity 0.7725219E+00 Ellipticity -0.1286864E+01 Gb(Abramov) 0.1290211E-01 Vb(Abramov) -0.9583726E-02 Hb(Abramov) 0.3318383E-02 Ex_ueg -0.2279235E-02 Ec_ueg -0.5102773E-03 Delta_ex -0.3249643E-02 Delta_ec 0.8170727E-03 Delta_et -0.6276528E-02 Pxc 0.4466659E+01 Qxc -0.3977177E+01 3,+1 98 3 -1 2.981482 0.391777 1.592540 Rho 0.1064560E+00 |GRAD(Rho)| 0.1849617E-12 GRAD(Rho)x 0.2602745E-13 GRAD(Rho)y -0.1691865E-12 GRAD(Rho)z 0.7006661E-13 Laplacian 0.4433278E+00 (-1/4)Del**2(Rho)) -0.1108319E+00 Diamond 0.5975967E+00 Metallicity 0.3716820E+01 Ellipticity 0.1850432E-01 Gb(Abramov) 0.1425450E+00 Vb(Abramov) -0.1742581E+00 Hb(Abramov) -0.3171308E-01 Ex_ueg -0.3726304E-01 Ec_ueg -0.5717763E-02 Delta_ex -0.4388768E-01 Delta_ec 0.1227606E-01 Delta_et -0.1544768E+00 Pxc 0.6517067E+01 Qxc -0.3575061E+01 3,-1 99 3 -1 2.981482 0.391777 -1.592540 Rho 0.1064560E+00 |GRAD(Rho)| 0.5708682E-16 GRAD(Rho)x 0.7831667E-17 GRAD(Rho)y -0.3602262E-16 GRAD(Rho)z -0.4358832E-16 Laplacian 0.4433278E+00 (-1/4)Del**2(Rho)) -0.1108319E+00 Diamond 0.5975967E+00 Metallicity 0.3716820E+01 Ellipticity 0.1850432E-01 Gb(Abramov) 0.1425450E+00 Vb(Abramov) -0.1742581E+00 Hb(Abramov) -0.3171308E-01 Ex_ueg -0.3726304E-01 Ec_ueg -0.5717763E-02 Delta_ex -0.4388768E-01 Delta_ec 0.1227606E-01 Delta_et -0.1544768E+00 Pxc 0.6517067E+01 Qxc -0.3575061E+01 3,-1 100 3 -1 -1.930264 0.927292 -2.411238 Rho 0.7833448E-02 |GRAD(Rho)| 0.5944790E-16 GRAD(Rho)x 0.5724587E-16 GRAD(Rho)y 0.8023096E-17 GRAD(Rho)z -0.1387779E-16 Laplacian 0.3055462E-01 (-1/4)Del**2(Rho)) -0.7638656E-02 Diamond 0.1599596E-02 Metallicity 0.6968263E+00 Ellipticity 0.1976973E+00 Gb(Abramov) 0.5979573E-02 Vb(Abramov) -0.4320491E-02 Hb(Abramov) 0.1659083E-02 Ex_ueg -0.1149006E-02 Ec_ueg -0.2708141E-03 Delta_ex -0.1812231E-02 Delta_ec 0.1231320E-02 Delta_et -0.7547167E-02 Pxc 0.4242786E+01 Qxc -0.1471779E+01 3,-1 101 3 +3 -1.562198 2.003535 0.000000 Rho 0.6342957E-02 |GRAD(Rho)| 0.2745171E-13 GRAD(Rho)x 0.5525931E-14 GRAD(Rho)y 0.2688978E-13 GRAD(Rho)z 0.6871131E-17 Laplacian 0.2708051E-01 (-1/4)Del**2(Rho)) -0.6770127E-02 Diamond 0.3597881E-03 Metallicity 0.5530647E+00 Ellipticity -0.6175203E+00 Gb(Abramov) 0.5137471E-02 Vb(Abramov) -0.3504815E-02 Hb(Abramov) 0.1632656E-02 Ex_ueg -0.8671763E-03 Ec_ueg -0.2051558E-03 Delta_ex -0.1066009E-02 Delta_ec 0.2371142E-03 Delta_et -0.1623346E-02 Pxc 0.4226917E+01 Qxc -0.4495762E+01 3,+3 102 3 +1 -1.865910 2.399269 0.000000 Rho 0.6824050E-02 |GRAD(Rho)| 0.1289248E-14 GRAD(Rho)x 0.8921087E-15 GRAD(Rho)y 0.9307062E-15 GRAD(Rho)z 0.9391901E-17 Laplacian 0.2914107E-01 (-1/4)Del**2(Rho)) -0.7285268E-02 Diamond 0.7421847E-03 Metallicity 0.5805567E+00 Ellipticity -0.1521936E+01 Gb(Abramov) 0.5561764E-02 Vb(Abramov) -0.3838259E-02 Hb(Abramov) 0.1723504E-02 Ex_ueg -0.9559635E-03 Ec_ueg -0.2262343E-03 Delta_ex -0.1362403E-02 Delta_ec 0.5994118E-03 Delta_et -0.3695493E-02 Pxc 0.4225546E+01 Qxc -0.2272901E+01 3,+1 103 3 -1 -1.930264 0.927292 2.411238 Rho 0.7833448E-02 |GRAD(Rho)| 0.5907300E-16 GRAD(Rho)x 0.5620142E-16 GRAD(Rho)y -0.5924201E-18 GRAD(Rho)z 0.1818432E-16 Laplacian 0.3055462E-01 (-1/4)Del**2(Rho)) -0.7638656E-02 Diamond 0.1599596E-02 Metallicity 0.6968263E+00 Ellipticity 0.1976973E+00 Gb(Abramov) 0.5979573E-02 Vb(Abramov) -0.4320491E-02 Hb(Abramov) 0.1659083E-02 Ex_ueg -0.1149006E-02 Ec_ueg -0.2708141E-03 Delta_ex -0.1812231E-02 Delta_ec 0.1231320E-02 Delta_et -0.7547167E-02 Pxc 0.4242786E+01 Qxc -0.1471779E+01 3,-1 104 3 +1 -1.533426 1.088484 -2.510741 Rho 0.7177656E-02 |GRAD(Rho)| 0.1200399E-16 GRAD(Rho)x 0.7562310E-17 GRAD(Rho)y -0.5258381E-17 GRAD(Rho)z -0.7697835E-17 Laplacian 0.3166739E-01 (-1/4)Del**2(Rho)) -0.7916846E-02 Diamond 0.8873747E-03 Metallicity 0.5811729E+00 Ellipticity -0.1575273E+01 Gb(Abramov) 0.6044740E-02 Vb(Abramov) -0.4172634E-02 Hb(Abramov) 0.1872106E-02 Ex_ueg -0.1022575E-02 Ec_ueg -0.2417972E-03 Delta_ex -0.1511389E-02 Delta_ec 0.6757330E-03 Delta_et -0.4211461E-02 Pxc 0.4229061E+01 Qxc -0.2236667E+01 3,+1 105 3 +1 -1.172584 1.375486 -0.698914 Rho 0.1193045E-01 |GRAD(Rho)| 0.6542556E-14 GRAD(Rho)x -0.2539177E-14 GRAD(Rho)y -0.5805307E-14 GRAD(Rho)z 0.1629733E-14 Laplacian 0.4743052E-01 (-1/4)Del**2(Rho)) -0.1185763E-01 Diamond 0.1917985E-02 Metallicity 0.9050032E+00 Ellipticity -0.1529464E+01 Gb(Abramov) 0.9693620E-02 Vb(Abramov) -0.7529608E-02 Hb(Abramov) 0.2164011E-02 Ex_ueg -0.2013389E-02 Ec_ueg -0.4563594E-03 Delta_ex -0.2337320E-02 Delta_ec 0.6325592E-03 Delta_et -0.4723364E-02 Pxc 0.4411849E+01 Qxc -0.3695022E+01 3,+1 106 3 +3 0.556924 3.215096 0.000000 Rho 0.1261139E-01 |GRAD(Rho)| 0.1081671E-12 GRAD(Rho)x 0.9916264E-13 GRAD(Rho)y -0.4320563E-13 GRAD(Rho)z 0.4020709E-15 Laplacian 0.5902921E-01 (-1/4)Del**2(Rho)) -0.1475730E-01 Diamond 0.1484133E-02 Metallicity 0.7976597E+00 Ellipticity -0.7909296E+00 Gb(Abramov) 0.1180009E-01 Vb(Abramov) -0.8842869E-02 Hb(Abramov) 0.2957217E-02 Ex_ueg -0.2168048E-02 Ec_ueg -0.4878658E-03 Delta_ex -0.2656457E-02 Delta_ec 0.2601276E-03 Delta_et -0.2352624E-02 Pxc 0.4443943E+01 Qxc -0.1021213E+02 3,+3 107 3 +1 -1.172584 1.375486 0.698914 Rho 0.1193045E-01 |GRAD(Rho)| 0.6552513E-14 GRAD(Rho)x -0.2557053E-14 GRAD(Rho)y -0.5809482E-14 GRAD(Rho)z -0.1626908E-14 Laplacian 0.4743052E-01 (-1/4)Del**2(Rho)) -0.1185763E-01 Diamond 0.1917985E-02 Metallicity 0.9050032E+00 Ellipticity -0.1529464E+01 Gb(Abramov) 0.9693620E-02 Vb(Abramov) -0.7529608E-02 Hb(Abramov) 0.2164011E-02 Ex_ueg -0.2013389E-02 Ec_ueg -0.4563594E-03 Delta_ex -0.2337320E-02 Delta_ec 0.6325592E-03 Delta_et -0.4723364E-02 Pxc 0.4411849E+01 Qxc -0.3695022E+01 3,+1 108 3 +1 -1.533426 1.088484 2.510741 Rho 0.7177656E-02 |GRAD(Rho)| 0.2598530E-16 GRAD(Rho)x 0.1211029E-16 GRAD(Rho)y -0.1497657E-16 GRAD(Rho)z 0.1744358E-16 Laplacian 0.3166739E-01 (-1/4)Del**2(Rho)) -0.7916846E-02 Diamond 0.8873747E-03 Metallicity 0.5811729E+00 Ellipticity -0.1575273E+01 Gb(Abramov) 0.6044740E-02 Vb(Abramov) -0.4172634E-02 Hb(Abramov) 0.1872106E-02 Ex_ueg -0.1022575E-02 Ec_ueg -0.2417972E-03 Delta_ex -0.1511389E-02 Delta_ec 0.6757330E-03 Delta_et -0.4211461E-02 Pxc 0.4229061E+01 Qxc -0.2236667E+01 3,+1 109 3 -1 -1.382683 2.598513 -1.631006 Rho 0.1449981E+00 |GRAD(Rho)| 0.3757873E-15 GRAD(Rho)x 0.3346932E-15 GRAD(Rho)y 0.1596488E-15 GRAD(Rho)z -0.6089997E-16 Laplacian 0.5576709E+00 (-1/4)Del**2(Rho)) -0.1394177E+00 Diamond 0.1099422E+01 Metallicity 0.4945066E+01 Ellipticity 0.9297387E-01 Gb(Abramov) 0.2078501E+00 Vb(Abramov) -0.2762825E+00 Hb(Abramov) -0.6843241E-01 Ex_ueg -0.5626020E-01 Ec_ueg -0.8124090E-02 Delta_ex -0.5954273E-01 Delta_ec 0.1453672E-01 Delta_et -0.1931714E+00 Pxc 0.6925108E+01 Qxc -0.4096022E+01 3,-1 110 3 -1 -1.382683 2.598513 1.631006 Rho 0.1449981E+00 |GRAD(Rho)| 0.3096644E-15 GRAD(Rho)x -0.2965564E-15 GRAD(Rho)y -0.8867419E-16 GRAD(Rho)z -0.9122545E-17 Laplacian 0.5576709E+00 (-1/4)Del**2(Rho)) -0.1394177E+00 Diamond 0.1099422E+01 Metallicity 0.4945066E+01 Ellipticity 0.9297387E-01 Gb(Abramov) 0.2078501E+00 Vb(Abramov) -0.2762825E+00 Hb(Abramov) -0.6843241E-01 Ex_ueg -0.5626020E-01 Ec_ueg -0.8124090E-02 Delta_ex -0.5954273E-01 Delta_ec 0.1453672E-01 Delta_et -0.1931714E+00 Pxc 0.6925108E+01 Qxc -0.4096022E+01 3,-1 111 3 -1 -0.487307 -3.147648 -1.740701 Rho 0.2289675E+00 |GRAD(Rho)| 0.8318451E-13 GRAD(Rho)x -0.6550446E-13 GRAD(Rho)y 0.5102880E-13 GRAD(Rho)z -0.4988970E-14 Laplacian 0.8798205E+00 (-1/4)Del**2(Rho)) -0.2199551E+00 Diamond 0.2913190E+01 Metallicity 0.6711851E+01 Ellipticity 0.1213107E-01 Gb(Abramov) 0.3926877E+00 Vb(Abramov) -0.5654204E+00 Hb(Abramov) -0.1727326E+00 Ex_ueg -0.1034547E+00 Ec_ueg -0.1367981E-01 Delta_ex -0.1048512E+00 Delta_ec 0.1943114E-01 Delta_et -0.2675025E+00 Pxc 0.7562586E+01 Qxc -0.5396038E+01 3,-1 112 3 -1 -0.487307 -3.147648 1.740701 Rho 0.2289675E+00 |GRAD(Rho)| 0.3799461E-13 GRAD(Rho)x 0.2491887E-13 GRAD(Rho)y -0.2660619E-14 GRAD(Rho)z -0.2855803E-13 Laplacian 0.8798205E+00 (-1/4)Del**2(Rho)) -0.2199551E+00 Diamond 0.2913190E+01 Metallicity 0.6711851E+01 Ellipticity 0.1213107E-01 Gb(Abramov) 0.3926877E+00 Vb(Abramov) -0.5654204E+00 Hb(Abramov) -0.1727326E+00 Ex_ueg -0.1034547E+00 Ec_ueg -0.1367981E-01 Delta_ex -0.1048512E+00 Delta_ec 0.1943114E-01 Delta_et -0.2675025E+00 Pxc 0.7562586E+01 Qxc -0.5396038E+01 3,-1 113 3 -1 0.374713 -2.535468 -2.762254 Rho 0.1322968E+00 |GRAD(Rho)| 0.1328313E-13 GRAD(Rho)x 0.8926059E-14 GRAD(Rho)y 0.7911654E-14 GRAD(Rho)z -0.5845747E-14 Laplacian 0.5097161E+00 (-1/4)Del**2(Rho)) -0.1274290E+00 Diamond 0.8955885E+00 Metallicity 0.4643733E+01 Ellipticity 0.3887664E-01 Gb(Abramov) 0.1835771E+00 Vb(Abramov) -0.2397251E+00 Hb(Abramov) -0.5614805E-01 Ex_ueg -0.4978720E-01 Ec_ueg -0.7320080E-02 Delta_ex -0.5317438E-01 Delta_ec 0.1348866E-01 Delta_et -0.1765135E+00 Pxc 0.6801455E+01 Qxc -0.3942153E+01 3,-1 114 3 -1 0.374713 -2.535468 2.762254 Rho 0.1322968E+00 |GRAD(Rho)| 0.4702786E-13 GRAD(Rho)x -0.1257895E-15 GRAD(Rho)y 0.4636592E-13 GRAD(Rho)z 0.7861631E-14 Laplacian 0.5097161E+00 (-1/4)Del**2(Rho)) -0.1274290E+00 Diamond 0.8955885E+00 Metallicity 0.4643733E+01 Ellipticity 0.3887664E-01 Gb(Abramov) 0.1835771E+00 Vb(Abramov) -0.2397251E+00 Hb(Abramov) -0.5614805E-01 Ex_ueg -0.4978720E-01 Ec_ueg -0.7320080E-02 Delta_ex -0.5317438E-01 Delta_ec 0.1348866E-01 Delta_et -0.1765135E+00 Pxc 0.6801455E+01 Qxc -0.3942153E+01 3,-1 115 3 +1 1.418809 -0.477059 -2.225921 Rho 0.2204617E-01 |GRAD(Rho)| 0.5428943E-14 GRAD(Rho)x 0.3424460E-14 GRAD(Rho)y -0.4183477E-14 GRAD(Rho)z 0.4949956E-15 Laplacian 0.8291558E-01 (-1/4)Del**2(Rho)) -0.2072889E-01 Diamond 0.9676806E-02 Metallicity 0.1440563E+01 Ellipticity -0.5385270E+01 Gb(Abramov) 0.1879614E-01 Vb(Abramov) -0.1686339E-01 Hb(Abramov) 0.1932753E-02 Ex_ueg -0.4565578E-02 Ec_ueg -0.9411750E-03 Delta_ex -0.5058582E-02 Delta_ec 0.1534304E-02 Delta_et -0.1308945E-01 Pxc 0.4850935E+01 Qxc -0.3296989E+01 3,+1 116 3 +1 1.418809 -0.477059 2.225921 Rho 0.2204617E-01 |GRAD(Rho)| 0.1064763E-12 GRAD(Rho)x -0.7970951E-13 GRAD(Rho)y -0.5809395E-13 GRAD(Rho)z -0.4010852E-13 Laplacian 0.8291558E-01 (-1/4)Del**2(Rho)) -0.2072889E-01 Diamond 0.9676806E-02 Metallicity 0.1440563E+01 Ellipticity -0.5385270E+01 Gb(Abramov) 0.1879614E-01 Vb(Abramov) -0.1686339E-01 Hb(Abramov) 0.1932753E-02 Ex_ueg -0.4565578E-02 Ec_ueg -0.9411750E-03 Delta_ex -0.5058582E-02 Delta_ec 0.1534304E-02 Delta_et -0.1308945E-01 Pxc 0.4850935E+01 Qxc -0.3296989E+01 3,+1 117 3 +3 1.357718 -1.343359 2.611992 Rho 0.1159503E-01 |GRAD(Rho)| 0.1580637E-16 GRAD(Rho)x -0.2919393E-18 GRAD(Rho)y 0.1076453E-16 GRAD(Rho)z 0.1157069E-16 Laplacian 0.5258152E-01 (-1/4)Del**2(Rho)) -0.1314538E-01 Diamond 0.1090022E-02 Metallicity 0.7784542E+00 Ellipticity -0.5477577E+00 Gb(Abramov) 0.1046910E-01 Vb(Abramov) -0.7792818E-02 Hb(Abramov) 0.2676281E-02 Ex_ueg -0.1938269E-02 Ec_ueg -0.4409065E-03 Delta_ex -0.2283018E-02 Delta_ec 0.1855785E-03 Delta_et -0.1768596E-02 Pxc 0.4396101E+01 Qxc -0.1230217E+02 3,+3 118 3 -1 1.716332 -0.712408 -1.644682 Rho 0.2610799E-01 |GRAD(Rho)| 0.4238575E-16 GRAD(Rho)x -0.4174025E-16 GRAD(Rho)y -0.3544998E-17 GRAD(Rho)z 0.6460400E-17 Laplacian 0.9580874E-01 (-1/4)Del**2(Rho)) -0.2395218E-01 Diamond 0.1806518E-01 Metallicity 0.1652585E+01 Ellipticity 0.1052523E+00 Gb(Abramov) 0.2256529E-01 Vb(Abramov) -0.2117840E-01 Hb(Abramov) 0.1386891E-02 Ex_ueg -0.5720267E-02 Ec_ueg -0.1144660E-02 Delta_ex -0.6516577E-02 Delta_ec 0.2497573E-02 Delta_et -0.2210595E-01 Pxc 0.4997350E+01 Qxc -0.2609164E+01 3,-1 119 3 -1 1.716332 -0.712408 1.644682 Rho 0.2610799E-01 |GRAD(Rho)| 0.5617852E-16 GRAD(Rho)x 0.5119155E-16 GRAD(Rho)y 0.4307990E-17 GRAD(Rho)z 0.2273528E-16 Laplacian 0.9580874E-01 (-1/4)Del**2(Rho)) -0.2395218E-01 Diamond 0.1806518E-01 Metallicity 0.1652585E+01 Ellipticity 0.1052523E+00 Gb(Abramov) 0.2256529E-01 Vb(Abramov) -0.2117840E-01 Hb(Abramov) 0.1386891E-02 Ex_ueg -0.5720267E-02 Ec_ueg -0.1144660E-02 Delta_ex -0.6516577E-02 Delta_ec 0.2497573E-02 Delta_et -0.2210595E-01 Pxc 0.4997350E+01 Qxc -0.2609164E+01 3,-1 120 3 -1 0.006454 0.002088 4.571064 Rho 0.2285336E+00 |GRAD(Rho)| 0.1085384E-13 GRAD(Rho)x -0.3513086E-15 GRAD(Rho)y -0.1825336E-14 GRAD(Rho)z -0.1069349E-13 Laplacian 0.8474188E+00 (-1/4)Del**2(Rho)) -0.2118547E+00 Diamond 0.2823539E+01 Metallicity 0.6946486E+01 Ellipticity 0.1782614E-01 Gb(Abramov) 0.3865108E+00 Vb(Abramov) -0.5611668E+00 Hb(Abramov) -0.1746561E+00 Ex_ueg -0.1031934E+00 Ec_ueg -0.1365008E-01 Delta_ex -0.1010764E+00 Delta_ec 0.1896971E-01 Delta_et -0.2621554E+00 Pxc 0.7559912E+01 Qxc -0.5328308E+01 3,-1 121 3 -1 0.017073 0.820069 -3.245341 Rho 0.1253110E+00 |GRAD(Rho)| 0.1864555E-14 GRAD(Rho)x -0.9766798E-16 GRAD(Rho)y -0.1684823E-14 GRAD(Rho)z -0.7927144E-15 Laplacian 0.5184880E+00 (-1/4)Del**2(Rho)) -0.1296220E+00 Diamond 0.8532066E+00 Metallicity 0.4170518E+01 Ellipticity 0.4335488E-02 Gb(Abramov) 0.1765131E+00 Vb(Abramov) -0.2234043E+00 Hb(Abramov) -0.4689114E-01 Ex_ueg -0.4631313E-01 Ec_ueg -0.6882345E-02 Delta_ex -0.5338552E-01 Delta_ec 0.1389155E-01 Delta_et -0.1801429E+00 Pxc 0.6729266E+01 Qxc -0.3843021E+01 3,-1 122 3 -1 -0.053017 0.724467 -0.000000 Rho 0.1650165E+00 |GRAD(Rho)| 0.8713924E-16 GRAD(Rho)x 0.6071532E-16 GRAD(Rho)y 0.6245005E-16 GRAD(Rho)z 0.2624651E-17 Laplacian 0.4080831E+00 (-1/4)Del**2(Rho)) -0.1020208E+00 Diamond 0.9478206E+00 Metallicity 0.8383208E+01 Ellipticity 0.5127630E-02 Gb(Abramov) 0.2105574E+00 Vb(Abramov) -0.3190941E+00 Hb(Abramov) -0.1085367E+00 Ex_ueg -0.6684798E-01 Ec_ueg -0.9411618E-02 Delta_ex -0.4505013E-01 Delta_ec 0.1042805E-01 Delta_et -0.1414058E+00 Pxc 0.7102709E+01 Qxc -0.4320092E+01 3,-1 123 3 -1 0.017073 0.820069 3.245341 Rho 0.1253110E+00 |GRAD(Rho)| 0.1838010E-14 GRAD(Rho)x -0.1140208E-15 GRAD(Rho)y -0.1648638E-14 GRAD(Rho)z 0.8045322E-15 Laplacian 0.5184880E+00 (-1/4)Del**2(Rho)) -0.1296220E+00 Diamond 0.8532066E+00 Metallicity 0.4170518E+01 Ellipticity 0.4335488E-02 Gb(Abramov) 0.1765131E+00 Vb(Abramov) -0.2234043E+00 Hb(Abramov) -0.4689114E-01 Ex_ueg -0.4631313E-01 Ec_ueg -0.6882345E-02 Delta_ex -0.5338552E-01 Delta_ec 0.1389155E-01 Delta_et -0.1801429E+00 Pxc 0.6729266E+01 Qxc -0.3843021E+01 3,-1 124 3 -1 2.752447 -1.572289 -1.989680 Rho 0.1852917E+00 |GRAD(Rho)| 0.1358157E-13 GRAD(Rho)x -0.1258908E-13 GRAD(Rho)y -0.3644925E-14 GRAD(Rho)z 0.3562109E-14 Laplacian 0.7163388E+00 (-1/4)Del**2(Rho)) -0.1790847E+00 Diamond 0.1866104E+01 Metallicity 0.5793235E+01 Ellipticity 0.4367884E-01 Gb(Abramov) 0.2923031E+00 Vb(Abramov) -0.4055215E+00 Hb(Abramov) -0.1132184E+00 Ex_ueg -0.7801766E-01 Ec_ueg -0.1073981E-01 Delta_ex -0.8105084E-01 Delta_ec 0.1714957E-01 Delta_et -0.2339422E+00 Pxc 0.7264344E+01 Qxc -0.4726115E+01 3,-1 125 3 -1 2.752447 -1.572289 1.989680 Rho 0.1852917E+00 |GRAD(Rho)| 0.1342080E-13 GRAD(Rho)x -0.1249653E-13 GRAD(Rho)y -0.3294131E-14 GRAD(Rho)z -0.3619870E-14 Laplacian 0.7163388E+00 (-1/4)Del**2(Rho)) -0.1790847E+00 Diamond 0.1866104E+01 Metallicity 0.5793235E+01 Ellipticity 0.4367884E-01 Gb(Abramov) 0.2923031E+00 Vb(Abramov) -0.4055215E+00 Hb(Abramov) -0.1132184E+00 Ex_ueg -0.7801766E-01 Ec_ueg -0.1073981E-01 Delta_ex -0.8105084E-01 Delta_ec 0.1714957E-01 Delta_et -0.2339422E+00 Pxc 0.7264344E+01 Qxc -0.4726115E+01 3,-1 126 3 -1 -2.110882 0.892127 -0.732714 Rho 0.4190033E-01 |GRAD(Rho)| 0.3061998E-14 GRAD(Rho)x 0.2470291E-14 GRAD(Rho)y -0.1448739E-14 GRAD(Rho)z 0.1083814E-14 Laplacian 0.1144650E+00 (-1/4)Del**2(Rho)) -0.2861626E-01 Diamond 0.6789887E-01 Metallicity 0.3043005E+01 Ellipticity 0.4494979E-02 Gb(Abramov) 0.3359075E-01 Vb(Abramov) -0.3856523E-01 Hb(Abramov) -0.4974486E-02 Ex_ueg -0.1074835E-01 Ec_ueg -0.1972306E-02 Delta_ex -0.1022912E-01 Delta_ec 0.5583663E-02 Delta_et -0.5650693E-01 Pxc 0.5449635E+01 Qxc -0.1831972E+01 3,-1 127 3 -1 -2.110882 0.892127 0.732714 Rho 0.4190033E-01 |GRAD(Rho)| 0.3033925E-14 GRAD(Rho)x 0.2459601E-14 GRAD(Rho)y -0.1435972E-14 GRAD(Rho)z -0.1045487E-14 Laplacian 0.1144650E+00 (-1/4)Del**2(Rho)) -0.2861626E-01 Diamond 0.6789887E-01 Metallicity 0.3043005E+01 Ellipticity 0.4494979E-02 Gb(Abramov) 0.3359075E-01 Vb(Abramov) -0.3856523E-01 Hb(Abramov) -0.4974486E-02 Ex_ueg -0.1074835E-01 Ec_ueg -0.1972306E-02 Delta_ex -0.1022912E-01 Delta_ec 0.5583663E-02 Delta_et -0.5650693E-01 Pxc 0.5449635E+01 Qxc -0.1831972E+01 3,-1 128 3 -1 -0.964809 -0.224710 -3.456642 Rho 0.2266250E+00 |GRAD(Rho)| 0.2037101E-15 GRAD(Rho)x 0.1878922E-15 GRAD(Rho)y 0.5830297E-16 GRAD(Rho)z -0.5286841E-16 Laplacian 0.8789177E+00 (-1/4)Del**2(Rho)) -0.2197294E+00 Diamond 0.2865036E+01 Metallicity 0.6604571E+01 Ellipticity 0.1566432E-01 Gb(Abramov) 0.3883560E+00 Vb(Abramov) -0.5569826E+00 Hb(Abramov) -0.1686266E+00 Ex_ueg -0.1020459E+00 Ec_ueg -0.1351944E-01 Delta_ex -0.1044098E+00 Delta_ec 0.1937328E-01 Delta_et -0.2661909E+00 Pxc 0.7548085E+01 Qxc -0.5389371E+01 3,-1 129 3 -1 -0.964809 -0.224710 3.456642 Rho 0.2266250E+00 |GRAD(Rho)| 0.2517150E-15 GRAD(Rho)x 0.2478486E-15 GRAD(Rho)y -0.3088621E-16 GRAD(Rho)z 0.3126568E-16 Laplacian 0.8789176E+00 (-1/4)Del**2(Rho)) -0.2197294E+00 Diamond 0.2865036E+01 Metallicity 0.6604571E+01 Ellipticity 0.1566432E-01 Gb(Abramov) 0.3883560E+00 Vb(Abramov) -0.5569826E+00 Hb(Abramov) -0.1686266E+00 Ex_ueg -0.1020459E+00 Ec_ueg -0.1351944E-01 Delta_ex -0.1044098E+00 Delta_ec 0.1937328E-01 Delta_et -0.2661909E+00 Pxc 0.7548085E+01 Qxc -0.5389371E+01 3,-1 130 3 -1 0.439339 -1.898728 -1.597530 Rho 0.5124414E-01 |GRAD(Rho)| 0.9686105E-16 GRAD(Rho)x -0.6885319E-18 GRAD(Rho)y 0.9373521E-16 GRAD(Rho)z 0.2439878E-16 Laplacian 0.2024153E+00 (-1/4)Del**2(Rho)) -0.5060383E-01 Diamond 0.1065329E+00 Metallicity 0.2406819E+01 Ellipticity 0.1737371E-01 Gb(Abramov) 0.5403493E-01 Vb(Abramov) -0.5746603E-01 Hb(Abramov) -0.3431100E-02 Ex_ueg -0.1405758E-01 Ec_ueg -0.2483760E-02 Delta_ex -0.1678304E-01 Delta_ec 0.6062578E-02 Delta_et -0.6434939E-01 Pxc 0.5659799E+01 Qxc -0.2768301E+01 3,-1 131 3 -1 0.439339 -1.898728 1.597530 Rho 0.5124414E-01 |GRAD(Rho)| 0.5554693E-16 GRAD(Rho)x 0.3037407E-20 GRAD(Rho)y 0.5411948E-16 GRAD(Rho)z -0.1251174E-16 Laplacian 0.2024153E+00 (-1/4)Del**2(Rho)) -0.5060383E-01 Diamond 0.1065329E+00 Metallicity 0.2406819E+01 Ellipticity 0.1737371E-01 Gb(Abramov) 0.5403493E-01 Vb(Abramov) -0.5746603E-01 Hb(Abramov) -0.3431100E-02 Ex_ueg -0.1405758E-01 Ec_ueg -0.2483760E-02 Delta_ex -0.1678304E-01 Delta_ec 0.6062578E-02 Delta_et -0.6434939E-01 Pxc 0.5659799E+01 Qxc -0.2768301E+01 3,-1 132 3 -1 0.498336 3.294024 -1.508116 Rho 0.1495130E+00 |GRAD(Rho)| 0.4096613E-12 GRAD(Rho)x -0.2559613E-12 GRAD(Rho)y 0.2013970E-12 GRAD(Rho)z 0.2484862E-12 Laplacian 0.5908371E+00 (-1/4)Del**2(Rho)) -0.1477093E+00 Diamond 0.1192798E+01 Metallicity 0.4912209E+01 Ellipticity 0.4177576E-01 Gb(Abramov) 0.2194027E+00 Vb(Abramov) -0.2910960E+00 Hb(Abramov) -0.7169338E-01 Ex_ueg -0.5860800E-01 Ec_ueg -0.8412344E-02 Delta_ex -0.6340099E-01 Delta_ec 0.1500541E-01 Delta_et -0.1996666E+00 Pxc 0.6966904E+01 Qxc -0.4225209E+01 3,-1 133 3 -1 0.498336 3.294024 1.508116 Rho 0.1495130E+00 |GRAD(Rho)| 0.4300844E-13 GRAD(Rho)x -0.3971986E-13 GRAD(Rho)y -0.4819509E-14 GRAD(Rho)z 0.1577440E-13 Laplacian 0.5908371E+00 (-1/4)Del**2(Rho)) -0.1477093E+00 Diamond 0.1192798E+01 Metallicity 0.4912209E+01 Ellipticity 0.4177576E-01 Gb(Abramov) 0.2194027E+00 Vb(Abramov) -0.2910960E+00 Hb(Abramov) -0.7169338E-01 Ex_ueg -0.5860800E-01 Ec_ueg -0.8412344E-02 Delta_ex -0.6340099E-01 Delta_ec 0.1500541E-01 Delta_et -0.1996666E+00 Pxc 0.6966904E+01 Qxc -0.4225209E+01 3,-1 134 3 -1 1.881001 3.046383 -0.703976 Rho 0.1244471E+00 |GRAD(Rho)| 0.7177602E-15 GRAD(Rho)x 0.5282369E-15 GRAD(Rho)y -0.1894982E-15 GRAD(Rho)z 0.4474773E-15 Laplacian 0.4945157E+00 (-1/4)Del**2(Rho)) -0.1236289E+00 Diamond 0.8016045E+00 Metallicity 0.4322561E+01 Ellipticity 0.2939561E-01 Gb(Abramov) 0.1714849E+00 Vb(Abramov) -0.2193408E+00 Hb(Abramov) -0.4785594E-01 Ex_ueg -0.4588789E-01 Ec_ueg -0.6828439E-02 Delta_ex -0.5076387E-01 Delta_ec 0.1314729E-01 Delta_et -0.1700775E+00 Pxc 0.6720115E+01 Qxc -0.3861164E+01 3,-1 135 3 -1 1.881001 3.046383 0.703976 Rho 0.1244471E+00 |GRAD(Rho)| 0.4376826E-15 GRAD(Rho)x 0.3797486E-15 GRAD(Rho)y -0.9416973E-16 GRAD(Rho)z -0.1961864E-15 Laplacian 0.4945157E+00 (-1/4)Del**2(Rho)) -0.1236289E+00 Diamond 0.8016045E+00 Metallicity 0.4322561E+01 Ellipticity 0.2939561E-01 Gb(Abramov) 0.1714849E+00 Vb(Abramov) -0.2193408E+00 Hb(Abramov) -0.4785594E-01 Ex_ueg -0.4588789E-01 Ec_ueg -0.6828439E-02 Delta_ex -0.5076387E-01 Delta_ec 0.1314729E-01 Delta_et -0.1700775E+00 Pxc 0.6720115E+01 Qxc -0.3861164E+01 3,-1 136 3 -1 3.949278 -0.658235 -2.237490 Rho 0.2333342E+00 |GRAD(Rho)| 0.9195758E-11 GRAD(Rho)x 0.8651885E-11 GRAD(Rho)y -0.2002786E-12 GRAD(Rho)z -0.3109138E-11 Laplacian 0.8352502E+00 (-1/4)Del**2(Rho)) -0.2088125E+00 Diamond 0.2871213E+01 Metallicity 0.7296153E+01 Ellipticity 0.2894277E-02 Gb(Abramov) 0.3931297E+00 Vb(Abramov) -0.5774469E+00 Hb(Abramov) -0.1843172E+00 Ex_ueg -0.1060937E+00 Ec_ueg -0.1397954E-01 Delta_ex -0.1002631E+00 Delta_ec 0.1875933E-01 Delta_et -0.2602301E+00 Pxc 0.7589211E+01 Qxc -0.5344704E+01 3,-1 137 3 -1 3.949278 -0.658235 2.237490 Rho 0.2333342E+00 |GRAD(Rho)| 0.2276327E-12 GRAD(Rho)x -0.2144958E-12 GRAD(Rho)y 0.2989145E-14 GRAD(Rho)z -0.7615279E-13 Laplacian 0.8352502E+00 (-1/4)Del**2(Rho)) -0.2088125E+00 Diamond 0.2871213E+01 Metallicity 0.7296153E+01 Ellipticity 0.2894277E-02 Gb(Abramov) 0.3931297E+00 Vb(Abramov) -0.5774469E+00 Hb(Abramov) -0.1843172E+00 Ex_ueg -0.1060937E+00 Ec_ueg -0.1397954E-01 Delta_ex -0.1002631E+00 Delta_ec 0.1875933E-01 Delta_et -0.2602301E+00 Pxc 0.7589211E+01 Qxc -0.5344704E+01 3,-1 138 3 -1 3.171146 -0.741979 0.894582 Rho 0.1384596E+00 |GRAD(Rho)| 0.6417292E-15 GRAD(Rho)x -0.2890415E-16 GRAD(Rho)y 0.8036987E-16 GRAD(Rho)z 0.6360201E-15 Laplacian 0.5871967E+00 (-1/4)Del**2(Rho)) -0.1467992E+00 Diamond 0.1082199E+01 Metallicity 0.4348785E+01 Ellipticity 0.1119303E-01 Gb(Abramov) 0.2042658E+00 Vb(Abramov) -0.2617324E+00 Hb(Abramov) -0.5746661E-01 Ex_ueg -0.5290326E-01 Ec_ueg -0.7708905E-02 Delta_ex -0.6185197E-01 Delta_ec 0.1522098E-01 Delta_et -0.2003238E+00 Pxc 0.6862617E+01 Qxc -0.4063599E+01 3,-1 139 3 -1 2.522264 -0.332872 -2.698888 Rho 0.1762627E+00 |GRAD(Rho)| 0.1723565E-15 GRAD(Rho)x 0.3905838E-16 GRAD(Rho)y -0.1629556E-15 GRAD(Rho)z 0.4033232E-16 Laplacian 0.6850803E+00 (-1/4)Del**2(Rho)) -0.1712701E+00 Diamond 0.1683030E+01 Metallicity 0.5573642E+01 Ellipticity 0.3557417E-01 Gb(Abramov) 0.2732797E+00 Vb(Abramov) -0.3752894E+00 Hb(Abramov) -0.1020097E+00 Ex_ueg -0.7299038E-01 Ec_ueg -0.1014540E-01 Delta_ex -0.7656280E-01 Delta_ec 0.1665184E-01 Delta_et -0.2260806E+00 Pxc 0.7194430E+01 Qxc -0.4597858E+01 3,-1 140 3 -1 3.171146 -0.741979 -0.894582 Rho 0.1384596E+00 |GRAD(Rho)| 0.2873212E-15 GRAD(Rho)x -0.3304445E-16 GRAD(Rho)y -0.1108427E-16 GRAD(Rho)z 0.2851994E-15 Laplacian 0.5871967E+00 (-1/4)Del**2(Rho)) -0.1467992E+00 Diamond 0.1082199E+01 Metallicity 0.4348785E+01 Ellipticity 0.1119303E-01 Gb(Abramov) 0.2042658E+00 Vb(Abramov) -0.2617324E+00 Hb(Abramov) -0.5746661E-01 Ex_ueg -0.5290326E-01 Ec_ueg -0.7708905E-02 Delta_ex -0.6185197E-01 Delta_ec 0.1522098E-01 Delta_et -0.2003238E+00 Pxc 0.6862617E+01 Qxc -0.4063599E+01 3,-1 141 3 -1 2.522264 -0.332872 2.698888 Rho 0.1762627E+00 |GRAD(Rho)| 0.6680289E-15 GRAD(Rho)x -0.4374214E-15 GRAD(Rho)y 0.2280077E-15 GRAD(Rho)z 0.4504860E-15 Laplacian 0.6850803E+00 (-1/4)Del**2(Rho)) -0.1712701E+00 Diamond 0.1683030E+01 Metallicity 0.5573642E+01 Ellipticity 0.3557417E-01 Gb(Abramov) 0.2732797E+00 Vb(Abramov) -0.3752894E+00 Hb(Abramov) -0.1020097E+00 Ex_ueg -0.7299038E-01 Ec_ueg -0.1014540E-01 Delta_ex -0.7656280E-01 Delta_ec 0.1665184E-01 Delta_et -0.2260806E+00 Pxc 0.7194430E+01 Qxc -0.4597858E+01 3,-1 142 3 +1 0.471520 -1.746596 0.000000 Rho 0.9073807E-02 |GRAD(Rho)| 0.2643307E-17 GRAD(Rho)x 0.1001835E-17 GRAD(Rho)y 0.1970913E-17 GRAD(Rho)z -0.1448758E-17 Laplacian 0.3682719E-01 (-1/4)Del**2(Rho)) -0.9206798E-02 Diamond 0.1042952E-02 Metallicity 0.7386303E+00 Ellipticity -0.1405829E+01 Gb(Abramov) 0.7271269E-02 Vb(Abramov) -0.5335739E-02 Hb(Abramov) 0.1935529E-02 Ex_ueg -0.1397777E-02 Ec_ueg -0.3262291E-03 Delta_ex -0.1698183E-02 Delta_ec 0.5052220E-03 Delta_et -0.3511410E-02 Pxc 0.4284648E+01 Qxc -0.3361261E+01 3,+1 143 3 -1 0.689936 -3.173284 -0.877139 Rho 0.1385310E+00 |GRAD(Rho)| 0.1790497E-15 GRAD(Rho)x 0.5622266E-16 GRAD(Rho)y -0.8963303E-16 GRAD(Rho)z 0.1444428E-15 Laplacian 0.5728666E+00 (-1/4)Del**2(Rho)) -0.1432166E+00 Diamond 0.1060143E+01 Metallicity 0.4461403E+01 Ellipticity 0.3596956E-02 Gb(Abramov) 0.2019690E+00 Vb(Abramov) -0.2607213E+00 Hb(Abramov) -0.5875230E-01 Ex_ueg -0.5293966E-01 Ec_ueg -0.7713427E-02 Delta_ex -0.6039107E-01 Delta_ec 0.1492084E-01 Delta_et -0.1965389E+00 Pxc 0.6863312E+01 Qxc -0.4047432E+01 3,-1 144 3 -1 0.689936 -3.173284 0.877139 Rho 0.1385310E+00 |GRAD(Rho)| 0.1197108E-15 GRAD(Rho)x -0.8254844E-16 GRAD(Rho)y -0.5628026E-16 GRAD(Rho)z 0.6594660E-16 Laplacian 0.5728666E+00 (-1/4)Del**2(Rho)) -0.1432166E+00 Diamond 0.1060143E+01 Metallicity 0.4461403E+01 Ellipticity 0.3596956E-02 Gb(Abramov) 0.2019690E+00 Vb(Abramov) -0.2607213E+00 Hb(Abramov) -0.5875230E-01 Ex_ueg -0.5293966E-01 Ec_ueg -0.7713427E-02 Delta_ex -0.6039107E-01 Delta_ec 0.1492084E-01 Delta_et -0.1965389E+00 Pxc 0.6863312E+01 Qxc -0.4047432E+01 3,-1 145 3 -1 0.679459 -3.947250 2.218845 Rho 0.2278115E+00 |GRAD(Rho)| 0.4879972E-08 GRAD(Rho)x 0.1167497E-08 GRAD(Rho)y -0.4404714E-08 GRAD(Rho)z 0.1746300E-08 Laplacian 0.8468406E+00 (-1/4)Del**2(Rho)) -0.2117101E+00 Diamond 0.2808985E+01 Metallicity 0.6914663E+01 Ellipticity 0.1700396E-01 Gb(Abramov) 0.3851241E+00 Vb(Abramov) -0.5585381E+00 Hb(Abramov) -0.1734140E+00 Ex_ueg -0.1027589E+00 Ec_ueg -0.1360063E-01 Delta_ex -0.1009136E+00 Delta_ec 0.1895476E-01 Delta_et -0.2618297E+00 Pxc 0.7555449E+01 Qxc -0.5323921E+01 3,-1 146 3 -1 0.679459 -3.947250 -2.218845 Rho 0.2278115E+00 |GRAD(Rho)| 0.8504073E-13 GRAD(Rho)x 0.8044894E-13 GRAD(Rho)y -0.1862638E-13 GRAD(Rho)z -0.2032123E-13 Laplacian 0.8468406E+00 (-1/4)Del**2(Rho)) -0.2117101E+00 Diamond 0.2808985E+01 Metallicity 0.6914663E+01 Ellipticity 0.1700396E-01 Gb(Abramov) 0.3851241E+00 Vb(Abramov) -0.5585381E+00 Hb(Abramov) -0.1734140E+00 Ex_ueg -0.1027589E+00 Ec_ueg -0.1360063E-01 Delta_ex -0.1009136E+00 Delta_ec 0.1895476E-01 Delta_et -0.2618297E+00 Pxc 0.7555449E+01 Qxc -0.5323921E+01 3,-1 147 3 -1 -2.217609 1.524160 -1.211798 Rho 0.3106438E+00 |GRAD(Rho)| 0.3099869E-11 GRAD(Rho)x -0.2437412E-11 GRAD(Rho)y 0.1906292E-11 GRAD(Rho)z -0.1850946E-12 Laplacian -0.1561158E+01 (-1/4)Del**2(Rho)) 0.3902895E+00 Diamond 0.5360663E+01 Metallicity -0.6289326E+01 Ellipticity 0.1552917E-02 Gb(Abramov) 0.1489167E+00 Vb(Abramov) -0.6881229E+00 Hb(Abramov) -0.5392062E+00 Ex_ueg -0.1553825E+00 Ec_ueg -0.1945941E-01 Delta_ex 0.1533007E+00 Delta_ec 0.5511497E-01 Delta_et -0.1290138E+01 Pxc 0.7984952E+01 Qxc 0.2781472E+01 3,-1 148 3 -1 -2.217609 1.524160 1.211798 Rho 0.3106438E+00 |GRAD(Rho)| 0.3099620E-11 GRAD(Rho)x -0.2437411E-11 GRAD(Rho)y 0.1905879E-11 GRAD(Rho)z 0.1851879E-12 Laplacian -0.1561158E+01 (-1/4)Del**2(Rho)) 0.3902895E+00 Diamond 0.5360663E+01 Metallicity -0.6289326E+01 Ellipticity 0.1552917E-02 Gb(Abramov) 0.1489167E+00 Vb(Abramov) -0.6881229E+00 Hb(Abramov) -0.5392062E+00 Ex_ueg -0.1553825E+00 Ec_ueg -0.1945941E-01 Delta_ex 0.1533007E+00 Delta_ec 0.5511497E-01 Delta_et -0.1290138E+01 Pxc 0.7984952E+01 Qxc 0.2781472E+01 3,-1 149 3 -1 -1.127834 -0.049845 0.000000 Rho 0.1933690E+00 |GRAD(Rho)| 0.3887485E-15 GRAD(Rho)x 0.3885781E-15 GRAD(Rho)y -0.1149254E-16 GRAD(Rho)z 0.6431373E-18 Laplacian 0.5095478E+00 (-1/4)Del**2(Rho)) -0.1273869E+00 Diamond 0.1371238E+01 Metallicity 0.8744595E+01 Ellipticity 0.6136011E-02 Gb(Abramov) 0.2705825E+00 Vb(Abramov) -0.4137780E+00 Hb(Abramov) -0.1431955E+00 Ex_ueg -0.8258494E-01 Ec_ueg -0.1127550E-01 Delta_ex -0.5809574E-01 Delta_ec 0.1173069E-01 Delta_et -0.1595743E+00 Pxc 0.7324283E+01 Qxc -0.4952457E+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 64 130 143 111 81 113 146 68 53 110 91 49 133 52 119 138 98 125 141 137 61 121 128 69 59 87 88 85 86 134 135 120 62 129 123 57 72 131 112 144 114 83 145 118 99 140 139 124 136 50 92 109 51 132 48 65 149 127 126 122 66 103 100 147 148 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 14 14 14 15 16 19 21 21 23 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 36 45 46 36 36 23 28 46 45 2.358852 1.943536 1.760859 2.185777 1.974740 1.763160 1.761902 2.389123 1.941915 1.917399 1.965883 1.925130 1.746493 2.660583 1.943012 2.048918 1.841878 1.861345 1.754505 2.387270 1.983221 1.764759 2.130312 1.953382 1.749573 2.469762 1.863808 1.863808 1.998298 1.998298 1.761902 2.387270 1.764759 1.983221 1.953382 2.130312 2.358852 1.760859 1.943536 1.974740 2.185777 1.763160 2.660583 2.048918 1.943012 1.861345 1.841878 1.754505 2.389123 1.917399 1.941915 1.746493 1.925130 1.965883 1.732457 1.682561 1.759095 1.759095 1.752089 1.732457 3.063608 3.063608 1.003780 1.003780 2.360458 1.943875 1.760887 2.186295 1.975309 1.763177 1.761922 2.390771 1.943339 1.917900 1.966417 1.925627 1.746502 2.662091 1.943406 2.049290 1.842200 1.861757 1.754526 2.389124 1.983511 1.764801 2.130823 1.953937 1.749583 2.471299 1.864240 1.864236 1.998855 1.998855 1.761929 2.389123 1.764803 1.983510 1.953937 2.130821 2.360456 1.760886 1.943874 1.975321 2.186294 1.763177 2.662091 2.049289 1.943406 1.861757 1.842200 1.754528 2.390770 1.917899 1.943340 1.746500 1.925684 1.966418 1.732519 1.682651 1.765168 1.765167 1.752096 1.732519 3.070784 3.070784 1.003862 1.003862 27 23 22 25 23 21 21 27 23 25 23 23 23 29 23 24 23 22 23 27 23 21 25 24 23 29 23 22 23 23 25 27 21 23 24 25 27 22 23 25 25 21 29 24 23 22 23 23 27 24 23 22 25 23 24 21 25 25 21 21 33 33 17 18 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 W 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 As O O O O O O O O H H 2.3416 -0.8581 2.4466 2.4083 2.3473 2.4750 2.3473 -0.8316 -0.8581 2.3416 2.4083 2.4466 -1.0875 -0.9177 -1.1049 -1.0875 -0.8220 -0.9761 -0.8206 -0.9576 -0.7966 -0.9876 -0.7966 -0.9919 -0.9761 -0.8220 -0.9576 -0.8206 -0.9786 -0.8198 -0.9876 -1.0061 -0.9618 -0.9751 -0.9618 2.2669 -0.8616 -0.9786 -1.0061 -0.9876 -0.8616 -0.8506 -0.8198 -0.8506 0.2744 0.2744 2.1320 1.9535 2.1032 2.1045 2.1286 2.0878 2.1286 1.9588 1.9535 2.1320 2.1045 2.1032 1.9356 1.9565 1.9285 1.9356 1.9559 1.9274 1.9562 1.9328 1.8727 1.9271 1.8727 1.9277 1.9274 1.9559 1.9328 1.9562 1.9398 1.9597 1.9390 1.9364 1.9422 1.9364 1.9422 0.8849 1.9532 1.9398 1.9364 1.9390 1.9532 1.9563 1.9597 1.9563 0.5688 0.5688 6.1140 4.8729 6.0985 6.0990 6.1131 6.0819 6.1131 4.8392 4.8729 6.1140 6.0990 6.0985 5.1174 4.9259 5.1422 5.1174 4.8337 5.0206 4.8321 4.9946 4.8940 5.0319 4.8940 5.0357 5.0206 4.8337 4.9946 4.8321 5.0092 4.8262 5.0180 5.0388 4.9894 5.0081 4.9894 1.3023 4.8769 5.0092 5.0388 5.0180 4.8769 4.8614 4.8262 4.8614 0.1568 0.1568 3.3837 0.0317 3.3225 3.3590 3.3823 3.3256 3.3823 0.0336 0.0317 3.3837 3.3590 3.3225 0.0344 0.0352 0.0342 0.0344 0.0324 0.0281 0.0323 0.0303 0.0299 0.0287 0.0299 0.0285 0.0281 0.0324 0.0303 0.0323 0.0296 0.0339 0.0307 0.0309 0.0302 0.0306 0.0302 10.5459 0.0315 0.0296 0.0309 0.0307 0.0315 0.0329 0.0339 0.0329 0.0000 0.0000 14.0287 0.0000 14.0293 14.0292 14.0287 14.0297 14.0287 0.0000 0.0000 14.0287 14.0292 14.0293 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 W 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 As O O O O O O O O H H 2.473286 -0.911609 2.507167 2.484006 2.473371 2.501010 2.473371 -0.874923 -0.911609 2.473286 2.484006 2.507167 -1.084110 -0.857757 -1.097431 -1.084110 -0.887939 -0.986942 -0.882975 -0.971911 -0.645617 -0.995973 -0.645617 -0.994690 -0.986942 -0.887939 -0.971911 -0.882975 -0.985713 -0.861009 -0.975092 -0.989219 -0.975649 -0.978944 -0.975649 2.294063 -0.915251 -0.985713 -0.989219 -0.975092 -0.915251 -0.898320 -0.861009 -0.898320 0.035848 0.035848 1.933999 -0.828055 1.943538 1.921806 1.930570 1.928499 1.930570 -0.786894 -0.828055 1.933999 1.921806 1.943538 -0.726140 -0.734225 -0.734717 -0.726140 -0.798719 -0.731056 -0.790693 -0.748551 -0.798171 -0.726366 -0.798171 -0.720134 -0.731056 -0.798719 -0.748551 -0.790693 -0.828549 -0.756493 -0.807232 -0.810721 -0.830157 -0.799793 -0.830157 1.714020 -0.833901 -0.828549 -0.810721 -0.807232 -0.833901 -0.812361 -0.756493 -0.812361 0.300693 0.300693 2.027612 -0.802460 2.030875 2.023178 2.024575 2.032636 2.024575 -0.747956 -0.802460 2.027612 2.023178 2.030875 -0.797800 -0.733610 -0.806970 -0.797800 -0.802983 -0.820228 -0.808710 -0.822102 -0.833841 -0.839133 -0.833841 -0.820890 -0.820228 -0.802983 -0.822102 -0.808710 -0.852816 -0.732770 -0.851592 -0.872372 -0.848784 -0.840145 -0.848784 1.702122 -0.810331 -0.852816 -0.872372 -0.851592 -0.810331 -0.780508 -0.732770 -0.780508 0.358028 0.358028 -21.82016006 4.75220279 -0.00000000 22.33165503 75.44417732 20.37503022 0.00000000 -26.60543558 -0.00000000 -48.83874175 -321.0661 359.6387 -18.9722 -357.9986 -60.8270 -399.2252 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 0 Mar03-2024 05:08:08 Nodes: 1 Procs: 1 Mar03-2024 05:08:09 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar03-2024 05:08:10 Nodes: 1 Procs: 1 Mar03-2024 05:08:11 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar03-2024 05:08:13 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -14.59127759 -14.66244990 -14.66602366 -14.66800230 -14.66865495 -14.66916036 -14.67021997 -14.67088052 -14.67113566 -14.67123047 -14.67117773 -14.67122732 -14.67125686 GEOMETRY CONVERGED