ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 07:35:15 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.61 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 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 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar11-2024 07:35:15 Nodes: 1 Procs: 1 Mar11-2024 07:35:16 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 07:35:17 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Mar11-2024 07:35:15 Nodes: 1 Procs: 1 Mar11-2024 07:35:16 Nodes: 1 Procs: 1 0 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 07:35:17 Silicon (TZP, 1s frozen) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.04 1.40 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 Mar11-2024 07:35:15 Nodes: 1 Procs: 1 Mar11-2024 07:35:16 Nodes: 1 Procs: 1 0 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Mar11-2024 07:35:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar11-2024 07:35:20 Silicon (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2674.302100000006 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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 Mar11-2024 07:35:18 1 1 Tungsten TZP 4d t21.Si ADF 2019 Mar11-2024 07:35:16 1 1 Silicon TZP 1s t21.O ADF 2019 Mar11-2024 07:35:17 1 1 Oxygen TZP 1s 1 1 -17.00558937 0.13984452 0.00100000 F 0.03284451 0.00066667 F 0.13984452 0.03284451 0.07680957 0.01000000 F 0.02079365 0.00666667 F Cartesian 2674.302100000006 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1.343190 0.000000 -3.021934 0.084981 1.587500 3.022715 -1.562512 0.000000 -3.021934 0.084981 -1.587500 3.052879 1.703536 0.000000 1.363659 -3.133700 -1.516102 1.134446 2.914207 1.306924 -1.125668 -1.296114 -2.890452 -1.121665 1.357163 2.921366 -1.121665 1.357163 -2.921366 -1.125668 -1.296114 2.890452 1.134446 2.914207 -1.306924 1.363659 -3.133700 1.516102 3.445022 0.107072 2.148695 -3.475908 -2.212241 0.000000 3.445022 0.107072 -2.148695 -3.433462 2.271978 0.000000 1.499789 1.395825 3.478208 1.556877 -1.294614 -3.523804 -1.486478 3.526098 1.352296 -1.799649 -3.691001 -1.676721 -1.799649 -3.691001 1.676721 -1.486478 3.526098 -1.352296 1.556877 -1.294614 3.523804 1.499789 1.395825 -3.478208 -0.218172 0.008897 5.238383 3.880123 -2.650599 -2.511967 -0.218172 0.008897 -5.238383 0.252534 5.288480 0.000000 3.880123 -2.650599 2.511967 3.726649 2.874205 -2.512709 -3.728892 2.521206 -2.802851 -3.825736 -2.243530 2.775481 -3.825736 -2.243530 -2.775481 -3.728892 2.521206 2.802851 3.726649 2.874205 2.512709 1 3 -3 0.124829 0.004512 3.517894 Rho 0.4361414E+07 3,-3 2 3 -3 0.124829 0.004512 -3.517894 Rho 0.4361414E+07 3,-3 3 3 -3 -0.125913 3.572047 0.000000 Rho 0.4361415E+07 3,-3 4 3 -3 2.474114 -1.818680 1.838866 Rho 0.4361415E+07 3,-3 5 3 -3 2.574101 1.715182 -1.877491 Rho 0.4361415E+07 3,-3 6 3 -3 -2.549336 1.835190 -1.690223 Rho 0.4361414E+07 3,-3 7 3 -3 -2.460889 -2.062215 1.662303 Rho 0.4361415E+07 3,-3 8 3 -3 -2.460889 -2.062215 -1.662303 Rho 0.4361415E+07 3,-3 9 3 -3 -2.549336 1.835190 1.690223 Rho 0.4361414E+07 3,-3 10 3 -3 2.574101 1.715182 1.877491 Rho 0.4361415E+07 3,-3 11 3 -3 2.474114 -1.818680 -1.838866 Rho 0.4361415E+07 3,-3 12 3 -3 -0.075720 -0.072370 0.000000 Rho 0.1943329E+04 3,-3 13 3 -3 0.916530 -0.084025 1.335722 Rho 0.3186804E+03 3,-3 14 3 -3 -1.114782 -1.347401 0.000000 Rho 0.3186358E+03 3,-3 15 3 -3 0.916530 -0.084025 -1.335722 Rho 0.3186804E+03 3,-3 16 3 -3 -0.958634 1.343190 0.000000 Rho 0.3186694E+03 3,-3 17 3 -3 -3.021934 0.084981 1.587500 Rho 0.3190338E+03 3,-3 18 3 -3 3.022715 -1.562512 0.000000 Rho 0.3188168E+03 3,-3 19 3 -3 -3.021934 0.084981 -1.587500 Rho 0.3190338E+03 3,-3 20 3 -3 3.052879 1.703536 0.000000 Rho 0.3188443E+03 3,-3 21 3 -3 1.363659 -3.133700 -1.516102 Rho 0.3193164E+03 3,-3 22 3 -3 1.134446 2.914207 1.306924 Rho 0.3188714E+03 3,-3 23 3 -3 -1.125668 -1.296114 -2.890452 Rho 0.3188368E+03 3,-3 24 3 -3 -1.121665 1.357163 2.921366 Rho 0.3188614E+03 3,-3 25 3 -3 -1.121665 1.357163 -2.921366 Rho 0.3188614E+03 3,-3 26 3 -3 -1.125668 -1.296114 2.890452 Rho 0.3188368E+03 3,-3 27 3 -3 1.134446 2.914207 -1.306924 Rho 0.3188714E+03 3,-3 28 3 -3 1.363659 -3.133700 1.516102 Rho 0.3193164E+03 3,-3 29 3 -3 3.445022 0.107072 2.148695 Rho 0.3190207E+03 3,-3 30 3 -3 -3.475908 -2.212241 0.000000 Rho 0.3188988E+03 3,-3 31 3 -3 3.445022 0.107072 -2.148695 Rho 0.3190207E+03 3,-3 32 3 -3 -3.433462 2.271978 0.000000 Rho 0.3189216E+03 3,-3 33 3 -3 1.499789 1.395825 3.478208 Rho 0.3189220E+03 3,-3 34 3 -3 1.556877 -1.294614 -3.523804 Rho 0.3189224E+03 3,-3 35 3 -3 -1.486478 3.526098 1.352296 Rho 0.3189446E+03 3,-3 36 3 -3 -1.799649 -3.691001 -1.676721 Rho 0.3192418E+03 3,-3 37 3 -3 -1.799649 -3.691001 1.676721 Rho 0.3192418E+03 3,-3 38 3 -3 -1.486478 3.526098 -1.352296 Rho 0.3189446E+03 3,-3 39 3 -3 1.556877 -1.294614 3.523804 Rho 0.3189224E+03 3,-3 40 3 -3 1.499789 1.395825 -3.478208 Rho 0.3189220E+03 3,-3 41 3 -3 -0.218172 0.008897 5.238383 Rho 0.3192532E+03 3,-3 42 3 -3 3.880123 -2.650599 -2.511967 Rho 0.3191940E+03 3,-3 43 3 -3 -0.218172 0.008897 -5.238383 Rho 0.3192532E+03 3,-3 44 3 -3 0.252534 5.288480 0.000000 Rho 0.3192272E+03 3,-3 45 3 -3 3.880123 -2.650599 2.511967 Rho 0.3191940E+03 3,-3 46 3 -3 3.726649 2.874205 -2.512709 Rho 0.3192400E+03 3,-3 47 3 -3 -3.728892 2.521206 -2.802851 Rho 0.3192205E+03 3,-3 48 3 -3 -3.825736 -2.243530 2.775481 Rho 0.3191919E+03 3,-3 49 3 -3 -3.825736 -2.243530 -2.775481 Rho 0.3191919E+03 3,-3 50 3 -3 -3.728892 2.521206 2.802851 Rho 0.3192205E+03 3,-3 51 3 -3 3.726649 2.874205 2.512709 Rho 0.3192400E+03 3,-3 52 3 +1 -1.731295 0.025146 -0.707307 Rho 0.9771573E-02 |GRAD(Rho)| 0.8134729E-13 GRAD(Rho)x -0.5073799E-13 GRAD(Rho)y 0.6125404E-13 GRAD(Rho)z -0.1705817E-13 Laplacian 0.3951089E-01 (-1/4)Del**2(Rho)) -0.9877722E-02 Diamond 0.1226619E-02 Metallicity 0.7789397E+00 Ellipticity -0.1430253E+01 Gb(Abramov) 0.7867506E-02 Vb(Abramov) -0.5857290E-02 Hb(Abramov) 0.2010216E-02 Ex_ueg -0.1542900E-02 Ec_ueg -0.3576997E-03 Delta_ex -0.1852518E-02 Delta_ec 0.5342857E-03 Delta_et -0.3790068E-02 Pxc 0.4313393E+01 Qxc -0.3467279E+01 3,+1 53 3 +1 2.017880 0.018120 -2.804257 Rho 0.1225373E-01 |GRAD(Rho)| 0.3154241E-15 GRAD(Rho)x -0.2718789E-16 GRAD(Rho)y -0.1945115E-16 GRAD(Rho)z 0.3136476E-15 Laplacian 0.5596920E-01 (-1/4)Del**2(Rho)) -0.1399230E-01 Diamond 0.1721823E-02 Metallicity 0.8018831E+00 Ellipticity -0.1076559E+01 Gb(Abramov) 0.1119823E-01 Vb(Abramov) -0.8404163E-02 Hb(Abramov) 0.2794069E-02 Ex_ueg -0.2086456E-02 Ec_ueg -0.4712945E-03 Delta_ex -0.2601643E-02 Delta_ec 0.4323712E-03 Delta_et -0.3482146E-02 Pxc 0.4427075E+01 Qxc -0.6017150E+01 3,+1 54 3 +1 2.017880 0.018120 2.804257 Rho 0.1225373E-01 |GRAD(Rho)| 0.3165057E-15 GRAD(Rho)x -0.2874538E-16 GRAD(Rho)y -0.1881561E-16 GRAD(Rho)z -0.3146355E-15 Laplacian 0.5596920E-01 (-1/4)Del**2(Rho)) -0.1399230E-01 Diamond 0.1721823E-02 Metallicity 0.8018831E+00 Ellipticity -0.1076559E+01 Gb(Abramov) 0.1119823E-01 Vb(Abramov) -0.8404163E-02 Hb(Abramov) 0.2794069E-02 Ex_ueg -0.2086456E-02 Ec_ueg -0.4712945E-03 Delta_ex -0.2601643E-02 Delta_ec 0.4323712E-03 Delta_et -0.3482146E-02 Pxc 0.4427075E+01 Qxc -0.6017150E+01 3,+1 55 3 +1 -1.731295 0.025146 0.707307 Rho 0.9771573E-02 |GRAD(Rho)| 0.8160192E-13 GRAD(Rho)x -0.5090596E-13 GRAD(Rho)y 0.6144478E-13 GRAD(Rho)z 0.1708788E-13 Laplacian 0.3951089E-01 (-1/4)Del**2(Rho)) -0.9877722E-02 Diamond 0.1226619E-02 Metallicity 0.7789397E+00 Ellipticity -0.1430253E+01 Gb(Abramov) 0.7867506E-02 Vb(Abramov) -0.5857290E-02 Hb(Abramov) 0.2010216E-02 Ex_ueg -0.1542900E-02 Ec_ueg -0.3576997E-03 Delta_ex -0.1852518E-02 Delta_ec 0.5342857E-03 Delta_et -0.3790068E-02 Pxc 0.4313393E+01 Qxc -0.3467279E+01 3,+1 56 3 +1 -1.268391 2.376789 -0.705381 Rho 0.2784414E-01 |GRAD(Rho)| 0.4314882E-15 GRAD(Rho)x 0.2777098E-15 GRAD(Rho)y -0.2855738E-15 GRAD(Rho)z 0.1658523E-15 Laplacian 0.1068290E+00 (-1/4)Del**2(Rho)) -0.2670726E-01 Diamond 0.1557424E-01 Metallicity 0.1649986E+01 Ellipticity -0.3843569E+01 Gb(Abramov) 0.2514927E-01 Vb(Abramov) -0.2359129E-01 Hb(Abramov) 0.1557986E-02 Ex_ueg -0.6232996E-02 Ec_ueg -0.1232951E-02 Delta_ex -0.6779320E-02 Delta_ec 0.1706512E-02 Delta_et -0.1547839E-01 Pxc 0.5055346E+01 Qxc -0.3972619E+01 3,+1 57 3 +1 -1.268391 2.376789 0.705381 Rho 0.2784414E-01 |GRAD(Rho)| 0.5401306E-15 GRAD(Rho)x 0.3305695E-15 GRAD(Rho)y -0.3774671E-15 GRAD(Rho)z -0.1999588E-15 Laplacian 0.1068290E+00 (-1/4)Del**2(Rho)) -0.2670726E-01 Diamond 0.1557424E-01 Metallicity 0.1649986E+01 Ellipticity -0.3843569E+01 Gb(Abramov) 0.2514927E-01 Vb(Abramov) -0.2359129E-01 Hb(Abramov) 0.1557986E-02 Ex_ueg -0.6232996E-02 Ec_ueg -0.1232951E-02 Delta_ex -0.6779320E-02 Delta_ec 0.1706512E-02 Delta_et -0.1547839E-01 Pxc 0.5055346E+01 Qxc -0.3972619E+01 3,+1 58 3 +1 0.514887 1.492261 0.848658 Rho 0.8157996E-02 |GRAD(Rho)| 0.1318374E-16 GRAD(Rho)x -0.1791329E-17 GRAD(Rho)y -0.1299674E-16 GRAD(Rho)z -0.1298785E-17 Laplacian 0.3262689E-01 (-1/4)Del**2(Rho)) -0.8156723E-02 Diamond 0.8087820E-03 Metallicity 0.6982483E+00 Ellipticity -0.1394558E+01 Gb(Abramov) 0.6387052E-02 Vb(Abramov) -0.4617381E-02 Hb(Abramov) 0.1769671E-02 Ex_ueg -0.1212913E-02 Ec_ueg -0.2852472E-03 Delta_ex -0.1468960E-02 Delta_ec 0.4558385E-03 Delta_et -0.3076282E-02 Pxc 0.4252147E+01 Qxc -0.3222545E+01 3,+1 59 3 +1 0.514887 1.492261 -0.848658 Rho 0.8157996E-02 |GRAD(Rho)| 0.6314506E-17 GRAD(Rho)x 0.2092508E-17 GRAD(Rho)y 0.3864136E-17 GRAD(Rho)z -0.4534627E-17 Laplacian 0.3262689E-01 (-1/4)Del**2(Rho)) -0.8156723E-02 Diamond 0.8087820E-03 Metallicity 0.6982483E+00 Ellipticity -0.1394558E+01 Gb(Abramov) 0.6387052E-02 Vb(Abramov) -0.4617381E-02 Hb(Abramov) 0.1769671E-02 Ex_ueg -0.1212913E-02 Ec_ueg -0.2852472E-03 Delta_ex -0.1468960E-02 Delta_ec 0.4558385E-03 Delta_et -0.3076282E-02 Pxc 0.4252147E+01 Qxc -0.3222545E+01 3,+1 60 3 +1 -1.744728 0.012432 -2.425699 Rho 0.1147874E-01 |GRAD(Rho)| 0.1407755E-13 GRAD(Rho)x -0.5392824E-14 GRAD(Rho)y 0.1256216E-13 GRAD(Rho)z 0.3359643E-14 Laplacian 0.5581240E-01 (-1/4)Del**2(Rho)) -0.1395310E-01 Diamond 0.2130754E-02 Metallicity 0.7211733E+00 Ellipticity -0.1289886E+01 Gb(Abramov) 0.1097917E-01 Vb(Abramov) -0.8005235E-02 Hb(Abramov) 0.2973933E-02 Ex_ueg -0.1912395E-02 Ec_ueg -0.4355597E-03 Delta_ex -0.2719638E-02 Delta_ec 0.7389177E-03 Delta_et -0.5469290E-02 Pxc 0.4390660E+01 Qxc -0.3680569E+01 3,+1 61 3 +3 -2.370658 0.014399 0.000000 Rho 0.5432473E-02 |GRAD(Rho)| 0.6541625E-17 GRAD(Rho)x -0.3571927E-17 GRAD(Rho)y 0.7376843E-18 GRAD(Rho)z 0.5430471E-17 Laplacian 0.2271890E-01 (-1/4)Del**2(Rho)) -0.5679724E-02 Diamond 0.2501911E-03 Metallicity 0.5092001E+00 Ellipticity -0.5999755E+00 Gb(Abramov) 0.4268502E-02 Vb(Abramov) -0.2857280E-02 Hb(Abramov) 0.1411222E-02 Ex_ueg -0.7053129E-03 Ec_ueg -0.1655711E-03 Delta_ex -0.8634713E-03 Delta_ec 0.2075790E-03 Delta_et -0.1358994E-02 Pxc 0.4259879E+01 Qxc -0.4159724E+01 3,+3 62 3 +1 -1.744728 0.012432 2.425699 Rho 0.1147874E-01 |GRAD(Rho)| 0.3536219E-13 GRAD(Rho)x -0.1349700E-13 GRAD(Rho)y 0.3044751E-13 GRAD(Rho)z -0.1188549E-13 Laplacian 0.5581240E-01 (-1/4)Del**2(Rho)) -0.1395310E-01 Diamond 0.2130754E-02 Metallicity 0.7211733E+00 Ellipticity -0.1289886E+01 Gb(Abramov) 0.1097917E-01 Vb(Abramov) -0.8005235E-02 Hb(Abramov) 0.2973933E-02 Ex_ueg -0.1912395E-02 Ec_ueg -0.4355597E-03 Delta_ex -0.2719638E-02 Delta_ec 0.7389177E-03 Delta_et -0.5469290E-02 Pxc 0.4390660E+01 Qxc -0.3680569E+01 3,+1 63 3 +1 -0.580827 -0.847350 1.494189 Rho 0.9754717E-02 |GRAD(Rho)| 0.7038406E-15 GRAD(Rho)x -0.1964275E-15 GRAD(Rho)y -0.2352420E-15 GRAD(Rho)z -0.6336158E-15 Laplacian 0.3978444E-01 (-1/4)Del**2(Rho)) -0.9946111E-02 Diamond 0.1235386E-02 Metallicity 0.7713609E+00 Ellipticity -0.1423361E+01 Gb(Abramov) 0.7909414E-02 Vb(Abramov) -0.5872717E-02 Hb(Abramov) 0.2036697E-02 Ex_ueg -0.1539352E-02 Ec_ueg -0.3569370E-03 Delta_ex -0.1865727E-02 Delta_ec 0.5401503E-03 Delta_et -0.3828249E-02 Pxc 0.4312671E+01 Qxc -0.3454088E+01 3,+1 64 3 +1 -0.580827 -0.847350 -1.494189 Rho 0.9754717E-02 |GRAD(Rho)| 0.6905495E-15 GRAD(Rho)x -0.1862746E-15 GRAD(Rho)y -0.2296845E-15 GRAD(Rho)z 0.6240236E-15 Laplacian 0.3978444E-01 (-1/4)Del**2(Rho)) -0.9946111E-02 Diamond 0.1235386E-02 Metallicity 0.7713609E+00 Ellipticity -0.1423361E+01 Gb(Abramov) 0.7909414E-02 Vb(Abramov) -0.5872717E-02 Hb(Abramov) 0.2036697E-02 Ex_ueg -0.1539352E-02 Ec_ueg -0.3569370E-03 Delta_ex -0.1865727E-02 Delta_ec 0.5401503E-03 Delta_et -0.3828249E-02 Pxc 0.4312671E+01 Qxc -0.3454088E+01 3,+1 65 3 -1 0.011331 2.090143 -2.077219 Rho 0.6315025E-02 |GRAD(Rho)| 0.6227482E-16 GRAD(Rho)x 0.3920700E-16 GRAD(Rho)y -0.4006721E-16 GRAD(Rho)z -0.2712163E-16 Laplacian 0.2558487E-01 (-1/4)Del**2(Rho)) -0.6396218E-02 Diamond 0.9494149E-03 Metallicity 0.5811056E+00 Ellipticity 0.1837621E+01 Gb(Abramov) 0.4883625E-02 Vb(Abramov) -0.3371032E-02 Hb(Abramov) 0.1512593E-02 Ex_ueg -0.8620884E-03 Ec_ueg -0.2039354E-03 Delta_ex -0.1421898E-02 Delta_ec 0.9666400E-03 Delta_et -0.5567099E-02 Pxc 0.4227263E+01 Qxc -0.1470969E+01 3,-1 66 3 +1 -0.525933 0.793912 -1.540625 Rho 0.8923515E-02 |GRAD(Rho)| 0.3501526E-13 GRAD(Rho)x 0.3278283E-13 GRAD(Rho)y -0.1229483E-13 GRAD(Rho)z -0.4376855E-15 Laplacian 0.3543307E-01 (-1/4)Del**2(Rho)) -0.8858268E-02 Diamond 0.9480263E-03 Metallicity 0.7466165E+00 Ellipticity -0.1387991E+01 Gb(Abramov) 0.7007800E-02 Vb(Abramov) -0.5157332E-02 Hb(Abramov) 0.1850468E-02 Ex_ueg -0.1366993E-02 Ec_ueg -0.3194782E-03 Delta_ex -0.1612861E-02 Delta_ec 0.4609491E-03 Delta_et -0.3210820E-02 Pxc 0.4278831E+01 Qxc -0.3499000E+01 3,+1 67 3 +1 -0.525933 0.793912 1.540625 Rho 0.8923515E-02 |GRAD(Rho)| 0.3501841E-13 GRAD(Rho)x 0.3278532E-13 GRAD(Rho)y -0.1229717E-13 GRAD(Rho)z 0.4374868E-15 Laplacian 0.3543307E-01 (-1/4)Del**2(Rho)) -0.8858268E-02 Diamond 0.9480263E-03 Metallicity 0.7466165E+00 Ellipticity -0.1387991E+01 Gb(Abramov) 0.7007800E-02 Vb(Abramov) -0.5157332E-02 Hb(Abramov) 0.1850468E-02 Ex_ueg -0.1366993E-02 Ec_ueg -0.3194782E-03 Delta_ex -0.1612861E-02 Delta_ec 0.4609491E-03 Delta_et -0.3210820E-02 Pxc 0.4278831E+01 Qxc -0.3499000E+01 3,+1 68 3 -1 0.011331 2.090143 2.077219 Rho 0.6315025E-02 |GRAD(Rho)| 0.6378195E-16 GRAD(Rho)x 0.3326535E-16 GRAD(Rho)y -0.4303402E-16 GRAD(Rho)z 0.3331106E-16 Laplacian 0.2558487E-01 (-1/4)Del**2(Rho)) -0.6396218E-02 Diamond 0.9494149E-03 Metallicity 0.5811056E+00 Ellipticity 0.1837621E+01 Gb(Abramov) 0.4883625E-02 Vb(Abramov) -0.3371032E-02 Hb(Abramov) 0.1512593E-02 Ex_ueg -0.8620884E-03 Ec_ueg -0.2039354E-03 Delta_ex -0.1421898E-02 Delta_ec 0.9666400E-03 Delta_et -0.5567099E-02 Pxc 0.4227263E+01 Qxc -0.1470969E+01 3,-1 69 3 +3 -1.139311 0.003140 1.546921 Rho 0.5256214E-02 |GRAD(Rho)| 0.6168076E-16 GRAD(Rho)x -0.5965940E-16 GRAD(Rho)y -0.1565957E-16 GRAD(Rho)z 0.2237426E-18 Laplacian 0.2086110E-01 (-1/4)Del**2(Rho)) -0.5215275E-02 Diamond 0.1523757E-03 Metallicity 0.5248851E+00 Ellipticity -0.2547066E+00 Gb(Abramov) 0.3933087E-02 Vb(Abramov) -0.2650899E-02 Hb(Abramov) 0.1282188E-02 Ex_ueg -0.6749668E-03 Ec_ueg -0.1579553E-03 Delta_ex -0.7276677E-03 Delta_ec 0.8626203E-04 Delta_et -0.7049202E-03 Pxc 0.4273150E+01 Qxc -0.8435550E+01 3,+3 70 3 +3 -1.139311 0.003140 -1.546921 Rho 0.5256214E-02 |GRAD(Rho)| 0.1216536E-16 GRAD(Rho)x -0.1230082E-17 GRAD(Rho)y 0.4850938E-17 GRAD(Rho)z -0.1108834E-16 Laplacian 0.2086110E-01 (-1/4)Del**2(Rho)) -0.5215275E-02 Diamond 0.1523757E-03 Metallicity 0.5248851E+00 Ellipticity -0.2547066E+00 Gb(Abramov) 0.3933087E-02 Vb(Abramov) -0.2650899E-02 Hb(Abramov) 0.1282188E-02 Ex_ueg -0.6749668E-03 Ec_ueg -0.1579553E-03 Delta_ex -0.7276677E-03 Delta_ec 0.8626203E-04 Delta_et -0.7049202E-03 Pxc 0.4273150E+01 Qxc -0.8435550E+01 3,+3 71 3 +1 1.696100 0.727491 0.000000 Rho 0.6980687E-02 |GRAD(Rho)| 0.7559507E-17 GRAD(Rho)x -0.6500734E-18 GRAD(Rho)y -0.3731805E-18 GRAD(Rho)z 0.7522253E-17 Laplacian 0.2714586E-01 (-1/4)Del**2(Rho)) -0.6786464E-02 Diamond 0.5535321E-03 Metallicity 0.6472517E+00 Ellipticity -0.1382286E+01 Gb(Abramov) 0.5256401E-02 Vb(Abramov) -0.3726338E-02 Hb(Abramov) 0.1530063E-02 Ex_ueg -0.9853320E-03 Ec_ueg -0.2331210E-03 Delta_ex -0.1180877E-02 Delta_ec 0.3890241E-03 Delta_et -0.2513147E-02 Pxc 0.4226698E+01 Qxc -0.3035485E+01 3,+1 72 3 +1 0.203249 1.958414 2.214381 Rho 0.6233499E-02 |GRAD(Rho)| 0.4124146E-14 GRAD(Rho)x 0.2868151E-14 GRAD(Rho)y -0.1765338E-14 GRAD(Rho)z 0.2380309E-14 Laplacian 0.2622249E-01 (-1/4)Del**2(Rho)) -0.6555623E-02 Diamond 0.7459751E-03 Metallicity 0.5548289E+00 Ellipticity -0.2317751E+01 Gb(Abramov) 0.4976624E-02 Vb(Abramov) -0.3397624E-02 Hb(Abramov) 0.1579000E-02 Ex_ueg -0.8472813E-03 Ec_ueg -0.2003755E-03 Delta_ex -0.1308300E-02 Delta_ec 0.7309543E-03 Delta_et -0.4277960E-02 Pxc 0.4228467E+01 Qxc -0.1789852E+01 3,+1 73 3 +1 0.203249 1.958414 -2.214381 Rho 0.6233499E-02 |GRAD(Rho)| 0.1475512E-15 GRAD(Rho)x 0.1452182E-15 GRAD(Rho)y -0.2303151E-16 GRAD(Rho)z -0.1235282E-16 Laplacian 0.2622249E-01 (-1/4)Del**2(Rho)) -0.6555623E-02 Diamond 0.7459751E-03 Metallicity 0.5548289E+00 Ellipticity -0.2317751E+01 Gb(Abramov) 0.4976624E-02 Vb(Abramov) -0.3397624E-02 Hb(Abramov) 0.1579000E-02 Ex_ueg -0.8472813E-03 Ec_ueg -0.2003755E-03 Delta_ex -0.1308300E-02 Delta_ec 0.7309543E-03 Delta_et -0.4277960E-02 Pxc 0.4228467E+01 Qxc -0.1789852E+01 3,+1 74 3 +1 -0.208262 2.241572 -1.921514 Rho 0.6200188E-02 |GRAD(Rho)| 0.1853489E-15 GRAD(Rho)x -0.1311091E-15 GRAD(Rho)y 0.1049040E-15 GRAD(Rho)z 0.7848416E-16 Laplacian 0.2617292E-01 (-1/4)Del**2(Rho)) -0.6543231E-02 Diamond 0.7161984E-03 Metallicity 0.5509375E+00 Ellipticity -0.2100326E+01 Gb(Abramov) 0.4962973E-02 Vb(Abramov) -0.3382714E-02 Hb(Abramov) 0.1580258E-02 Ex_ueg -0.8412496E-03 Ec_ueg -0.1989219E-03 Delta_ex -0.1288339E-02 Delta_ec 0.7009388E-03 Delta_et -0.4108504E-02 Pxc 0.4229045E+01 Qxc -0.1838020E+01 3,+1 75 3 +3 0.031897 1.573344 -1.599181 Rho 0.4939848E-02 |GRAD(Rho)| 0.1806243E-16 GRAD(Rho)x 0.4508629E-18 GRAD(Rho)y 0.7847553E-17 GRAD(Rho)z 0.1626235E-16 Laplacian 0.2054955E-01 (-1/4)Del**2(Rho)) -0.5137388E-02 Diamond 0.1770859E-03 Metallicity 0.4804705E+00 Ellipticity -0.2788056E+00 Gb(Abramov) 0.3836320E-02 Vb(Abramov) -0.2535251E-02 Hb(Abramov) 0.1301069E-02 Ex_ueg -0.6213503E-03 Ec_ueg -0.1443251E-03 Delta_ex -0.7415085E-03 Delta_ec 0.1510773E-03 Delta_et -0.1018302E-02 Pxc 0.4305212E+01 Qxc -0.4908138E+01 3,+3 76 3 +3 0.031897 1.573344 1.599181 Rho 0.4939848E-02 |GRAD(Rho)| 0.9560220E-17 GRAD(Rho)x 0.8102213E-17 GRAD(Rho)y -0.3878859E-18 GRAD(Rho)z -0.5059792E-17 Laplacian 0.2054955E-01 (-1/4)Del**2(Rho)) -0.5137388E-02 Diamond 0.1770859E-03 Metallicity 0.4804705E+00 Ellipticity -0.2788056E+00 Gb(Abramov) 0.3836320E-02 Vb(Abramov) -0.2535251E-02 Hb(Abramov) 0.1301069E-02 Ex_ueg -0.6213503E-03 Ec_ueg -0.1443251E-03 Delta_ex -0.7415085E-03 Delta_ec 0.1510773E-03 Delta_et -0.1018302E-02 Pxc 0.4305212E+01 Qxc -0.4908138E+01 3,+3 77 3 +1 -0.208262 2.241572 1.921514 Rho 0.6200188E-02 |GRAD(Rho)| 0.1872497E-15 GRAD(Rho)x -0.1255132E-15 GRAD(Rho)y 0.1115170E-15 GRAD(Rho)z -0.8290260E-16 Laplacian 0.2617292E-01 (-1/4)Del**2(Rho)) -0.6543231E-02 Diamond 0.7161984E-03 Metallicity 0.5509375E+00 Ellipticity -0.2100326E+01 Gb(Abramov) 0.4962973E-02 Vb(Abramov) -0.3382714E-02 Hb(Abramov) 0.1580258E-02 Ex_ueg -0.8412496E-03 Ec_ueg -0.1989219E-03 Delta_ex -0.1288339E-02 Delta_ec 0.7009388E-03 Delta_et -0.4108504E-02 Pxc 0.4229045E+01 Qxc -0.1838020E+01 3,+1 78 3 -1 0.077313 4.498104 -0.000000 Rho 0.2309471E+00 |GRAD(Rho)| 0.7386367E-15 GRAD(Rho)x -0.7963465E-16 GRAD(Rho)y 0.7343301E-15 GRAD(Rho)z 0.1307176E-17 Laplacian 0.8618741E+00 (-1/4)Del**2(Rho)) -0.2154685E+00 Diamond 0.2900598E+01 Metallicity 0.6950621E+01 Ellipticity 0.9864481E-03 Gb(Abramov) 0.3932523E+00 Vb(Abramov) -0.5710362E+00 Hb(Abramov) -0.1777838E+00 Ex_ueg -0.1046490E+00 Ec_ueg -0.1381556E-01 Delta_ex -0.1030389E+00 Delta_ec 0.1915810E-01 Delta_et -0.2645630E+00 Pxc 0.7574722E+01 Qxc -0.5378348E+01 3,-1 79 3 +1 -0.240670 -2.592085 -1.898832 Rho 0.3411736E-02 |GRAD(Rho)| 0.1131229E-17 GRAD(Rho)x 0.2245405E-18 GRAD(Rho)y 0.9121320E-18 GRAD(Rho)z 0.6302983E-18 Laplacian 0.1348145E-01 (-1/4)Del**2(Rho)) -0.3370364E-02 Diamond 0.1569560E-03 Metallicity 0.3952168E+00 Ellipticity -0.1523510E+01 Gb(Abramov) 0.2468913E-02 Vb(Abramov) -0.1567463E-02 Hb(Abramov) 0.9014505E-03 Ex_ueg -0.3793315E-03 Ec_ueg -0.7921698E-04 Delta_ex -0.5757086E-03 Delta_ec 0.3383408E-03 Delta_et -0.1673184E-02 Pxc 0.4788513E+01 Qxc -0.1701564E+01 3,+1 80 3 +1 -0.240670 -2.592085 1.898832 Rho 0.3411736E-02 |GRAD(Rho)| 0.7181277E-17 GRAD(Rho)x 0.7146981E-17 GRAD(Rho)y 0.4810801E-18 GRAD(Rho)z -0.5098552E-18 Laplacian 0.1348145E-01 (-1/4)Del**2(Rho)) -0.3370364E-02 Diamond 0.1569560E-03 Metallicity 0.3952168E+00 Ellipticity -0.1523510E+01 Gb(Abramov) 0.2468913E-02 Vb(Abramov) -0.1567463E-02 Hb(Abramov) 0.9014505E-03 Ex_ueg -0.3793315E-03 Ec_ueg -0.7921698E-04 Delta_ex -0.5757086E-03 Delta_ec 0.3383408E-03 Delta_et -0.1673184E-02 Pxc 0.4788513E+01 Qxc -0.1701564E+01 3,+1 81 3 +1 1.340189 0.737094 2.276007 Rho 0.2568956E-01 |GRAD(Rho)| 0.3140265E-12 GRAD(Rho)x -0.2762078E-13 GRAD(Rho)y -0.2493552E-12 GRAD(Rho)z -0.1888695E-12 Laplacian 0.9396849E-01 (-1/4)Del**2(Rho)) -0.2349212E-01 Diamond 0.1134315E-01 Metallicity 0.1640181E+01 Ellipticity -0.2891163E+01 Gb(Abramov) 0.2208331E-01 Vb(Abramov) -0.2067449E-01 Hb(Abramov) 0.1408817E-02 Ex_ueg -0.5598356E-02 Ec_ueg -0.1123495E-02 Delta_ex -0.5738689E-02 Delta_ec 0.1329785E-02 Delta_et -0.1187272E-01 Pxc 0.4982985E+01 Qxc -0.4315502E+01 3,+1 82 3 -1 0.856142 0.739398 3.477343 Rho 0.1382518E+00 |GRAD(Rho)| 0.6254231E-14 GRAD(Rho)x -0.4622997E-14 GRAD(Rho)y -0.4163540E-14 GRAD(Rho)z 0.6389322E-15 Laplacian 0.5451826E+00 (-1/4)Del**2(Rho)) -0.1362956E+00 Diamond 0.1004332E+01 Metallicity 0.4672214E+01 Ellipticity 0.4382648E-01 Gb(Abramov) 0.1969975E+00 Vb(Abramov) -0.2576994E+00 Hb(Abramov) -0.6070185E-01 Ex_ueg -0.5279745E-01 Ec_ueg -0.7695758E-02 Delta_ex -0.5742076E-01 Delta_ec 0.1416433E-01 Delta_et -0.1864301E+00 Pxc 0.6860591E+01 Qxc -0.4053898E+01 3,-1 83 3 +3 1.116431 1.467623 -0.000000 Rho 0.4427658E-02 |GRAD(Rho)| 0.7129177E-17 GRAD(Rho)x 0.1420589E-17 GRAD(Rho)y -0.6905217E-17 GRAD(Rho)z 0.1060695E-17 Laplacian 0.1747840E-01 (-1/4)Del**2(Rho)) -0.4369599E-02 Diamond 0.1089558E-03 Metallicity 0.4706900E+00 Ellipticity -0.1059338E+00 Gb(Abramov) 0.3255854E-02 Vb(Abramov) -0.2142109E-02 Hb(Abramov) 0.1113745E-02 Ex_ueg -0.5369705E-03 Ec_ueg -0.1223663E-03 Delta_ex -0.5900236E-03 Delta_ec 0.8791443E-04 Delta_et -0.6494526E-03 Pxc 0.4388221E+01 Qxc -0.6711340E+01 3,+3 84 3 +1 1.761480 2.483619 -0.000000 Rho 0.1242289E-01 |GRAD(Rho)| 0.2202024E-14 GRAD(Rho)x -0.3528129E-15 GRAD(Rho)y 0.2173569E-14 GRAD(Rho)z -0.5256243E-17 Laplacian 0.6227553E-01 (-1/4)Del**2(Rho)) -0.1556888E-01 Diamond 0.2577062E-02 Metallicity 0.7373384E+00 Ellipticity -0.1242667E+01 Gb(Abramov) 0.1229251E-01 Vb(Abramov) -0.9016140E-02 Hb(Abramov) 0.3276372E-02 Ex_ueg -0.2124950E-02 Ec_ueg -0.4791262E-03 Delta_ex -0.3078281E-02 Delta_ec 0.7887542E-03 Delta_et -0.5979335E-02 Pxc 0.4435052E+01 Qxc -0.3902713E+01 3,+1 85 3 +1 1.665254 -2.809351 -0.000000 Rho 0.7172026E-02 |GRAD(Rho)| 0.2819731E-11 GRAD(Rho)x 0.2084451E-11 GRAD(Rho)y 0.1898933E-11 GRAD(Rho)z -0.2501360E-16 Laplacian 0.3193374E-01 (-1/4)Del**2(Rho)) -0.7983434E-02 Diamond 0.1064314E-02 Metallicity 0.5755723E+00 Ellipticity -0.2005653E+01 Gb(Abramov) 0.6088130E-02 Vb(Abramov) -0.4192826E-02 Hb(Abramov) 0.1895304E-02 Ex_ueg -0.1021506E-02 Ec_ueg -0.2415490E-03 Delta_ex -0.1621654E-02 Delta_ec 0.8560742E-03 Delta_et -0.5236044E-02 Pxc 0.4228980E+01 Qxc -0.1894292E+01 3,+1 86 3 +1 2.175319 -0.158983 -1.728203 Rho 0.2442856E-01 |GRAD(Rho)| 0.1567438E-13 GRAD(Rho)x 0.1549877E-13 GRAD(Rho)y -0.1413345E-14 GRAD(Rho)z -0.1864532E-14 Laplacian 0.9210861E-01 (-1/4)Del**2(Rho)) -0.2302715E-01 Diamond 0.1119827E-01 Metallicity 0.1538660E+01 Ellipticity -0.3304873E+01 Gb(Abramov) 0.2125659E-01 Vb(Abramov) -0.1948604E-01 Hb(Abramov) 0.1770559E-02 Ex_ueg -0.5234985E-02 Ec_ueg -0.1059986E-02 Delta_ex -0.5640644E-02 Delta_ec 0.1468802E-02 Delta_et -0.1291550E-01 Pxc 0.4938730E+01 Qxc -0.3840304E+01 3,+1 87 3 +1 2.175319 -0.158983 1.728203 Rho 0.2442856E-01 |GRAD(Rho)| 0.1568773E-13 GRAD(Rho)x 0.1551278E-13 GRAD(Rho)y -0.1401271E-14 GRAD(Rho)z 0.1869508E-14 Laplacian 0.9210861E-01 (-1/4)Del**2(Rho)) -0.2302715E-01 Diamond 0.1119827E-01 Metallicity 0.1538660E+01 Ellipticity -0.3304873E+01 Gb(Abramov) 0.2125659E-01 Vb(Abramov) -0.1948604E-01 Hb(Abramov) 0.1770559E-02 Ex_ueg -0.5234985E-02 Ec_ueg -0.1059986E-02 Delta_ex -0.5640644E-02 Delta_ec 0.1468802E-02 Delta_et -0.1291550E-01 Pxc 0.4938730E+01 Qxc -0.3840304E+01 3,+1 88 3 +1 -2.263577 -1.799119 0.000000 Rho 0.3356491E-01 |GRAD(Rho)| 0.4088646E-14 GRAD(Rho)x -0.3084852E-14 GRAD(Rho)y -0.2487954E-14 GRAD(Rho)z 0.1005384E-14 Laplacian 0.1369321E+00 (-1/4)Del**2(Rho)) -0.3423303E-01 Diamond 0.2596507E-01 Metallicity 0.1757587E+01 Ellipticity -0.4484560E+01 Gb(Abramov) 0.3284995E-01 Vb(Abramov) -0.3146686E-01 Hb(Abramov) 0.1383089E-02 Ex_ueg -0.7996482E-02 Ec_ueg -0.1528913E-02 Delta_ex -0.9153385E-02 Delta_ec 0.2204121E-02 Delta_et -0.2086849E-01 Pxc 0.5230175E+01 Qxc -0.4152850E+01 3,+1 89 3 +1 2.984137 0.064836 -0.224159 Rho 0.5390819E-02 |GRAD(Rho)| 0.1537889E-16 GRAD(Rho)x 0.5187336E-18 GRAD(Rho)y -0.2754277E-17 GRAD(Rho)z -0.1512134E-16 Laplacian 0.2212153E-01 (-1/4)Del**2(Rho)) -0.5530381E-02 Diamond 0.5643377E-03 Metallicity 0.5162849E+00 Ellipticity -0.3064265E+01 Gb(Abramov) 0.4162796E-02 Vb(Abramov) -0.2795211E-02 Hb(Abramov) 0.1367585E-02 Ex_ueg -0.6981115E-03 Ec_ueg -0.1637699E-03 Delta_ex -0.1110600E-02 Delta_ec 0.6868810E-03 Delta_et -0.3819434E-02 Pxc 0.4262757E+01 Qxc -0.1616875E+01 3,+1 90 3 +1 2.984137 0.064836 0.224159 Rho 0.5390819E-02 |GRAD(Rho)| 0.1729240E-16 GRAD(Rho)x 0.1343235E-17 GRAD(Rho)y -0.7670985E-17 GRAD(Rho)z 0.1543952E-16 Laplacian 0.2212153E-01 (-1/4)Del**2(Rho)) -0.5530381E-02 Diamond 0.5643377E-03 Metallicity 0.5162849E+00 Ellipticity -0.3064265E+01 Gb(Abramov) 0.4162796E-02 Vb(Abramov) -0.2795211E-02 Hb(Abramov) 0.1367585E-02 Ex_ueg -0.6981115E-03 Ec_ueg -0.1637699E-03 Delta_ex -0.1110600E-02 Delta_ec 0.6868810E-03 Delta_et -0.3819434E-02 Pxc 0.4262757E+01 Qxc -0.1616875E+01 3,+1 91 3 -1 3.026779 0.846088 -2.016520 Rho 0.1826832E+00 |GRAD(Rho)| 0.1352254E-15 GRAD(Rho)x -0.1345495E-15 GRAD(Rho)y -0.1181780E-16 GRAD(Rho)z -0.6532318E-17 Laplacian 0.7128028E+00 (-1/4)Del**2(Rho)) -0.1782007E+00 Diamond 0.1822463E+01 Metallicity 0.5686019E+01 Ellipticity 0.5038823E-01 Gb(Abramov) 0.2876759E+00 Vb(Abramov) -0.3971511E+00 Hb(Abramov) -0.1094752E+00 Ex_ueg -0.7655672E-01 Ec_ueg -0.1056761E-01 Delta_ex -0.8033893E-01 Delta_ec 0.1708724E-01 Delta_et -0.2326348E+00 Pxc 0.7244471E+01 Qxc -0.4701690E+01 3,-1 92 3 +3 2.298287 0.070005 -0.000000 Rho 0.4340726E-02 |GRAD(Rho)| 0.7201429E-17 GRAD(Rho)x 0.4187700E-17 GRAD(Rho)y 0.5601770E-17 GRAD(Rho)z -0.1715783E-17 Laplacian 0.1806594E-01 (-1/4)Del**2(Rho)) -0.4516485E-02 Diamond 0.1409021E-03 Metallicity 0.4405784E+00 Ellipticity -0.2605549E+00 Gb(Abramov) 0.3342635E-02 Vb(Abramov) -0.2168784E-02 Hb(Abramov) 0.1173851E-02 Ex_ueg -0.5229597E-03 Ec_ueg -0.1186528E-03 Delta_ex -0.6416567E-03 Delta_ec 0.1535072E-03 Delta_et -0.9691066E-03 Pxc 0.4407478E+01 Qxc -0.4179977E+01 3,+3 93 3 -1 3.026779 0.846088 2.016520 Rho 0.1826832E+00 |GRAD(Rho)| 0.5238819E-15 GRAD(Rho)x 0.2176807E-15 GRAD(Rho)y -0.4570996E-15 GRAD(Rho)z 0.1346376E-15 Laplacian 0.7128028E+00 (-1/4)Del**2(Rho)) -0.1782007E+00 Diamond 0.1822463E+01 Metallicity 0.5686019E+01 Ellipticity 0.5038823E-01 Gb(Abramov) 0.2876759E+00 Vb(Abramov) -0.3971511E+00 Hb(Abramov) -0.1094752E+00 Ex_ueg -0.7655672E-01 Ec_ueg -0.1056761E-01 Delta_ex -0.8033893E-01 Delta_ec 0.1708724E-01 Delta_et -0.2326348E+00 Pxc 0.7244471E+01 Qxc -0.4701690E+01 3,-1 94 3 -1 2.969661 -0.800304 -1.994603 Rho 0.7996652E-01 |GRAD(Rho)| 0.9073259E-14 GRAD(Rho)x -0.3380368E-14 GRAD(Rho)y -0.8215769E-14 GRAD(Rho)z 0.1843443E-14 Laplacian 0.3216374E+00 (-1/4)Del**2(Rho)) -0.8040934E-01 Diamond 0.3022467E+00 Metallicity 0.3179999E+01 Ellipticity 0.4827072E-02 Gb(Abramov) 0.9622317E-01 Vb(Abramov) -0.1120370E+00 Hb(Abramov) -0.1581383E-01 Ex_ueg -0.2544462E-01 Ec_ueg -0.4128437E-02 Delta_ex -0.2970770E-01 Delta_ec 0.9281779E-02 Delta_et -0.1098717E+00 Pxc 0.6163258E+01 Qxc -0.3200648E+01 3,-1 95 3 -1 2.969661 -0.800304 1.994603 Rho 0.7996652E-01 |GRAD(Rho)| 0.9030723E-14 GRAD(Rho)x -0.3341257E-14 GRAD(Rho)y -0.8196978E-14 GRAD(Rho)z -0.1788718E-14 Laplacian 0.3216374E+00 (-1/4)Del**2(Rho)) -0.8040934E-01 Diamond 0.3022467E+00 Metallicity 0.3179999E+01 Ellipticity 0.4827072E-02 Gb(Abramov) 0.9622317E-01 Vb(Abramov) -0.1120370E+00 Hb(Abramov) -0.1581383E-01 Ex_ueg -0.2544462E-01 Ec_ueg -0.4128437E-02 Delta_ex -0.2970770E-01 Delta_ec 0.9281779E-02 Delta_et -0.1098717E+00 Pxc 0.6163258E+01 Qxc -0.3200648E+01 3,-1 96 3 -1 -2.742053 -0.933160 1.618664 Rho 0.7002339E-01 |GRAD(Rho)| 0.1058599E-14 GRAD(Rho)x 0.6657289E-15 GRAD(Rho)y 0.2016989E-15 GRAD(Rho)z -0.7979695E-15 Laplacian 0.2908325E+00 (-1/4)Del**2(Rho)) -0.7270813E-01 Diamond 0.2344925E+00 Metallicity 0.2818656E+01 Ellipticity 0.5652095E-02 Gb(Abramov) 0.8262862E-01 Vb(Abramov) -0.9254911E-01 Hb(Abramov) -0.9920490E-02 Ex_ueg -0.2131617E-01 Ec_ueg -0.3548434E-02 Delta_ex -0.2612442E-01 Delta_ec 0.8713992E-02 Delta_et -0.1001255E+00 Pxc 0.6007206E+01 Qxc -0.2997985E+01 3,-1 97 3 -1 -2.742053 -0.933160 -1.618664 Rho 0.7002339E-01 |GRAD(Rho)| 0.2162306E-15 GRAD(Rho)x 0.1858810E-15 GRAD(Rho)y -0.1102752E-15 GRAD(Rho)z 0.6580175E-17 Laplacian 0.2908325E+00 (-1/4)Del**2(Rho)) -0.7270813E-01 Diamond 0.2344925E+00 Metallicity 0.2818656E+01 Ellipticity 0.5652095E-02 Gb(Abramov) 0.8262862E-01 Vb(Abramov) -0.9254911E-01 Hb(Abramov) -0.9920490E-02 Ex_ueg -0.2131617E-01 Ec_ueg -0.3548434E-02 Delta_ex -0.2612442E-01 Delta_ec 0.8713992E-02 Delta_et -0.1001255E+00 Pxc 0.6007206E+01 Qxc -0.2997985E+01 3,-1 98 3 -1 -1.753696 -1.668309 0.811448 Rho 0.6665386E-01 |GRAD(Rho)| 0.4212316E-16 GRAD(Rho)x 0.3130041E-16 GRAD(Rho)y -0.2694581E-16 GRAD(Rho)z 0.8280594E-17 Laplacian 0.2590320E+00 (-1/4)Del**2(Rho)) -0.6475800E-01 Diamond 0.1913868E+00 Metallicity 0.2914978E+01 Ellipticity 0.2590596E-01 Gb(Abramov) 0.7463336E-01 Vb(Abramov) -0.8450872E-01 Hb(Abramov) -0.9875356E-02 Ex_ueg -0.1995961E-01 Ec_ueg -0.3354256E-02 Delta_ex -0.2285957E-01 Delta_ec 0.7558419E-02 Delta_et -0.8567697E-01 Pxc 0.5950535E+01 Qxc -0.3024385E+01 3,-1 99 3 -1 -1.750097 -1.644386 2.302389 Rho 0.1292235E+00 |GRAD(Rho)| 0.4498588E-13 GRAD(Rho)x -0.2753575E-14 GRAD(Rho)y -0.4260823E-13 GRAD(Rho)z -0.1416636E-13 Laplacian 0.5423449E+00 (-1/4)Del**2(Rho)) -0.1355862E+00 Diamond 0.9324320E+00 Metallicity 0.4196691E+01 Ellipticity 0.1052805E-01 Gb(Abramov) 0.1852264E+00 Vb(Abramov) -0.2348666E+00 Hb(Abramov) -0.4964017E-01 Ex_ueg -0.4825110E-01 Ec_ueg -0.7127105E-02 Delta_ex -0.5633263E-01 Delta_ec 0.1456388E-01 Delta_et -0.1900909E+00 Pxc 0.6770084E+01 Qxc -0.3867968E+01 3,-1 100 3 -1 -1.750097 -1.644386 -2.302389 Rho 0.1292235E+00 |GRAD(Rho)| 0.5224097E-12 GRAD(Rho)x -0.3534360E-12 GRAD(Rho)y -0.2402756E-12 GRAD(Rho)z 0.3004373E-12 Laplacian 0.5423449E+00 (-1/4)Del**2(Rho)) -0.1355862E+00 Diamond 0.9324320E+00 Metallicity 0.4196691E+01 Ellipticity 0.1052805E-01 Gb(Abramov) 0.1852264E+00 Vb(Abramov) -0.2348666E+00 Hb(Abramov) -0.4964017E-01 Ex_ueg -0.4825110E-01 Ec_ueg -0.7127105E-02 Delta_ex -0.5633263E-01 Delta_ec 0.1456388E-01 Delta_et -0.1900909E+00 Pxc 0.6770084E+01 Qxc -0.3867968E+01 3,-1 101 3 -1 -1.753696 -1.668309 -0.811448 Rho 0.6665386E-01 |GRAD(Rho)| 0.1247784E-13 GRAD(Rho)x 0.1182149E-14 GRAD(Rho)y 0.1107896E-13 GRAD(Rho)z 0.5617439E-14 Laplacian 0.2590320E+00 (-1/4)Del**2(Rho)) -0.6475800E-01 Diamond 0.1913868E+00 Metallicity 0.2914978E+01 Ellipticity 0.2590596E-01 Gb(Abramov) 0.7463336E-01 Vb(Abramov) -0.8450872E-01 Hb(Abramov) -0.9875356E-02 Ex_ueg -0.1995961E-01 Ec_ueg -0.3354256E-02 Delta_ex -0.2285957E-01 Delta_ec 0.7558419E-02 Delta_et -0.8567697E-01 Pxc 0.5950535E+01 Qxc -0.3024385E+01 3,-1 102 3 +1 -0.266322 -2.525272 -1.212811 Rho 0.3102373E-02 |GRAD(Rho)| 0.3437047E-17 GRAD(Rho)x -0.2243610E-17 GRAD(Rho)y -0.1547949E-17 GRAD(Rho)z -0.2093648E-17 Laplacian 0.1227737E-01 (-1/4)Del**2(Rho)) -0.3069342E-02 Diamond 0.1123814E-03 Metallicity 0.3703946E+00 Ellipticity -0.1263023E+01 Gb(Abramov) 0.2235706E-02 Vb(Abramov) -0.1402070E-02 Hb(Abramov) 0.8336360E-03 Ex_ueg -0.3341774E-03 Ec_ueg -0.6618711E-04 Delta_ex -0.4910690E-03 Delta_ec 0.2660450E-03 Delta_et -0.1301058E-02 Pxc 0.5048980E+01 Qxc -0.1845812E+01 3,+1 103 3 +1 -0.266322 -2.525272 1.212811 Rho 0.3102373E-02 |GRAD(Rho)| 0.7069442E-17 GRAD(Rho)x 0.6941952E-17 GRAD(Rho)y -0.1314716E-17 GRAD(Rho)z -0.2404872E-18 Laplacian 0.1227737E-01 (-1/4)Del**2(Rho)) -0.3069342E-02 Diamond 0.1123814E-03 Metallicity 0.3703946E+00 Ellipticity -0.1263023E+01 Gb(Abramov) 0.2235706E-02 Vb(Abramov) -0.1402070E-02 Hb(Abramov) 0.8336360E-03 Ex_ueg -0.3341774E-03 Ec_ueg -0.6618711E-04 Delta_ex -0.4910690E-03 Delta_ec 0.2660450E-03 Delta_et -0.1301058E-02 Pxc 0.5048980E+01 Qxc -0.1845812E+01 3,+1 104 3 -1 1.716513 0.799416 -1.585117 Rho 0.3793319E-01 |GRAD(Rho)| 0.1763868E-16 GRAD(Rho)x -0.1143812E-16 GRAD(Rho)y -0.6726289E-17 GRAD(Rho)z -0.1162108E-16 Laplacian 0.1391152E+00 (-1/4)Del**2(Rho)) -0.3477879E-01 Diamond 0.4603262E-01 Metallicity 0.2121311E+01 Ellipticity 0.3407050E-01 Gb(Abramov) 0.3548197E-01 Vb(Abramov) -0.3618514E-01 Hb(Abramov) -0.7031724E-03 Ex_ueg -0.9413350E-02 Ec_ueg -0.1759619E-02 Delta_ex -0.1053895E-01 Delta_ec 0.3884843E-02 Delta_et -0.3803704E-01 Pxc 0.5349653E+01 Qxc -0.2712837E+01 3,-1 105 3 +1 -2.647303 -0.301883 0.000000 Rho 0.5581987E-02 |GRAD(Rho)| 0.1011316E-13 GRAD(Rho)x 0.2879379E-14 GRAD(Rho)y -0.5711515E-14 GRAD(Rho)z -0.7833504E-14 Laplacian 0.2308337E-01 (-1/4)Del**2(Rho)) -0.5770842E-02 Diamond 0.3581562E-03 Metallicity 0.5243590E+00 Ellipticity -0.1099446E+01 Gb(Abramov) 0.4351560E-02 Vb(Abramov) -0.2932278E-02 Hb(Abramov) 0.1419282E-02 Ex_ueg -0.7313133E-03 Ec_ueg -0.1720434E-03 Delta_ex -0.9592106E-03 Delta_ec 0.3460146E-03 Delta_et -0.2094124E-02 Pxc 0.4250749E+01 Qxc -0.2772168E+01 3,+1 106 3 -1 -0.540232 0.715218 3.185466 Rho 0.1425730E+00 |GRAD(Rho)| 0.1502808E-12 GRAD(Rho)x -0.2893700E-13 GRAD(Rho)y -0.1446020E-12 GRAD(Rho)z -0.2893522E-13 Laplacian 0.5978896E+00 (-1/4)Del**2(Rho)) -0.1494724E+00 Diamond 0.1139899E+01 Metallicity 0.4484570E+01 Ellipticity 0.1234801E-01 Gb(Abramov) 0.2113682E+00 Vb(Abramov) -0.2732640E+00 Hb(Abramov) -0.6189578E-01 Ex_ueg -0.5500912E-01 Ec_ueg -0.7969785E-02 Delta_ex -0.6341356E-01 Delta_ec 0.1536044E-01 Delta_et -0.2029928E+00 Pxc 0.6902208E+01 Qxc -0.4128368E+01 3,-1 107 3 -1 -0.540232 0.715218 -3.185466 Rho 0.1425730E+00 |GRAD(Rho)| 0.1544874E-12 GRAD(Rho)x 0.2900302E-13 GRAD(Rho)y 0.1517100E-12 GRAD(Rho)z 0.3046561E-14 Laplacian 0.5978896E+00 (-1/4)Del**2(Rho)) -0.1494724E+00 Diamond 0.1139899E+01 Metallicity 0.4484570E+01 Ellipticity 0.1234801E-01 Gb(Abramov) 0.2113682E+00 Vb(Abramov) -0.2732640E+00 Hb(Abramov) -0.6189578E-01 Ex_ueg -0.5500912E-01 Ec_ueg -0.7969785E-02 Delta_ex -0.6341356E-01 Delta_ec 0.1536044E-01 Delta_et -0.2029928E+00 Pxc 0.6902208E+01 Qxc -0.4128368E+01 3,-1 108 3 -1 -0.438985 0.511640 -0.000000 Rho 0.1340017E+00 |GRAD(Rho)| 0.3546562E-15 GRAD(Rho)x -0.1574339E-15 GRAD(Rho)y 0.3177961E-15 GRAD(Rho)z 0.1102931E-17 Laplacian 0.6854384E+00 (-1/4)Del**2(Rho)) -0.1713596E+00 Diamond 0.1455263E+01 Metallicity 0.3527730E+01 Ellipticity 0.5322113E-02 Gb(Abramov) 0.2149915E+00 Vb(Abramov) -0.2586233E+00 Hb(Abramov) -0.4363186E-01 Ex_ueg -0.5064449E-01 Ec_ueg -0.7427399E-02 Delta_ex -0.7441624E-01 Delta_ec 0.2288430E-01 Delta_et -0.3093460E+00 Pxc 0.6818603E+01 Qxc -0.3251847E+01 3,-1 109 3 +1 1.316063 -0.776561 -2.329994 Rho 0.2934809E-01 |GRAD(Rho)| 0.1232531E-16 GRAD(Rho)x 0.1109148E-16 GRAD(Rho)y -0.3018334E-17 GRAD(Rho)z -0.4447689E-17 Laplacian 0.1133249E+00 (-1/4)Del**2(Rho)) -0.2833122E-01 Diamond 0.1748788E-01 Metallicity 0.1697934E+01 Ellipticity -0.3726490E+01 Gb(Abramov) 0.2690491E-01 Vb(Abramov) -0.2547859E-01 Hb(Abramov) 0.1426314E-02 Ex_ueg -0.6685873E-02 Ec_ueg -0.1310030E-02 Delta_ex -0.7270765E-02 Delta_ec 0.1766878E-02 Delta_et -0.1622865E-01 Pxc 0.5103603E+01 Qxc -0.4115035E+01 3,+1 110 3 +1 1.316063 -0.776561 2.329994 Rho 0.2934809E-01 |GRAD(Rho)| 0.7836652E-16 GRAD(Rho)x 0.3993625E-16 GRAD(Rho)y -0.5176318E-16 GRAD(Rho)z 0.4320857E-16 Laplacian 0.1133249E+00 (-1/4)Del**2(Rho)) -0.2833122E-01 Diamond 0.1748788E-01 Metallicity 0.1697934E+01 Ellipticity -0.3726490E+01 Gb(Abramov) 0.2690491E-01 Vb(Abramov) -0.2547859E-01 Hb(Abramov) 0.1426314E-02 Ex_ueg -0.6685873E-02 Ec_ueg -0.1310030E-02 Delta_ex -0.7270765E-02 Delta_ec 0.1766878E-02 Delta_et -0.1622865E-01 Pxc 0.5103603E+01 Qxc -0.4115035E+01 3,+1 111 3 -1 0.545395 3.208044 -0.687362 Rho 0.1436491E+00 |GRAD(Rho)| 0.4593056E-13 GRAD(Rho)x 0.3317564E-14 GRAD(Rho)y -0.4422453E-13 GRAD(Rho)z -0.1194994E-13 Laplacian 0.6011123E+00 (-1/4)Del**2(Rho)) -0.1502781E+00 Diamond 0.1161267E+01 Metallicity 0.4516782E+01 Ellipticity 0.1345823E-01 Gb(Abramov) 0.2133143E+00 Vb(Abramov) -0.2763505E+00 Hb(Abramov) -0.6303619E-01 Ex_ueg -0.5556342E-01 Ec_ueg -0.8038213E-02 Delta_ex -0.6392351E-01 Delta_ec 0.1550572E-01 Delta_et -0.2053363E+00 Pxc 0.6912410E+01 Qxc -0.4122575E+01 3,-1 112 3 +3 1.964055 0.013059 2.722795 Rho 0.1224249E-01 |GRAD(Rho)| 0.4850830E-17 GRAD(Rho)x 0.1641818E-17 GRAD(Rho)y -0.3032624E-17 GRAD(Rho)z -0.3411477E-17 Laplacian 0.5537851E-01 (-1/4)Del**2(Rho)) -0.1384463E-01 Diamond 0.1465480E-02 Metallicity 0.8091981E+00 Ellipticity -0.9038856E+00 Gb(Abramov) 0.1109693E-01 Vb(Abramov) -0.8349224E-02 Hb(Abramov) 0.2747701E-02 Ex_ueg -0.2083906E-02 Ec_ueg -0.4707747E-03 Delta_ex -0.2507116E-02 Delta_ec 0.3092464E-03 Delta_et -0.2641543E-02 Pxc 0.4426545E+01 Qxc -0.8107179E+01 3,+3 113 3 +3 1.964055 0.013059 -2.722795 Rho 0.1224249E-01 |GRAD(Rho)| 0.4000624E-13 GRAD(Rho)x 0.9873191E-14 GRAD(Rho)y -0.3527307E-13 GRAD(Rho)z 0.1608818E-13 Laplacian 0.5537851E-01 (-1/4)Del**2(Rho)) -0.1384463E-01 Diamond 0.1465480E-02 Metallicity 0.8091981E+00 Ellipticity -0.9038856E+00 Gb(Abramov) 0.1109693E-01 Vb(Abramov) -0.8349224E-02 Hb(Abramov) 0.2747701E-02 Ex_ueg -0.2083906E-02 Ec_ueg -0.4707747E-03 Delta_ex -0.2507116E-02 Delta_ec 0.3092464E-03 Delta_et -0.2641543E-02 Pxc 0.4426545E+01 Qxc -0.8107179E+01 3,+3 114 3 +1 1.340189 0.737094 -2.276007 Rho 0.2568956E-01 |GRAD(Rho)| 0.5010855E-15 GRAD(Rho)x 0.2178641E-15 GRAD(Rho)y 0.5969626E-16 GRAD(Rho)z 0.4472788E-15 Laplacian 0.9396849E-01 (-1/4)Del**2(Rho)) -0.2349212E-01 Diamond 0.1134315E-01 Metallicity 0.1640181E+01 Ellipticity -0.2891163E+01 Gb(Abramov) 0.2208331E-01 Vb(Abramov) -0.2067449E-01 Hb(Abramov) 0.1408817E-02 Ex_ueg -0.5598356E-02 Ec_ueg -0.1123495E-02 Delta_ex -0.5738689E-02 Delta_ec 0.1329785E-02 Delta_et -0.1187272E-01 Pxc 0.4982985E+01 Qxc -0.4315502E+01 3,+1 115 3 -1 1.716513 0.799416 1.585117 Rho 0.3793319E-01 |GRAD(Rho)| 0.1027765E-15 GRAD(Rho)x 0.7519704E-16 GRAD(Rho)y 0.6618123E-16 GRAD(Rho)z 0.2298842E-16 Laplacian 0.1391152E+00 (-1/4)Del**2(Rho)) -0.3477879E-01 Diamond 0.4603262E-01 Metallicity 0.2121310E+01 Ellipticity 0.3407050E-01 Gb(Abramov) 0.3548197E-01 Vb(Abramov) -0.3618514E-01 Hb(Abramov) -0.7031721E-03 Ex_ueg -0.9413350E-02 Ec_ueg -0.1759619E-02 Delta_ex -0.1053895E-01 Delta_ec 0.3884844E-02 Delta_et -0.3803704E-01 Pxc 0.5349653E+01 Qxc -0.2712837E+01 3,-1 116 3 -1 1.873578 -2.528347 -1.665437 Rho 0.2350974E+00 |GRAD(Rho)| 0.3129704E-10 GRAD(Rho)x 0.1990640E-10 GRAD(Rho)y 0.2344950E-10 GRAD(Rho)z -0.5775901E-11 Laplacian 0.9054525E+00 (-1/4)Del**2(Rho)) -0.2263631E+00 Diamond 0.3092790E+01 Metallicity 0.6815438E+01 Ellipticity 0.1214970E-01 Gb(Abramov) 0.4080360E+00 Vb(Abramov) -0.5897089E+00 Hb(Abramov) -0.1816729E+00 Ex_ueg -0.1071640E+00 Ec_ueg -0.1410087E-01 Delta_ex -0.1086402E+00 Delta_ec 0.1982183E-01 Delta_et -0.2730571E+00 Pxc 0.7599813E+01 Qxc -0.5480834E+01 3,-1 117 3 -1 1.873578 -2.528347 1.665437 Rho 0.2350974E+00 |GRAD(Rho)| 0.3100356E-10 GRAD(Rho)x 0.1970257E-10 GRAD(Rho)y 0.2324587E-10 GRAD(Rho)z 0.5714787E-11 Laplacian 0.9054525E+00 (-1/4)Del**2(Rho)) -0.2263631E+00 Diamond 0.3092790E+01 Metallicity 0.6815438E+01 Ellipticity 0.1214970E-01 Gb(Abramov) 0.4080360E+00 Vb(Abramov) -0.5897089E+00 Hb(Abramov) -0.1816729E+00 Ex_ueg -0.1071640E+00 Ec_ueg -0.1410087E-01 Delta_ex -0.1086402E+00 Delta_ec 0.1982183E-01 Delta_et -0.2730571E+00 Pxc 0.7599813E+01 Qxc -0.5480834E+01 3,-1 118 3 -1 2.811985 1.707767 -0.875564 Rho 0.1406648E+00 |GRAD(Rho)| 0.1138744E-15 GRAD(Rho)x -0.8149812E-16 GRAD(Rho)y 0.1563220E-16 GRAD(Rho)z -0.7798124E-16 Laplacian 0.5897123E+00 (-1/4)Del**2(Rho)) -0.1474281E+00 Diamond 0.1111576E+01 Metallicity 0.4445785E+01 Ellipticity 0.1439494E-01 Gb(Abramov) 0.2075243E+00 Vb(Abramov) -0.2676206E+00 Hb(Abramov) -0.6009624E-01 Ex_ueg -0.5402965E-01 Ec_ueg -0.7848629E-02 Delta_ex -0.6239874E-01 Delta_ec 0.1530339E-01 Delta_et -0.2020501E+00 Pxc 0.6883960E+01 Qxc -0.4077446E+01 3,-1 119 3 -1 2.811985 1.707767 0.875564 Rho 0.1406648E+00 |GRAD(Rho)| 0.2426381E-15 GRAD(Rho)x 0.8468974E-16 GRAD(Rho)y 0.2776595E-16 GRAD(Rho)z -0.2256767E-15 Laplacian 0.5897123E+00 (-1/4)Del**2(Rho)) -0.1474281E+00 Diamond 0.1111576E+01 Metallicity 0.4445785E+01 Ellipticity 0.1439494E-01 Gb(Abramov) 0.2075243E+00 Vb(Abramov) -0.2676206E+00 Hb(Abramov) -0.6009624E-01 Ex_ueg -0.5402965E-01 Ec_ueg -0.7848629E-02 Delta_ex -0.6239874E-01 Delta_ec 0.1530339E-01 Delta_et -0.2020501E+00 Pxc 0.6883960E+01 Qxc -0.4077446E+01 3,-1 120 3 +3 -0.224321 -2.324060 -1.417040 Rho 0.3063714E-02 |GRAD(Rho)| 0.2556734E-17 GRAD(Rho)x -0.7601022E-18 GRAD(Rho)y 0.2150742E-17 GRAD(Rho)z 0.1154749E-17 Laplacian 0.1219736E-01 (-1/4)Del**2(Rho)) -0.3049339E-02 Diamond 0.9586231E-04 Metallicity 0.3651134E+00 Ellipticity -0.6805672E+00 Gb(Abramov) 0.2218452E-02 Vb(Abramov) -0.1387565E-02 Hb(Abramov) 0.8308874E-03 Ex_ueg -0.3286367E-03 Ec_ueg -0.6456252E-04 Delta_ex -0.4617872E-03 Delta_ec 0.2199622E-03 Delta_et -0.1098523E-02 Pxc 0.5090208E+01 Qxc -0.2099393E+01 3,+3 121 3 -1 3.196535 2.340526 -2.221178 Rho 0.2336288E+00 |GRAD(Rho)| 0.7065808E-14 GRAD(Rho)x -0.5921316E-14 GRAD(Rho)y 0.2609566E-14 GRAD(Rho)z 0.2837926E-14 Laplacian 0.8542377E+00 (-1/4)Del**2(Rho)) -0.2135594E+00 Diamond 0.2928221E+01 Metallicity 0.7148996E+01 Ellipticity 0.7168670E-02 Gb(Abramov) 0.3968289E+00 Vb(Abramov) -0.5800983E+00 Hb(Abramov) -0.1832694E+00 Ex_ueg -0.1062723E+00 Ec_ueg -0.1399980E-01 Delta_ex -0.1025058E+00 Delta_ec 0.1905339E-01 Delta_et -0.2637938E+00 Pxc 0.7590988E+01 Qxc -0.5379924E+01 3,-1 122 3 -1 3.196535 2.340526 2.221178 Rho 0.2336288E+00 |GRAD(Rho)| 0.3658764E-13 GRAD(Rho)x -0.4140839E-14 GRAD(Rho)y 0.3633980E-13 GRAD(Rho)z 0.9632323E-15 Laplacian 0.8542377E+00 (-1/4)Del**2(Rho)) -0.2135594E+00 Diamond 0.2928221E+01 Metallicity 0.7148996E+01 Ellipticity 0.7168670E-02 Gb(Abramov) 0.3968289E+00 Vb(Abramov) -0.5800983E+00 Hb(Abramov) -0.1832694E+00 Ex_ueg -0.1062723E+00 Ec_ueg -0.1399980E-01 Delta_ex -0.1025058E+00 Delta_ec 0.1905339E-01 Delta_et -0.2637938E+00 Pxc 0.7590988E+01 Qxc -0.5379924E+01 3,-1 123 3 -1 -2.983963 -2.133832 0.771503 Rho 0.1402311E+00 |GRAD(Rho)| 0.3068640E-13 GRAD(Rho)x 0.1295634E-13 GRAD(Rho)y -0.4803558E-15 GRAD(Rho)z 0.2781290E-13 Laplacian 0.5329310E+00 (-1/4)Del**2(Rho)) -0.1332327E+00 Diamond 0.1014558E+01 Metallicity 0.4894211E+01 Ellipticity 0.5126943E-01 Gb(Abramov) 0.1975000E+00 Vb(Abramov) -0.2617673E+00 Hb(Abramov) -0.6426729E-01 Ex_ueg -0.5380767E-01 Ec_ueg -0.7821126E-02 Delta_ex -0.5649787E-01 Delta_ec 0.1410742E-01 Delta_et -0.1867270E+00 Pxc 0.6879785E+01 Qxc -0.4004832E+01 3,-1 124 3 -1 -1.976390 2.718221 -1.500415 Rho 0.1167742E+00 |GRAD(Rho)| 0.3161714E-15 GRAD(Rho)x -0.2113449E-15 GRAD(Rho)y -0.2029491E-15 GRAD(Rho)z -0.1187828E-15 Laplacian 0.4648923E+00 (-1/4)Del**2(Rho)) -0.1162231E+00 Diamond 0.6954174E+00 Metallicity 0.4135289E+01 Ellipticity 0.2145117E-01 Gb(Abramov) 0.1575847E+00 Vb(Abramov) -0.1989464E+00 Hb(Abramov) -0.4136165E-01 Ex_ueg -0.4215487E-01 Ec_ueg -0.6351930E-02 Delta_ex -0.4696698E-01 Delta_ec 0.1247894E-01 Delta_et -0.1595517E+00 Pxc 0.6636546E+01 Qxc -0.3763700E+01 3,-1 125 3 +1 -2.186210 1.765661 -0.000000 Rho 0.2777684E-01 |GRAD(Rho)| 0.5927546E-15 GRAD(Rho)x 0.2487278E-15 GRAD(Rho)y 0.5377653E-15 GRAD(Rho)z 0.1734882E-16 Laplacian 0.1037382E+00 (-1/4)Del**2(Rho)) -0.2593456E-01 Diamond 0.1464133E-01 Metallicity 0.1692307E+01 Ellipticity -0.3678506E+01 Gb(Abramov) 0.2460458E-01 Vb(Abramov) -0.2327460E-01 Hb(Abramov) 0.1329980E-02 Ex_ueg -0.6212917E-02 Ec_ueg -0.1229515E-02 Delta_ex -0.6538098E-02 Delta_ec 0.1584364E-02 Delta_et -0.1437417E-01 Pxc 0.5053145E+01 Qxc -0.4126639E+01 3,+1 126 3 -1 -1.976390 2.718221 1.500415 Rho 0.1167742E+00 |GRAD(Rho)| 0.2082220E-15 GRAD(Rho)x -0.7625329E-16 GRAD(Rho)y -0.1917412E-15 GRAD(Rho)z -0.2787755E-16 Laplacian 0.4648923E+00 (-1/4)Del**2(Rho)) -0.1162231E+00 Diamond 0.6954174E+00 Metallicity 0.4135289E+01 Ellipticity 0.2145117E-01 Gb(Abramov) 0.1575847E+00 Vb(Abramov) -0.1989464E+00 Hb(Abramov) -0.4136165E-01 Ex_ueg -0.4215487E-01 Ec_ueg -0.6351930E-02 Delta_ex -0.4696698E-01 Delta_ec 0.1247894E-01 Delta_et -0.1595517E+00 Pxc 0.6636546E+01 Qxc -0.3763700E+01 3,-1 127 3 -1 -0.850767 3.529424 -0.717333 Rho 0.1528025E+00 |GRAD(Rho)| 0.2912077E-15 GRAD(Rho)x -0.4805726E-16 GRAD(Rho)y -0.2446511E-15 GRAD(Rho)z -0.1504602E-15 Laplacian 0.5975441E+00 (-1/4)Del**2(Rho)) -0.1493860E+00 Diamond 0.1241777E+01 Metallicity 0.5036483E+01 Ellipticity 0.4572718E-01 Gb(Abramov) 0.2249874E+00 Vb(Abramov) -0.3005887E+00 Hb(Abramov) -0.7560134E-01 Ex_ueg -0.6033357E-01 Ec_ueg -0.8623155E-02 Delta_ex -0.6449890E-01 Delta_ec 0.1515431E-01 Delta_et -0.2023972E+00 Pxc 0.6996693E+01 Qxc -0.4256141E+01 3,-1 128 3 -1 -0.850767 3.529424 0.717333 Rho 0.1528025E+00 |GRAD(Rho)| 0.3432621E-15 GRAD(Rho)x 0.2131541E-15 GRAD(Rho)y -0.2449899E-15 GRAD(Rho)z -0.1112391E-15 Laplacian 0.5975441E+00 (-1/4)Del**2(Rho)) -0.1493860E+00 Diamond 0.1241777E+01 Metallicity 0.5036483E+01 Ellipticity 0.4572718E-01 Gb(Abramov) 0.2249874E+00 Vb(Abramov) -0.3005887E+00 Hb(Abramov) -0.7560134E-01 Ex_ueg -0.6033357E-01 Ec_ueg -0.8623155E-02 Delta_ex -0.6449890E-01 Delta_ec 0.1515431E-01 Delta_et -0.2023972E+00 Pxc 0.6996693E+01 Qxc -0.4256141E+01 3,-1 129 3 -1 0.331440 -0.078283 0.552597 Rho 0.1355009E+00 |GRAD(Rho)| 0.6045924E-12 GRAD(Rho)x -0.3537159E-12 GRAD(Rho)y 0.1772130E-13 GRAD(Rho)z -0.4900030E-12 Laplacian 0.6964455E+00 (-1/4)Del**2(Rho)) -0.1741114E+00 Diamond 0.1503369E+01 Metallicity 0.3536956E+01 Ellipticity 0.4534155E-02 Gb(Abramov) 0.2187116E+00 Vb(Abramov) -0.2633119E+00 Hb(Abramov) -0.4460025E-01 Ex_ueg -0.5140136E-01 Ec_ueg -0.7521926E-02 Delta_ex -0.7585866E-01 Delta_ec 0.2329422E-01 Delta_et -0.3157502E+00 Pxc 0.6833537E+01 Qxc -0.3256545E+01 3,-1 130 3 -1 0.331440 -0.078283 -0.552597 Rho 0.1355009E+00 |GRAD(Rho)| 0.6044753E-12 GRAD(Rho)x -0.3535286E-12 GRAD(Rho)y 0.1771420E-13 GRAD(Rho)z 0.4899940E-12 Laplacian 0.6964455E+00 (-1/4)Del**2(Rho)) -0.1741114E+00 Diamond 0.1503369E+01 Metallicity 0.3536956E+01 Ellipticity 0.4534155E-02 Gb(Abramov) 0.2187116E+00 Vb(Abramov) -0.2633119E+00 Hb(Abramov) -0.4460025E-01 Ex_ueg -0.5140136E-01 Ec_ueg -0.7521926E-02 Delta_ex -0.7585866E-01 Delta_ec 0.2329422E-01 Delta_et -0.3157502E+00 Pxc 0.6833537E+01 Qxc -0.3256545E+01 3,-1 131 3 -1 -0.058796 0.006682 4.446285 Rho 0.2328342E+00 |GRAD(Rho)| 0.8695721E-13 GRAD(Rho)x 0.1769499E-13 GRAD(Rho)y -0.2152641E-15 GRAD(Rho)z -0.8513752E-13 Laplacian 0.8799650E+00 (-1/4)Del**2(Rho)) -0.2199913E+00 Diamond 0.2980896E+01 Metallicity 0.6900688E+01 Ellipticity 0.1444023E-02 Gb(Abramov) 0.3996760E+00 Vb(Abramov) -0.5793608E+00 Hb(Abramov) -0.1796848E+00 Ex_ueg -0.1057907E+00 Ec_ueg -0.1394517E-01 Delta_ex -0.1053709E+00 Delta_ec 0.1941744E-01 Delta_et -0.2678227E+00 Pxc 0.7586189E+01 Qxc -0.5426613E+01 3,-1 132 3 -1 0.514003 -0.039191 -2.379577 Rho 0.5781422E-01 |GRAD(Rho)| 0.3185494E-12 GRAD(Rho)x -0.2291751E-12 GRAD(Rho)y 0.2072191E-12 GRAD(Rho)z -0.7754180E-13 Laplacian 0.2217409E+00 (-1/4)Del**2(Rho)) -0.5543523E-01 Diamond 0.1338182E+00 Metallicity 0.2686324E+01 Ellipticity 0.8736597E-02 Gb(Abramov) 0.6177632E-01 Vb(Abramov) -0.6811741E-01 Hb(Abramov) -0.6341088E-02 Ex_ueg -0.1651067E-01 Ec_ueg -0.2851161E-02 Delta_ex -0.1882458E-01 Delta_ec 0.6401838E-02 Delta_et -0.7000020E-01 Pxc 0.5790857E+01 Qxc -0.2940495E+01 3,-1 133 3 -1 0.514003 -0.039191 2.379577 Rho 0.5781422E-01 |GRAD(Rho)| 0.3210439E-12 GRAD(Rho)x -0.2878015E-12 GRAD(Rho)y 0.1364148E-12 GRAD(Rho)z 0.4037934E-13 Laplacian 0.2217409E+00 (-1/4)Del**2(Rho)) -0.5543523E-01 Diamond 0.1338182E+00 Metallicity 0.2686324E+01 Ellipticity 0.8736597E-02 Gb(Abramov) 0.6177632E-01 Vb(Abramov) -0.6811741E-01 Hb(Abramov) -0.6341088E-02 Ex_ueg -0.1651067E-01 Ec_ueg -0.2851161E-02 Delta_ex -0.1882458E-01 Delta_ec 0.6401838E-02 Delta_et -0.7000020E-01 Pxc 0.5790857E+01 Qxc -0.2940495E+01 3,-1 134 3 +3 -0.224321 -2.324060 1.417040 Rho 0.3063714E-02 |GRAD(Rho)| 0.1193875E-14 GRAD(Rho)x 0.1179395E-14 GRAD(Rho)y -0.1126629E-15 GRAD(Rho)z -0.1472113E-15 Laplacian 0.1219736E-01 (-1/4)Del**2(Rho)) -0.3049339E-02 Diamond 0.9586230E-04 Metallicity 0.3651134E+00 Ellipticity -0.6805672E+00 Gb(Abramov) 0.2218452E-02 Vb(Abramov) -0.1387565E-02 Hb(Abramov) 0.8308874E-03 Ex_ueg -0.3286367E-03 Ec_ueg -0.6456252E-04 Delta_ex -0.4617872E-03 Delta_ec 0.2199622E-03 Delta_et -0.1098523E-02 Pxc 0.5090208E+01 Qxc -0.2099393E+01 3,+3 135 3 -1 1.981341 -1.526285 -2.720675 Rho 0.1280429E+00 |GRAD(Rho)| 0.6520868E-15 GRAD(Rho)x -0.8029872E-17 GRAD(Rho)y -0.1133737E-15 GRAD(Rho)z 0.6421052E-15 Laplacian 0.4922633E+00 (-1/4)Del**2(Rho)) -0.1230658E+00 Diamond 0.8380209E+00 Metallicity 0.4553459E+01 Ellipticity 0.2946852E-01 Gb(Abramov) 0.1754398E+00 Vb(Abramov) -0.2278137E+00 Hb(Abramov) -0.5237394E-01 Ex_ueg -0.4766421E-01 Ec_ueg -0.7053138E-02 Delta_ex -0.5103038E-01 Delta_ec 0.1326910E-01 Delta_et -0.1729624E+00 Pxc 0.6757873E+01 Qxc -0.3845805E+01 3,-1 136 3 -1 1.665920 -0.932492 -1.561225 Rho 0.4978770E-01 |GRAD(Rho)| 0.5687993E-16 GRAD(Rho)x 0.1233365E-16 GRAD(Rho)y 0.4721489E-16 GRAD(Rho)z -0.2922264E-16 Laplacian 0.1856215E+00 (-1/4)Del**2(Rho)) -0.4640537E-01 Diamond 0.9199145E-01 Metallicity 0.2501430E+01 Ellipticity 0.1231434E-01 Gb(Abramov) 0.5028354E-01 Vb(Abramov) -0.5416172E-01 Hb(Abramov) -0.3878174E-02 Ex_ueg -0.1352740E-01 Ec_ueg -0.2403142E-02 Delta_ex -0.1519488E-01 Delta_ec 0.5410046E-02 Delta_et -0.5695052E-01 Pxc 0.5629049E+01 Qxc -0.2808642E+01 3,-1 137 3 +1 1.650317 -0.754671 0.000000 Rho 0.8990033E-02 |GRAD(Rho)| 0.1259162E-16 GRAD(Rho)x -0.1032876E-16 GRAD(Rho)y 0.4223502E-17 GRAD(Rho)z 0.5833330E-17 Laplacian 0.3716704E-01 (-1/4)Del**2(Rho)) -0.9291759E-02 Diamond 0.1025725E-02 Metallicity 0.7206495E+00 Ellipticity -0.1371305E+01 Gb(Abramov) 0.7310523E-02 Vb(Abramov) -0.5329287E-02 Hb(Abramov) 0.1981236E-02 Ex_ueg -0.1380597E-02 Ec_ueg -0.3224649E-03 Delta_ex -0.1704017E-02 Delta_ec 0.4995603E-03 Delta_et -0.3472354E-02 Pxc 0.4281386E+01 Qxc -0.3411034E+01 3,+1 138 3 -1 1.665920 -0.932492 1.561225 Rho 0.4978770E-01 |GRAD(Rho)| 0.2488708E-13 GRAD(Rho)x 0.2223197E-14 GRAD(Rho)y 0.2478758E-13 GRAD(Rho)z -0.1055255E-16 Laplacian 0.1856215E+00 (-1/4)Del**2(Rho)) -0.4640537E-01 Diamond 0.9199145E-01 Metallicity 0.2501430E+01 Ellipticity 0.1231434E-01 Gb(Abramov) 0.5028354E-01 Vb(Abramov) -0.5416172E-01 Hb(Abramov) -0.3878174E-02 Ex_ueg -0.1352740E-01 Ec_ueg -0.2403142E-02 Delta_ex -0.1519488E-01 Delta_ec 0.5410046E-02 Delta_et -0.5695052E-01 Pxc 0.5629049E+01 Qxc -0.2808642E+01 3,-1 139 3 -1 1.981341 -1.526285 2.720675 Rho 0.1280429E+00 |GRAD(Rho)| 0.2573409E-12 GRAD(Rho)x 0.7092768E-13 GRAD(Rho)y 0.1955994E-12 GRAD(Rho)z 0.1514413E-12 Laplacian 0.4922633E+00 (-1/4)Del**2(Rho)) -0.1230658E+00 Diamond 0.8380209E+00 Metallicity 0.4553459E+01 Ellipticity 0.2946852E-01 Gb(Abramov) 0.1754398E+00 Vb(Abramov) -0.2278137E+00 Hb(Abramov) -0.5237394E-01 Ex_ueg -0.4766421E-01 Ec_ueg -0.7053138E-02 Delta_ex -0.5103038E-01 Delta_ec 0.1326910E-01 Delta_et -0.1729624E+00 Pxc 0.6757873E+01 Qxc -0.3845805E+01 3,-1 140 3 -1 2.984753 0.067088 0.000000 Rho 0.5421003E-02 |GRAD(Rho)| 0.1519634E-15 GRAD(Rho)x 0.1501599E-15 GRAD(Rho)y 0.2334170E-16 GRAD(Rho)z 0.1582599E-18 Laplacian 0.2178370E-01 (-1/4)Del**2(Rho)) -0.5445925E-02 Diamond 0.6591476E-03 Metallicity 0.5291931E+00 Ellipticity 0.3500994E+01 Gb(Abramov) 0.4110941E-02 Vb(Abramov) -0.2775957E-02 Hb(Abramov) 0.1334984E-02 Ex_ueg -0.7033280E-03 Ec_ueg -0.1650750E-03 Delta_ex -0.1177572E-02 Delta_ec 0.8241043E-03 Delta_et -0.4530163E-02 Pxc 0.4260657E+01 Qxc -0.1428911E+01 3,-1 141 3 -1 3.232961 -2.266317 -2.202964 Rho 0.2256544E+00 |GRAD(Rho)| 0.6184021E-14 GRAD(Rho)x -0.4235761E-14 GRAD(Rho)y 0.3989864E-14 GRAD(Rho)z 0.2093188E-14 Laplacian 0.8388809E+00 (-1/4)Del**2(Rho)) -0.2097202E+00 Diamond 0.2754761E+01 Metallicity 0.6870460E+01 Ellipticity 0.2084396E-01 Gb(Abramov) 0.3799592E+00 Vb(Abramov) -0.5501982E+00 Hb(Abramov) -0.1702390E+00 Ex_ueg -0.1014636E+00 Ec_ueg -0.1345308E-01 Delta_ex -0.9974078E-01 Delta_ec 0.1886801E-01 Delta_et -0.2606746E+00 Pxc 0.7542031E+01 Qxc -0.5286238E+01 3,-1 142 3 -1 3.232961 -2.266317 2.202964 Rho 0.2256544E+00 |GRAD(Rho)| 0.5927475E-14 GRAD(Rho)x -0.4129997E-14 GRAD(Rho)y 0.3707755E-14 GRAD(Rho)z -0.2081018E-14 Laplacian 0.8388809E+00 (-1/4)Del**2(Rho)) -0.2097202E+00 Diamond 0.2754761E+01 Metallicity 0.6870460E+01 Ellipticity 0.2084396E-01 Gb(Abramov) 0.3799592E+00 Vb(Abramov) -0.5501982E+00 Hb(Abramov) -0.1702390E+00 Ex_ueg -0.1014636E+00 Ec_ueg -0.1345308E-01 Delta_ex -0.9974078E-01 Delta_ec 0.1886801E-01 Delta_et -0.2606746E+00 Pxc 0.7542031E+01 Qxc -0.5286238E+01 3,-1 143 3 -1 -3.198153 -2.157511 -2.261062 Rho 0.2234907E+00 |GRAD(Rho)| 0.9547383E-15 GRAD(Rho)x 0.3561062E-15 GRAD(Rho)y 0.3299566E-15 GRAD(Rho)z 0.8220963E-15 Laplacian 0.8455579E+00 (-1/4)Del**2(Rho)) -0.2113895E+00 Diamond 0.2735492E+01 Metallicity 0.6707625E+01 Ellipticity 0.2535503E-01 Gb(Abramov) 0.3772465E+00 Vb(Abramov) -0.5431036E+00 Hb(Abramov) -0.1658571E+00 Ex_ueg -0.1001684E+00 Ec_ueg -0.1330534E-01 Delta_ex -0.1002301E+00 Delta_ec 0.1897483E-01 Delta_et -0.2616333E+00 Pxc 0.7528438E+01 Qxc -0.5282265E+01 3,-1 144 3 -1 -2.983963 -2.133832 -0.771503 Rho 0.1402311E+00 |GRAD(Rho)| 0.8024228E-14 GRAD(Rho)x 0.3466520E-14 GRAD(Rho)y 0.9559444E-16 GRAD(Rho)z -0.7236182E-14 Laplacian 0.5329310E+00 (-1/4)Del**2(Rho)) -0.1332328E+00 Diamond 0.1014558E+01 Metallicity 0.4894211E+01 Ellipticity 0.5126943E-01 Gb(Abramov) 0.1975000E+00 Vb(Abramov) -0.2617673E+00 Hb(Abramov) -0.6426729E-01 Ex_ueg -0.5380767E-01 Ec_ueg -0.7821126E-02 Delta_ex -0.5649787E-01 Delta_ec 0.1410742E-01 Delta_et -0.1867270E+00 Pxc 0.6879785E+01 Qxc -0.4004832E+01 3,-1 145 3 -1 -3.198153 -2.157511 2.261062 Rho 0.2234907E+00 |GRAD(Rho)| 0.3716992E-13 GRAD(Rho)x 0.2919513E-13 GRAD(Rho)y 0.5571037E-15 GRAD(Rho)z -0.2299864E-13 Laplacian 0.8455579E+00 (-1/4)Del**2(Rho)) -0.2113895E+00 Diamond 0.2735492E+01 Metallicity 0.6707625E+01 Ellipticity 0.2535503E-01 Gb(Abramov) 0.3772465E+00 Vb(Abramov) -0.5431036E+00 Hb(Abramov) -0.1658571E+00 Ex_ueg -0.1001684E+00 Ec_ueg -0.1330534E-01 Delta_ex -0.1002301E+00 Delta_ec 0.1897483E-01 Delta_et -0.2616333E+00 Pxc 0.7528438E+01 Qxc -0.5282265E+01 3,-1 146 3 -1 -1.785667 1.572608 -2.334247 Rho 0.1386440E+00 |GRAD(Rho)| 0.7452293E-12 GRAD(Rho)x 0.5462327E-12 GRAD(Rho)y -0.2023069E-12 GRAD(Rho)z -0.4648317E-12 Laplacian 0.5755311E+00 (-1/4)Del**2(Rho)) -0.1438828E+00 Diamond 0.1070849E+01 Metallicity 0.4446785E+01 Ellipticity 0.9257415E-02 Gb(Abramov) 0.2025578E+00 Vb(Abramov) -0.2612328E+00 Hb(Abramov) -0.5867502E-01 Ex_ueg -0.5299722E-01 Ec_ueg -0.7720577E-02 Delta_ex -0.6073631E-01 Delta_ec 0.1508073E-01 Delta_et -0.1988607E+00 Pxc 0.6864412E+01 Qxc -0.4027411E+01 3,-1 147 3 -1 -1.785667 1.572608 2.334247 Rho 0.1386440E+00 |GRAD(Rho)| 0.7451674E-12 GRAD(Rho)x 0.5462048E-12 GRAD(Rho)y -0.2023913E-12 GRAD(Rho)z 0.4647284E-12 Laplacian 0.5755311E+00 (-1/4)Del**2(Rho)) -0.1438828E+00 Diamond 0.1070849E+01 Metallicity 0.4446785E+01 Ellipticity 0.9257415E-02 Gb(Abramov) 0.2025578E+00 Vb(Abramov) -0.2612328E+00 Hb(Abramov) -0.5867502E-01 Ex_ueg -0.5299722E-01 Ec_ueg -0.7720577E-02 Delta_ex -0.6073631E-01 Delta_ec 0.1508073E-01 Delta_et -0.1988607E+00 Pxc 0.6864412E+01 Qxc -0.4027411E+01 3,-1 148 3 -1 -1.722298 1.566222 -0.826164 Rho 0.5150322E-01 |GRAD(Rho)| 0.5706872E-16 GRAD(Rho)x -0.1483790E-16 GRAD(Rho)y -0.1717550E-16 GRAD(Rho)z -0.5236104E-16 Laplacian 0.1950669E+00 (-1/4)Del**2(Rho)) -0.4876674E-01 Diamond 0.1001401E+00 Metallicity 0.2518567E+01 Ellipticity 0.1617210E-01 Gb(Abramov) 0.5298154E-01 Vb(Abramov) -0.5719634E-01 Hb(Abramov) -0.4214800E-02 Ex_ueg -0.1415243E-01 Ec_ueg -0.2498133E-02 Delta_ex -0.1606044E-01 Delta_ec 0.5603219E-02 Delta_et -0.5947803E-01 Pxc 0.5665200E+01 Qxc -0.2866288E+01 3,-1 149 3 -1 -1.722298 1.566222 0.826164 Rho 0.5150322E-01 |GRAD(Rho)| 0.1004460E-15 GRAD(Rho)x 0.7212274E-16 GRAD(Rho)y -0.2645962E-16 GRAD(Rho)z -0.6471162E-16 Laplacian 0.1950669E+00 (-1/4)Del**2(Rho)) -0.4876674E-01 Diamond 0.1001401E+00 Metallicity 0.2518567E+01 Ellipticity 0.1617210E-01 Gb(Abramov) 0.5298154E-01 Vb(Abramov) -0.5719634E-01 Hb(Abramov) -0.4214800E-02 Ex_ueg -0.1415243E-01 Ec_ueg -0.2498133E-02 Delta_ex -0.1606044E-01 Delta_ec 0.5603219E-02 Delta_et -0.5947803E-01 Pxc 0.5665200E+01 Qxc -0.2866288E+01 3,-1 150 3 -1 -0.212433 -3.372044 1.593829 Rho 0.4924294E-02 |GRAD(Rho)| 0.3091401E-17 GRAD(Rho)x -0.3010798E-17 GRAD(Rho)y -0.5668088E-18 GRAD(Rho)z -0.4130169E-18 Laplacian 0.1896401E-01 (-1/4)Del**2(Rho)) -0.4741001E-02 Diamond 0.6636226E-03 Metallicity 0.5179124E+00 Ellipticity 0.1654857E+00 Gb(Abramov) 0.3569905E-02 Vb(Abramov) -0.2398808E-02 Hb(Abramov) 0.1171097E-02 Ex_ueg -0.6187430E-03 Ec_ueg -0.1436563E-03 Delta_ex -0.1158401E-02 Delta_ec 0.9869137E-03 Delta_et -0.5177427E-02 Pxc 0.4307107E+01 Qxc -0.1173762E+01 3,-1 151 3 -1 -0.212433 -3.372044 -1.593829 Rho 0.4924294E-02 |GRAD(Rho)| 0.3236540E-17 GRAD(Rho)x -0.2358202E-17 GRAD(Rho)y -0.2085268E-17 GRAD(Rho)z 0.7521534E-18 Laplacian 0.1896401E-01 (-1/4)Del**2(Rho)) -0.4741001E-02 Diamond 0.6636226E-03 Metallicity 0.5179124E+00 Ellipticity 0.1654857E+00 Gb(Abramov) 0.3569905E-02 Vb(Abramov) -0.2398808E-02 Hb(Abramov) 0.1171097E-02 Ex_ueg -0.6187430E-03 Ec_ueg -0.1436563E-03 Delta_ex -0.1158401E-02 Delta_ec 0.9869137E-03 Delta_et -0.5177427E-02 Pxc 0.4307107E+01 Qxc -0.1173762E+01 3,-1 152 3 -1 0.887360 -0.683563 3.501662 Rho 0.1466523E+00 |GRAD(Rho)| 0.7593659E-15 GRAD(Rho)x -0.7433968E-15 GRAD(Rho)y -0.1488067E-15 GRAD(Rho)z -0.4306188E-16 Laplacian 0.5807222E+00 (-1/4)Del**2(Rho)) -0.1451806E+00 Diamond 0.1145688E+01 Metallicity 0.4839414E+01 Ellipticity 0.6518443E-01 Gb(Abramov) 0.2138852E+00 Vb(Abramov) -0.2825898E+00 Hb(Abramov) -0.6870463E-01 Ex_ueg -0.5711763E-01 Ec_ueg -0.8229558E-02 Delta_ex -0.6202294E-01 Delta_ec 0.1482288E-01 Delta_et -0.1967082E+00 Pxc 0.6940547E+01 Qxc -0.4184270E+01 3,-1 153 3 -1 0.856142 0.739398 -3.477343 Rho 0.1382518E+00 |GRAD(Rho)| 0.4917658E-15 GRAD(Rho)x -0.1365011E-15 GRAD(Rho)y 0.4641198E-15 GRAD(Rho)z -0.8828286E-16 Laplacian 0.5451826E+00 (-1/4)Del**2(Rho)) -0.1362957E+00 Diamond 0.1004332E+01 Metallicity 0.4672214E+01 Ellipticity 0.4382648E-01 Gb(Abramov) 0.1969975E+00 Vb(Abramov) -0.2576994E+00 Hb(Abramov) -0.6070185E-01 Ex_ueg -0.5279745E-01 Ec_ueg -0.7695758E-02 Delta_ex -0.5742076E-01 Delta_ec 0.1416433E-01 Delta_et -0.1864301E+00 Pxc 0.6860591E+01 Qxc -0.4053898E+01 3,-1 154 3 -1 0.887360 -0.683563 -3.501662 Rho 0.1466523E+00 |GRAD(Rho)| 0.9836842E-15 GRAD(Rho)x -0.9813385E-15 GRAD(Rho)y 0.5524010E-16 GRAD(Rho)z 0.3946919E-16 Laplacian 0.5807222E+00 (-1/4)Del**2(Rho)) -0.1451806E+00 Diamond 0.1145688E+01 Metallicity 0.4839414E+01 Ellipticity 0.6518443E-01 Gb(Abramov) 0.2138852E+00 Vb(Abramov) -0.2825898E+00 Hb(Abramov) -0.6870463E-01 Ex_ueg -0.5711763E-01 Ec_ueg -0.8229558E-02 Delta_ex -0.6202294E-01 Delta_ec 0.1482288E-01 Delta_et -0.1967082E+00 Pxc 0.6940547E+01 Qxc -0.4184270E+01 3,-1 155 3 -1 1.444315 -3.049273 -0.000000 Rho 0.7418049E-02 |GRAD(Rho)| 0.3264361E-15 GRAD(Rho)x 0.2244072E-15 GRAD(Rho)y 0.2360335E-15 GRAD(Rho)z -0.2213802E-16 Laplacian 0.3039660E-01 (-1/4)Del**2(Rho)) -0.7599150E-02 Diamond 0.1552924E-02 Metallicity 0.6396430E+00 Ellipticity 0.6613208E+00 Gb(Abramov) 0.5876224E-02 Vb(Abramov) -0.4153298E-02 Hb(Abramov) 0.1722926E-02 Ex_ueg -0.1068492E-02 Ec_ueg -0.2524108E-03 Delta_ex -0.1825146E-02 Delta_ec 0.1297550E-02 Delta_et -0.7800554E-02 Pxc 0.4233147E+01 Qxc -0.1406610E+01 3,-1 156 3 -1 1.992114 1.535552 2.715674 Rho 0.1391101E+00 |GRAD(Rho)| 0.5321862E-15 GRAD(Rho)x -0.4385462E-15 GRAD(Rho)y -0.7895702E-16 GRAD(Rho)z 0.2909728E-15 Laplacian 0.5447480E+00 (-1/4)Del**2(Rho)) -0.1361870E+00 Diamond 0.1014993E+01 Metallicity 0.4724422E+01 Ellipticity 0.3342711E-01 Gb(Abramov) 0.1980255E+00 Vb(Abramov) -0.2598639E+00 Hb(Abramov) -0.6183847E-01 Ex_ueg -0.5323492E-01 Ec_ueg -0.7750091E-02 Delta_ex -0.5750511E-01 Delta_ec 0.1420994E-01 Delta_et -0.1873683E+00 Pxc 0.6868942E+01 Qxc -0.4046822E+01 3,-1 157 3 -1 1.992114 1.535552 -2.715674 Rho 0.1391101E+00 |GRAD(Rho)| 0.3410645E-14 GRAD(Rho)x 0.1972923E-14 GRAD(Rho)y 0.6434367E-15 GRAD(Rho)z 0.2706670E-14 Laplacian 0.5447480E+00 (-1/4)Del**2(Rho)) -0.1361870E+00 Diamond 0.1014993E+01 Metallicity 0.4724422E+01 Ellipticity 0.3342711E-01 Gb(Abramov) 0.1980255E+00 Vb(Abramov) -0.2598639E+00 Hb(Abramov) -0.6183847E-01 Ex_ueg -0.5323492E-01 Ec_ueg -0.7750091E-02 Delta_ex -0.5750511E-01 Delta_ec 0.1420994E-01 Delta_et -0.1873683E+00 Pxc 0.6868942E+01 Qxc -0.4046822E+01 3,-1 158 3 -1 -0.542352 -0.680596 -3.169438 Rho 0.1504787E+00 |GRAD(Rho)| 0.5118367E-13 GRAD(Rho)x -0.4514509E-14 GRAD(Rho)y -0.1361246E-13 GRAD(Rho)z 0.4913337E-13 Laplacian 0.6393029E+00 (-1/4)Del**2(Rho)) -0.1598257E+00 Diamond 0.1297807E+01 Metallicity 0.4588792E+01 Ellipticity 0.2027312E-01 Gb(Abramov) 0.2287850E+00 Vb(Abramov) -0.2977442E+00 Hb(Abramov) -0.6895925E-01 Ex_ueg -0.5911330E-01 Ec_ueg -0.8474167E-02 Delta_ex -0.6868206E-01 Delta_ec 0.1615979E-01 Delta_et -0.2151028E+00 Pxc 0.6975707E+01 Qxc -0.4250182E+01 3,-1 159 3 -1 1.805058 2.341468 -1.562598 Rho 0.1338957E+00 |GRAD(Rho)| 0.7914971E-15 GRAD(Rho)x -0.6059064E-15 GRAD(Rho)y 0.4491850E-15 GRAD(Rho)z 0.2399543E-15 Laplacian 0.5673519E+00 (-1/4)Del**2(Rho)) -0.1418380E+00 Diamond 0.1003120E+01 Metallicity 0.4256359E+01 Ellipticity 0.8074811E-02 Gb(Abramov) 0.1951775E+00 Vb(Abramov) -0.2485171E+00 Hb(Abramov) -0.5333956E-01 Ex_ueg -0.5059106E-01 Ec_ueg -0.7420719E-02 Delta_ex -0.5926345E-01 Delta_ec 0.1480055E-01 Delta_et -0.1937281E+00 Pxc 0.6817542E+01 Qxc -0.4004138E+01 3,-1 160 3 -1 -3.002544 2.061699 -0.785101 Rho 0.1383442E+00 |GRAD(Rho)| 0.3194573E-15 GRAD(Rho)x -0.9942134E-16 GRAD(Rho)y -0.1350171E-16 GRAD(Rho)z 0.3032920E-15 Laplacian 0.5414192E+00 (-1/4)Del**2(Rho)) -0.1353548E+00 Diamond 0.1002467E+01 Metallicity 0.4709932E+01 Ellipticity 0.4198767E-01 Gb(Abramov) 0.1964885E+00 Vb(Abramov) -0.2576222E+00 Hb(Abramov) -0.6113372E-01 Ex_ueg -0.5284451E-01 Ec_ueg -0.7701605E-02 Delta_ex -0.5708100E-01 Delta_ec 0.1414883E-01 Delta_et -0.1864175E+00 Pxc 0.6861493E+01 Qxc -0.4034327E+01 3,-1 161 3 -1 -3.002544 2.061699 0.785101 Rho 0.1383442E+00 |GRAD(Rho)| 0.2635858E-15 GRAD(Rho)x 0.4121324E-16 GRAD(Rho)y -0.1541431E-15 GRAD(Rho)z 0.2098067E-15 Laplacian 0.5414192E+00 (-1/4)Del**2(Rho)) -0.1353548E+00 Diamond 0.1002467E+01 Metallicity 0.4709932E+01 Ellipticity 0.4198767E-01 Gb(Abramov) 0.1964885E+00 Vb(Abramov) -0.2576222E+00 Hb(Abramov) -0.6113372E-01 Ex_ueg -0.5284451E-01 Ec_ueg -0.7701605E-02 Delta_ex -0.5708100E-01 Delta_ec 0.1414883E-01 Delta_et -0.1864175E+00 Pxc 0.6861493E+01 Qxc -0.4034327E+01 3,-1 162 3 -1 -0.536099 2.412669 -0.000000 Rho 0.5023131E-01 |GRAD(Rho)| 0.1572706E-12 GRAD(Rho)x 0.5080174E-13 GRAD(Rho)y 0.1488396E-12 GRAD(Rho)z 0.1620132E-17 Laplacian 0.1928827E+00 (-1/4)Del**2(Rho)) -0.4822068E-01 Diamond 0.9624040E-01 Metallicity 0.2443116E+01 Ellipticity 0.9272236E-02 Gb(Abramov) 0.5178190E-01 Vb(Abramov) -0.5534312E-01 Hb(Abramov) -0.3561223E-02 Ex_ueg -0.1368835E-01 Ec_ueg -0.2427664E-02 Delta_ex -0.1580291E-01 Delta_ec 0.5582314E-02 Delta_et -0.5888785E-01 Pxc 0.5638486E+01 Qxc -0.2830889E+01 3,-1 163 3 -1 -2.788645 0.891322 -1.631553 Rho 0.1948940E+00 |GRAD(Rho)| 0.1918754E-15 GRAD(Rho)x -0.1208750E-15 GRAD(Rho)y 0.1457168E-15 GRAD(Rho)z 0.3117759E-16 Laplacian 0.7963922E+00 (-1/4)Del**2(Rho)) -0.1990981E+00 Diamond 0.2174244E+01 Metallicity 0.5668703E+01 Ellipticity 0.2356434E-01 Gb(Abramov) 0.3208366E+00 Vb(Abramov) -0.4425752E+00 Hb(Abramov) -0.1217386E+00 Ex_ueg -0.8345450E-01 Ec_ueg -0.1137705E-01 Delta_ex -0.9105813E-01 Delta_ec 0.1842979E-01 Delta_et -0.2513210E+00 Pxc 0.7335336E+01 Qxc -0.4940811E+01 3,-1 164 3 -1 -2.788645 0.891322 1.631553 Rho 0.1948940E+00 |GRAD(Rho)| 0.2798311E-13 GRAD(Rho)x 0.2238512E-14 GRAD(Rho)y 0.2786340E-13 GRAD(Rho)z 0.1293961E-14 Laplacian 0.7963922E+00 (-1/4)Del**2(Rho)) -0.1990980E+00 Diamond 0.2174243E+01 Metallicity 0.5668703E+01 Ellipticity 0.2356434E-01 Gb(Abramov) 0.3208366E+00 Vb(Abramov) -0.4425752E+00 Hb(Abramov) -0.1217386E+00 Ex_ueg -0.8345450E-01 Ec_ueg -0.1137705E-01 Delta_ex -0.9105812E-01 Delta_ec 0.1842979E-01 Delta_et -0.2513210E+00 Pxc 0.7335336E+01 Qxc -0.4940811E+01 3,-1 165 3 -1 -3.185634 2.206120 -2.289610 Rho 0.2291920E+00 |GRAD(Rho)| 0.1588020E-12 GRAD(Rho)x 0.1034299E-12 GRAD(Rho)y -0.6695176E-13 GRAD(Rho)z 0.1001889E-12 Laplacian 0.8572758E+00 (-1/4)Del**2(Rho)) -0.2143190E+00 Diamond 0.2854510E+01 Metallicity 0.6899618E+01 Ellipticity 0.8717105E-02 Gb(Abramov) 0.3893325E+00 Vb(Abramov) -0.5643460E+00 Hb(Abramov) -0.1750135E+00 Ex_ueg -0.1035900E+00 Ec_ueg -0.1369519E-01 Delta_ex -0.1022619E+00 Delta_ec 0.1905534E-01 Delta_et -0.2628777E+00 Pxc 0.7563968E+01 Qxc -0.5366577E+01 3,-1 166 3 -1 -3.185634 2.206120 2.289610 Rho 0.2291920E+00 |GRAD(Rho)| 0.8328096E-15 GRAD(Rho)x 0.2676353E-15 GRAD(Rho)y -0.3722608E-15 GRAD(Rho)z -0.6952446E-15 Laplacian 0.8572757E+00 (-1/4)Del**2(Rho)) -0.2143189E+00 Diamond 0.2854509E+01 Metallicity 0.6899619E+01 Ellipticity 0.8717105E-02 Gb(Abramov) 0.3893325E+00 Vb(Abramov) -0.5643460E+00 Hb(Abramov) -0.1750135E+00 Ex_ueg -0.1035900E+00 Ec_ueg -0.1369519E-01 Delta_ex -0.1022619E+00 Delta_ec 0.1905534E-01 Delta_et -0.2628777E+00 Pxc 0.7563968E+01 Qxc -0.5366577E+01 3,-1 167 3 -1 0.545395 3.208044 0.687362 Rho 0.1436491E+00 |GRAD(Rho)| 0.8841419E-15 GRAD(Rho)x 0.6059877E-15 GRAD(Rho)y -0.1407091E-15 GRAD(Rho)z 0.6282409E-15 Laplacian 0.6011123E+00 (-1/4)Del**2(Rho)) -0.1502781E+00 Diamond 0.1161267E+01 Metallicity 0.4516782E+01 Ellipticity 0.1345823E-01 Gb(Abramov) 0.2133143E+00 Vb(Abramov) -0.2763505E+00 Hb(Abramov) -0.6303619E-01 Ex_ueg -0.5556342E-01 Ec_ueg -0.8038213E-02 Delta_ex -0.6392351E-01 Delta_ec 0.1550572E-01 Delta_et -0.2053363E+00 Pxc 0.6912410E+01 Qxc -0.4122575E+01 3,-1 168 3 -1 1.805058 2.341468 1.562598 Rho 0.1338957E+00 |GRAD(Rho)| 0.9129899E-16 GRAD(Rho)x 0.9111364E-16 GRAD(Rho)y -0.2317482E-17 GRAD(Rho)z -0.5332919E-17 Laplacian 0.5673519E+00 (-1/4)Del**2(Rho)) -0.1418380E+00 Diamond 0.1003120E+01 Metallicity 0.4256359E+01 Ellipticity 0.8074811E-02 Gb(Abramov) 0.1951775E+00 Vb(Abramov) -0.2485171E+00 Hb(Abramov) -0.5333956E-01 Ex_ueg -0.5059106E-01 Ec_ueg -0.7420719E-02 Delta_ex -0.5926345E-01 Delta_ec 0.1480055E-01 Delta_et -0.1937281E+00 Pxc 0.6817542E+01 Qxc -0.4004138E+01 3,-1 169 3 -1 2.750357 -1.682190 -0.857322 Rho 0.1416684E+00 |GRAD(Rho)| 0.1999587E-14 GRAD(Rho)x 0.7149500E-15 GRAD(Rho)y -0.4019646E-15 GRAD(Rho)z 0.1823628E-14 Laplacian 0.5819939E+00 (-1/4)Del**2(Rho)) -0.1454985E+00 Diamond 0.1111611E+01 Metallicity 0.4558442E+01 Ellipticity 0.7257687E-02 Gb(Abramov) 0.2075400E+00 Vb(Abramov) -0.2695816E+00 Hb(Abramov) -0.6204156E-01 Ex_ueg -0.5454426E-01 Ec_ueg -0.7912324E-02 Delta_ex -0.6174436E-01 Delta_ec 0.1517630E-01 Delta_et -0.2007964E+00 Pxc 0.6893583E+01 Qxc -0.4068472E+01 3,-1 170 3 -1 2.750357 -1.682190 0.857322 Rho 0.1416684E+00 |GRAD(Rho)| 0.1524461E-14 GRAD(Rho)x 0.5819387E-15 GRAD(Rho)y -0.4930511E-15 GRAD(Rho)z -0.1319935E-14 Laplacian 0.5819939E+00 (-1/4)Del**2(Rho)) -0.1454985E+00 Diamond 0.1111611E+01 Metallicity 0.4558442E+01 Ellipticity 0.7257687E-02 Gb(Abramov) 0.2075400E+00 Vb(Abramov) -0.2695816E+00 Hb(Abramov) -0.6204156E-01 Ex_ueg -0.5454426E-01 Ec_ueg -0.7912324E-02 Delta_ex -0.6174436E-01 Delta_ec 0.1517630E-01 Delta_et -0.2007964E+00 Pxc 0.6893583E+01 Qxc -0.4068472E+01 3,-1 171 3 -1 -0.509168 -0.597728 -0.000000 Rho 0.1412534E+00 |GRAD(Rho)| 0.4468534E-14 GRAD(Rho)x 0.4206268E-14 GRAD(Rho)y -0.1508344E-14 GRAD(Rho)z 0.1664385E-17 Laplacian 0.7515803E+00 (-1/4)Del**2(Rho)) -0.1878951E+00 Diamond 0.1701041E+01 Metallicity 0.3512660E+01 Ellipticity 0.3474592E-01 Gb(Abramov) 0.2352653E+00 Vb(Abramov) -0.2826355E+00 Hb(Abramov) -0.4737022E-01 Ex_ueg -0.5433134E-01 Ec_ueg -0.7885980E-02 Delta_ex -0.8259911E-01 Delta_ec 0.2482589E-01 Delta_et -0.3391873E+00 Pxc 0.6889611E+01 Qxc -0.3327136E+01 3,-1 172 3 -1 -0.542352 -0.680596 3.169438 Rho 0.1504787E+00 |GRAD(Rho)| 0.5757989E-15 GRAD(Rho)x 0.7169287E-16 GRAD(Rho)y 0.5341593E-15 GRAD(Rho)z 0.2026780E-15 Laplacian 0.6393029E+00 (-1/4)Del**2(Rho)) -0.1598257E+00 Diamond 0.1297807E+01 Metallicity 0.4588792E+01 Ellipticity 0.2027312E-01 Gb(Abramov) 0.2287850E+00 Vb(Abramov) -0.2977442E+00 Hb(Abramov) -0.6895925E-01 Ex_ueg -0.5911330E-01 Ec_ueg -0.8474167E-02 Delta_ex -0.6868206E-01 Delta_ec 0.1615979E-01 Delta_et -0.2151028E+00 Pxc 0.6975707E+01 Qxc -0.4250182E+01 3,-1 173 3 -1 -2.103112 -2.940727 -1.669932 Rho 0.2304713E+00 |GRAD(Rho)| 0.9787456E-12 GRAD(Rho)x -0.3596321E-12 GRAD(Rho)y 0.9102677E-12 GRAD(Rho)z -0.4502708E-14 Laplacian 0.8833173E+00 (-1/4)Del**2(Rho)) -0.2208293E+00 Diamond 0.2945228E+01 Metallicity 0.6758618E+01 Ellipticity 0.1128217E-01 Gb(Abramov) 0.3959697E+00 Vb(Abramov) -0.5711101E+00 Hb(Abramov) -0.1751404E+00 Ex_ueg -0.1043616E+00 Ec_ueg -0.1378291E-01 Delta_ex -0.1054325E+00 Delta_ec 0.1944426E-01 Delta_et -0.2676387E+00 Pxc 0.7571815E+01 Qxc -0.5422296E+01 3,-1 174 3 -1 -2.103112 -2.940727 1.669932 Rho 0.2304713E+00 |GRAD(Rho)| 0.9785336E-12 GRAD(Rho)x -0.3594856E-12 GRAD(Rho)y 0.9100976E-12 GRAD(Rho)z 0.4507592E-14 Laplacian 0.8833173E+00 (-1/4)Del**2(Rho)) -0.2208293E+00 Diamond 0.2945228E+01 Metallicity 0.6758618E+01 Ellipticity 0.1128217E-01 Gb(Abramov) 0.3959697E+00 Vb(Abramov) -0.5711101E+00 Hb(Abramov) -0.1751404E+00 Ex_ueg -0.1043616E+00 Ec_ueg -0.1378291E-01 Delta_ex -0.1054325E+00 Delta_ec 0.1944426E-01 Delta_et -0.2676387E+00 Pxc 0.7571815E+01 Qxc -0.5422296E+01 3,-1 175 3 -1 -0.058796 0.006682 -4.446285 Rho 0.2328342E+00 |GRAD(Rho)| 0.1689079E-13 GRAD(Rho)x 0.7408001E-14 GRAD(Rho)y -0.4487589E-14 GRAD(Rho)z 0.1450110E-13 Laplacian 0.8799650E+00 (-1/4)Del**2(Rho)) -0.2199913E+00 Diamond 0.2980896E+01 Metallicity 0.6900688E+01 Ellipticity 0.1444023E-02 Gb(Abramov) 0.3996760E+00 Vb(Abramov) -0.5793608E+00 Hb(Abramov) -0.1796848E+00 Ex_ueg -0.1057907E+00 Ec_ueg -0.1394517E-01 Delta_ex -0.1053709E+00 Delta_ec 0.1941744E-01 Delta_et -0.2678227E+00 Pxc 0.7586189E+01 Qxc -0.5426613E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 133 106 172 82 152 131 129 171 130 108 132 158 107 154 153 175 162 167 111 128 127 78 138 170 117 95 139 142 104 118 159 91 157 121 148 163 146 160 124 165 98 96 99 123 174 145 101 97 100 144 173 143 149 164 147 161 126 166 115 119 168 93 156 122 136 169 116 94 135 141 140 155 151 68 65 150 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 18 21 21 22 25 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 20 28 36 24 27 37 2.323037 1.933715 1.910250 1.956487 1.933527 1.754353 1.663987 1.644796 1.663987 1.668336 2.323037 1.910250 1.933715 1.933527 1.956487 1.754353 2.379334 1.931142 1.931142 1.918841 1.918841 1.757658 2.385005 1.935978 1.751160 2.178802 1.988715 1.766923 2.505633 1.937611 1.958523 1.848803 1.954080 1.753626 2.372604 1.815800 1.944857 1.956864 2.025594 1.760657 2.255264 2.220544 1.969283 1.953464 1.757951 1.770550 2.255264 2.220544 1.969283 1.953464 1.757951 1.770550 2.372604 1.815800 1.944857 1.956864 2.025594 1.760657 2.505633 1.937611 1.958523 1.848803 1.954080 1.753626 2.385005 1.935978 1.751160 2.178802 1.988715 1.766923 3.266188 3.032203 3.216038 3.181328 3.181328 3.216038 2.323706 1.934133 1.910613 1.956997 1.934070 1.754363 1.664004 1.644851 1.664004 1.668339 2.323706 1.910615 1.934134 1.934070 1.957030 1.754364 2.380068 1.931502 1.931503 1.919319 1.919319 1.757673 2.385753 1.936352 1.751187 2.179248 1.989231 1.766940 2.506173 1.938002 1.958926 1.849177 1.954560 1.753637 2.373150 1.816158 1.945147 1.957354 2.026066 1.760671 2.256197 2.220732 1.969674 1.953997 1.757963 1.770570 2.256195 2.220911 1.969674 1.953968 1.757964 1.770571 2.373151 1.816160 1.945185 1.957354 2.026066 1.760672 2.506171 1.938002 1.958924 1.849177 1.954595 1.753636 2.385697 1.936353 1.751189 2.179250 1.989230 1.766941 3.268540 3.044827 3.218250 3.184168 3.184168 3.218250 27 23 23 23 27 21 21 20 21 21 27 23 23 27 27 21 27 23 23 24 24 28 32 23 24 25 26 23 29 23 23 23 23 21 27 22 23 25 24 22 27 25 25 24 22 22 28 26 25 23 22 22 27 22 26 24 25 23 29 23 23 23 27 22 27 23 24 25 23 22 35 33 35 35 35 35 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 W Si W W W W W W W 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 O O O O O O O O O O O O O O O O 2.4383 2.4052 2.4383 2.4529 2.3306 2.4153 2.4113 2.3650 2.3650 2.4113 2.4153 2.3306 -1.1611 -1.1161 -1.1611 -1.1592 -0.9178 -0.9951 -0.9178 -0.9764 -0.7813 -0.9712 -0.9824 -0.9694 -0.9694 -0.9824 -0.9712 -0.7813 -0.9652 -1.0152 -0.9652 -0.9975 -0.9877 -0.9970 -0.9942 -0.8264 -0.8264 -0.9942 -0.9970 -0.9877 -0.8353 -0.8718 -0.8353 -0.8515 -0.8718 -0.8439 -0.8572 -0.8721 -0.8721 -0.8572 -0.8439 2.1073 2.3203 2.1073 2.0971 2.1392 2.1082 2.1081 2.1436 2.1436 2.1081 2.1082 2.1392 1.8978 1.8980 1.8978 1.8951 1.9428 1.9301 1.9428 1.9294 1.9652 1.9299 1.9291 1.9300 1.9300 1.9291 1.9299 1.9652 1.9429 1.9378 1.9429 1.9384 1.9374 1.9384 1.9383 1.9529 1.9529 1.9383 1.9384 1.9374 1.9577 1.9522 1.9577 1.9542 1.9522 1.9569 1.9547 1.9504 1.9504 1.9547 1.9569 6.1029 6.6939 6.1029 6.0906 6.1195 6.1040 6.1014 6.1005 6.1005 6.1014 6.1040 6.1195 5.2352 5.1912 5.2352 5.2354 4.9441 5.0349 4.9441 5.0173 4.7810 5.0124 5.0239 5.0096 5.0096 5.0239 5.0124 4.7810 4.9925 5.0449 4.9925 5.0273 5.0189 5.0273 5.0260 4.8413 4.8413 5.0260 5.0273 5.0189 4.8448 4.8887 4.8448 4.8651 4.8887 4.8540 4.8708 4.8912 4.8912 4.8708 4.8540 3.3212 0.5806 3.3212 3.3291 3.3820 3.3427 3.3492 3.3619 3.3619 3.3492 3.3427 3.3820 0.0280 0.0269 0.0280 0.0287 0.0309 0.0300 0.0309 0.0297 0.0351 0.0289 0.0294 0.0299 0.0299 0.0294 0.0289 0.0351 0.0299 0.0325 0.0299 0.0318 0.0314 0.0313 0.0298 0.0322 0.0322 0.0298 0.0313 0.0314 0.0328 0.0309 0.0328 0.0322 0.0309 0.0330 0.0318 0.0305 0.0305 0.0318 0.0330 14.0303 0.0000 14.0303 14.0303 14.0288 14.0298 14.0301 14.0291 14.0291 14.0301 14.0298 14.0288 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W Si W W W W W W W 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 O O O O O O O O O O O O O O O O 2.516544 1.779662 2.516544 2.509600 2.468698 2.499211 2.493399 2.496818 2.496818 2.493399 2.499211 2.468698 -1.059840 -1.017971 -1.059840 -1.065204 -0.951976 -0.991217 -0.951976 -0.982507 -0.846727 -0.987238 -0.977603 -0.981410 -0.981410 -0.977603 -0.987238 -0.846727 -0.979327 -0.987855 -0.979327 -0.988715 -0.982193 -0.984339 -0.993388 -0.880831 -0.880831 -0.993388 -0.984339 -0.982193 -0.879111 -0.926252 -0.879111 -0.901569 -0.926252 -0.889792 -0.907691 -0.924067 -0.924067 -0.907691 -0.889792 1.931732 1.388994 1.931732 1.923331 1.930628 1.922996 1.917141 1.949345 1.949345 1.917141 1.922996 1.930628 -0.725325 -0.718524 -0.725325 -0.724184 -0.740510 -0.727036 -0.740510 -0.734311 -0.737714 -0.732928 -0.717340 -0.730015 -0.730015 -0.717340 -0.732928 -0.737714 -0.837029 -0.814859 -0.837029 -0.819317 -0.814942 -0.816220 -0.838708 -0.793577 -0.793577 -0.838708 -0.816220 -0.814942 -0.797881 -0.853344 -0.797881 -0.822269 -0.853344 -0.807393 -0.825658 -0.859171 -0.859171 -0.825658 -0.807393 2.034477 1.340006 2.034477 2.025812 2.019896 2.032488 2.022995 2.048082 2.048082 2.022995 2.032488 2.019896 -0.791111 -0.775636 -0.791111 -0.792725 -0.801330 -0.822277 -0.801330 -0.830588 -0.746211 -0.816711 -0.811255 -0.806170 -0.806170 -0.811255 -0.816711 -0.746211 -0.855038 -0.856746 -0.855038 -0.862217 -0.846919 -0.860246 -0.871294 -0.781129 -0.781129 -0.871294 -0.860246 -0.846919 -0.761159 -0.825115 -0.761159 -0.788719 -0.825115 -0.773058 -0.788655 -0.840992 -0.840992 -0.788655 -0.773058 2.27103389 1.05735265 0.00000000 2.50511268 -24.28486251 -1.79912100 -0.00000000 16.98076247 -0.00000000 7.30410004 -380.0166 406.3249 -0.6661 -412.9525 -76.5992 -463.9093 Mar11-2024 07:35:15 Nodes: 1 Procs: 1 Mar11-2024 07:35:16 Nodes: 1 Procs: 1 0 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar11-2024 07:35:17 Nodes: 1 Procs: 1 Mar11-2024 07:35:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar11-2024 07:35:20 Nodes: 1 Procs: 24 *** (NO TITLE) *** -8 -17.00558937 -17.03442198 -17.04289148 -17.04580208 -17.04791970 -17.04813291 -17.04834058 -17.04833913 -17.04834523 -17.04830778 -17.04831232 -17.04834072 -17.04835484 GEOMETRY CONVERGED