ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.03 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.02 0.82 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 04:12:39 Nodes: 1 Procs: 1 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 04:12:39 Nodes: 1 Procs: 1 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Apr26-2024 04:12:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:41 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.05 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 04:12:39 Nodes: 1 Procs: 1 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Apr26-2024 04:12:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr26-2024 04:12:41 Nodes: 1 Procs: 1 Apr26-2024 04:12:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr26-2024 04:12:44 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1877.9133609999976 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1.274238 -1.294576 -3.060718 1.339610 0.075561 1.728182 -2.954424 -1.797469 -0.203368 3.212699 2.957672 1.347469 -1.362597 -2.156232 2.151088 -1.550008 3.240260 -0.883867 -0.028644 -2.151603 2.160817 1.555672 0.970475 -3.340513 -0.012230 0.082187 1.770078 2.975419 -1.271823 -3.079221 -1.366003 2.915400 1.292612 1.296931 -1.854186 -0.220886 -3.203671 2.024188 -0.137992 -3.414243 -0.945313 4.386395 -2.796551 1.361161 3.501742 -1.348381 0.179060 -2.052777 3.502495 2.440345 -2.409355 -2.074858 -0.873443 3.948940 -0.003618 2.421213 -2.426694 2.044616 0.646741 -4.671040 2.536175 2.027920 -0.102914 3.398518 0.150274 -2.075496 -3.449629 1.360750 3.513548 1.338394 0.809414 -4.652958 -2.534097 4.656411 -0.666531 -2.529687 -0.947841 4.411450 2.787096 4.612093 -0.734893 2.486400 -0.151653 -0.104532 -3.584207 -0.096572 -0.082886 3.620178 0.402017 -3.070245 1.880445 3.027662 -0.559109 -1.928775 -0.165565 -0.002147 0.003602 -2.087247 1.271541 1.080231 -2.096384 1.268351 -1.064877 -1.408658 -2.993650 -0.376268 1 3 -3 0.612839 -3.053598 -1.858159 Rho 0.4361415E+07 3,-3 2 3 -3 -0.483463 3.108994 1.727787 Rho 0.4361415E+07 3,-3 3 3 -3 2.964859 -0.662092 1.895807 Rho 0.4361415E+07 3,-3 4 3 -3 2.481424 2.563207 0.005412 Rho 0.4361414E+07 3,-3 5 3 -3 -0.485438 3.101489 -1.713522 Rho 0.4361415E+07 3,-3 6 3 -3 -0.113810 0.103280 -5.320625 Rho 0.3193660E+03 3,-3 7 3 -3 3.867717 3.624116 0.025473 Rho 0.3192803E+03 3,-3 8 3 -3 -0.082704 0.141503 5.354619 Rho 0.3193652E+03 3,-3 9 3 -3 0.470617 -0.669189 -1.271872 Rho 0.3188004E+03 3,-3 10 3 -3 -1.697562 -0.005824 0.013424 Rho 0.3189188E+03 3,-3 11 3 -3 0.284004 1.541107 -0.004092 Rho 0.3187657E+03 3,-3 12 3 -3 0.488979 -0.659514 1.274238 Rho 0.3188061E+03 3,-3 13 3 -3 -1.294576 -3.060718 1.339610 Rho 0.3193117E+03 3,-3 14 3 -3 0.075561 1.728182 -2.954424 Rho 0.3189028E+03 3,-3 15 3 -3 -1.797469 -0.203368 3.212699 Rho 0.3194167E+03 3,-3 16 3 -3 2.957672 1.347469 -1.362597 Rho 0.3189288E+03 3,-3 17 3 -3 -2.156232 2.151088 -1.550008 Rho 0.3187359E+03 3,-3 18 3 -3 3.240260 -0.883867 -0.028644 Rho 0.3189327E+03 3,-3 19 3 -3 -2.151603 2.160817 1.555672 Rho 0.3187377E+03 3,-3 20 3 -3 0.970475 -3.340513 -0.012230 Rho 0.3189216E+03 3,-3 21 3 -3 0.082187 1.770078 2.975419 Rho 0.3189035E+03 3,-3 22 3 -3 -1.271823 -3.079221 -1.366003 Rho 0.3187171E+03 3,-3 23 3 -3 2.915400 1.292612 1.296931 Rho 0.3189136E+03 3,-3 24 3 -3 -1.854186 -0.220886 -3.203671 Rho 0.3194270E+03 3,-3 25 3 -3 2.024188 -0.137992 -3.414243 Rho 0.3191505E+03 3,-3 26 3 -3 -0.945313 4.386395 -2.796551 Rho 0.3192918E+03 3,-3 27 3 -3 1.361161 3.501742 -1.348381 Rho 0.3189421E+03 3,-3 28 3 -3 0.179060 -2.052777 3.502495 Rho 0.3190230E+03 3,-3 29 3 -3 2.440345 -2.409355 -2.074858 Rho 0.3189849E+03 3,-3 30 3 -3 -0.873443 3.948940 -0.003618 Rho 0.3189389E+03 3,-3 31 3 -3 2.421213 -2.426694 2.044616 Rho 0.3190215E+03 3,-3 32 3 -3 0.646741 -4.671040 2.536175 Rho 0.3193701E+03 3,-3 33 3 -3 2.027920 -0.102914 3.398518 Rho 0.3190231E+03 3,-3 34 3 -3 0.150274 -2.075496 -3.449629 Rho 0.3189788E+03 3,-3 35 3 -3 1.360750 3.513548 1.338394 Rho 0.3189366E+03 3,-3 36 3 -3 0.809414 -4.652958 -2.534097 Rho 0.3192710E+03 3,-3 37 3 -3 4.656411 -0.666531 -2.529687 Rho 0.3193940E+03 3,-3 38 3 -3 -0.947841 4.411450 2.787096 Rho 0.3192931E+03 3,-3 39 3 -3 4.612093 -0.734893 2.486400 Rho 0.3192498E+03 3,-3 40 3 -3 -0.151653 -0.104532 -3.584207 Rho 0.1240649E+06 3,-3 41 3 -3 -0.096572 -0.082886 3.620178 Rho 0.1240648E+06 3,-3 42 3 -3 0.402017 -3.070245 1.880445 Rho 0.1240649E+06 3,-3 43 3 -3 3.027662 -0.559109 -1.928775 Rho 0.1240650E+06 3,-3 44 3 -3 -0.165565 -0.002147 0.003602 Rho 0.2439614E+04 3,-3 45 3 -3 -2.087247 1.271541 1.080231 Rho 0.4250335E+00 3,-3 46 3 -3 -2.096384 1.268351 -1.064877 Rho 0.4266535E+00 3,-3 47 3 -3 -1.408658 -2.993650 -0.376268 Rho 0.4377565E+00 3,-3 48 3 +3 -1.000498 0.636280 -1.728992 Rho 0.4675516E-02 |GRAD(Rho)| 0.3762447E-17 GRAD(Rho)x 0.2017872E-17 GRAD(Rho)y 0.2844522E-17 GRAD(Rho)z 0.1411701E-17 Laplacian 0.1894615E-01 (-1/4)Del**2(Rho)) -0.4736537E-02 Diamond 0.1427809E-03 Metallicity 0.4754901E+00 Ellipticity -0.5723115E+00 Gb(Abramov) 0.3533054E-02 Vb(Abramov) -0.2329571E-02 Hb(Abramov) 0.1203483E-02 Ex_ueg -0.5774191E-03 Ec_ueg -0.1329758E-03 Delta_ex -0.6649492E-03 Delta_ec 0.1235003E-03 Delta_et -0.8499032E-03 Pxc 0.4342288E+01 Qxc -0.5384192E+01 3,+3 49 3 +3 -0.957585 0.668361 1.740273 Rho 0.4605359E-02 |GRAD(Rho)| 0.1542550E-13 GRAD(Rho)x -0.7534602E-14 GRAD(Rho)y 0.1342776E-13 GRAD(Rho)z 0.9333204E-15 Laplacian 0.1873452E-01 (-1/4)Del**2(Rho)) -0.4683631E-02 Diamond 0.1364098E-03 Metallicity 0.4688958E+00 Ellipticity -0.5445773E+00 Gb(Abramov) 0.3488443E-02 Vb(Abramov) -0.2293255E-02 Hb(Abramov) 0.1195188E-02 Ex_ueg -0.5658957E-03 Ec_ueg -0.1299695E-03 Delta_ex -0.6529078E-03 Delta_ec 0.1186102E-03 Delta_et -0.8205544E-03 Pxc 0.4354065E+01 Qxc -0.5504651E+01 3,+3 50 3 +1 -1.070755 1.408215 -0.692003 Rho 0.1286590E-01 |GRAD(Rho)| 0.9398371E-14 GRAD(Rho)x -0.6127673E-14 GRAD(Rho)y -0.7125093E-14 GRAD(Rho)z 0.1184963E-15 Laplacian 0.5509677E-01 (-1/4)Del**2(Rho)) -0.1377419E-01 Diamond 0.2636800E-02 Metallicity 0.8835289E+00 Ellipticity -0.1555129E+01 Gb(Abramov) 0.1121111E-01 Vb(Abramov) -0.8648030E-02 Hb(Abramov) 0.2563081E-02 Ex_ueg -0.2226582E-02 Ec_ueg -0.4996882E-03 Delta_ex -0.2813284E-02 Delta_ec 0.8127540E-03 Delta_et -0.6126580E-02 Pxc 0.4455943E+01 Qxc -0.3461422E+01 3,+1 51 3 +3 -1.456429 2.000295 0.003844 Rho 0.6745841E-02 |GRAD(Rho)| 0.1164522E-16 GRAD(Rho)x 0.4497974E-17 GRAD(Rho)y -0.3159450E-18 GRAD(Rho)z -0.1073684E-16 Laplacian 0.2937066E-01 (-1/4)Del**2(Rho)) -0.7342666E-02 Diamond 0.4057844E-03 Metallicity 0.5650579E+00 Ellipticity -0.6000205E+00 Gb(Abramov) 0.5586616E-02 Vb(Abramov) -0.3830566E-02 Hb(Abramov) 0.1756050E-02 Ex_ueg -0.9413834E-03 Ec_ueg -0.2228002E-03 Delta_ex -0.1163565E-02 Delta_ec 0.2364031E-03 Delta_et -0.1670070E-02 Pxc 0.4225236E+01 Qxc -0.4921952E+01 3,+3 52 3 +1 -1.063992 1.418120 0.699278 Rho 0.1279672E-01 |GRAD(Rho)| 0.1753338E-16 GRAD(Rho)x -0.1715939E-16 GRAD(Rho)y -0.3319634E-17 GRAD(Rho)z -0.1398119E-17 Laplacian 0.5475385E-01 (-1/4)Del**2(Rho)) -0.1368846E-01 Diamond 0.2616192E-02 Metallicity 0.8811092E+00 Ellipticity -0.1561773E+01 Gb(Abramov) 0.1113581E-01 Vb(Abramov) -0.8583163E-02 Hb(Abramov) 0.2552649E-02 Ex_ueg -0.2210633E-02 Ec_ueg -0.4964722E-03 Delta_ex -0.2795859E-02 Delta_ec 0.8148386E-03 Delta_et -0.6129266E-02 Pxc 0.4452682E+01 Qxc -0.3431181E+01 3,+1 53 3 -1 -1.924448 0.934056 2.342322 Rho 0.1032064E-01 |GRAD(Rho)| 0.1132056E-16 GRAD(Rho)x -0.5879206E-17 GRAD(Rho)y -0.4175833E-17 GRAD(Rho)z 0.8726542E-17 Laplacian 0.4173471E-01 (-1/4)Del**2(Rho)) -0.1043368E-01 Diamond 0.3140287E-02 Metallicity 0.8077812E+00 Ellipticity 0.2344986E+00 Gb(Abramov) 0.8360473E-02 Vb(Abramov) -0.6287269E-02 Hb(Abramov) 0.2073204E-02 Ex_ueg -0.1659564E-02 Ec_ueg -0.3826099E-03 Delta_ex -0.2600836E-02 Delta_ec 0.1664564E-02 Delta_et -0.1110016E-01 Pxc 0.4337485E+01 Qxc -0.1562473E+01 3,-1 54 3 +1 -1.442402 1.127730 -2.487871 Rho 0.8572988E-02 |GRAD(Rho)| 0.7613748E-17 GRAD(Rho)x -0.6290406E-17 GRAD(Rho)y 0.3139615E-17 GRAD(Rho)z 0.2922801E-17 Laplacian 0.3882482E-01 (-1/4)Del**2(Rho)) -0.9706205E-02 Diamond 0.1215522E-02 Metallicity 0.6373687E+00 Ellipticity -0.1451819E+01 Gb(Abramov) 0.7501875E-02 Vb(Abramov) -0.5297545E-02 Hb(Abramov) 0.2204330E-02 Ex_ueg -0.1295870E-02 Ec_ueg -0.3037717E-03 Delta_ex -0.1854139E-02 Delta_ec 0.6925216E-03 Delta_et -0.4610641E-02 Pxc 0.4265933E+01 Qxc -0.2677374E+01 3,+1 55 3 +1 -1.418207 1.149308 2.499510 Rho 0.8491237E-02 |GRAD(Rho)| 0.1195067E-16 GRAD(Rho)x -0.5037066E-17 GRAD(Rho)y -0.1081420E-16 GRAD(Rho)z 0.7068573E-18 Laplacian 0.3877210E-01 (-1/4)Del**2(Rho)) -0.9693024E-02 Diamond 0.1197682E-02 Metallicity 0.6281242E+00 Ellipticity -0.1437638E+01 Gb(Abramov) 0.7476753E-02 Vb(Abramov) -0.5260482E-02 Hb(Abramov) 0.2216271E-02 Ex_ueg -0.1279420E-02 Ec_ueg -0.3001164E-03 Delta_ex -0.1847111E-02 Delta_ec 0.6911782E-03 Delta_et -0.4589989E-02 Pxc 0.4263078E+01 Qxc -0.2672409E+01 3,+1 56 3 -1 -1.358479 2.575780 -1.608839 Rho 0.1501594E+00 |GRAD(Rho)| 0.4141548E-16 GRAD(Rho)x 0.1233280E-16 GRAD(Rho)y 0.2263272E-16 GRAD(Rho)z -0.3241764E-16 Laplacian 0.5730669E+00 (-1/4)Del**2(Rho)) -0.1432667E+00 Diamond 0.1180136E+01 Metallicity 0.5101078E+01 Ellipticity 0.9487373E-01 Gb(Abramov) 0.2173136E+00 Vb(Abramov) -0.2913605E+00 Hb(Abramov) -0.7404688E-01 Ex_ueg -0.5894609E-01 Ec_ueg -0.8453718E-02 Delta_ex -0.6173047E-01 Delta_ec 0.1484403E-01 Delta_et -0.1983437E+00 Pxc 0.6972801E+01 Qxc -0.4158607E+01 3,-1 57 3 -1 -0.684985 3.535088 -0.796429 Rho 0.1414857E+00 |GRAD(Rho)| 0.2060007E-15 GRAD(Rho)x -0.2234473E-16 GRAD(Rho)y -0.1209021E-15 GRAD(Rho)z 0.1652866E-15 Laplacian 0.5563736E+00 (-1/4)Del**2(Rho)) -0.1390934E+00 Diamond 0.1054005E+01 Metallicity 0.4758107E+01 Ellipticity 0.3508837E-01 Gb(Abramov) 0.2030325E+00 Vb(Abramov) -0.2669716E+00 Hb(Abramov) -0.6393908E-01 Ex_ueg -0.5445049E-01 Ec_ueg -0.7900723E-02 Delta_ex -0.5893210E-01 Delta_ec 0.1437769E-01 Delta_et -0.1899107E+00 Pxc 0.6891836E+01 Qxc -0.4098856E+01 3,-1 58 3 +1 -1.788073 2.399989 0.002575 Rho 0.7368114E-02 |GRAD(Rho)| 0.1201661E-16 GRAD(Rho)x 0.4360180E-17 GRAD(Rho)y 0.3470304E-17 GRAD(Rho)z -0.1064635E-16 Laplacian 0.3201116E-01 (-1/4)Del**2(Rho)) -0.8002791E-02 Diamond 0.8722225E-03 Metallicity 0.6005819E+00 Ellipticity -0.1488556E+01 Gb(Abramov) 0.6136249E-02 Vb(Abramov) -0.4269708E-02 Hb(Abramov) 0.1866542E-02 Ex_ueg -0.1058913E-02 Ec_ueg -0.2502039E-03 Delta_ex -0.1505308E-02 Delta_ec 0.6265785E-03 Delta_et -0.3965686E-02 Pxc 0.4232199E+01 Qxc -0.2402425E+01 3,+1 59 3 -1 -0.683392 3.537697 0.800356 Rho 0.1358297E+00 |GRAD(Rho)| 0.4134931E-15 GRAD(Rho)x -0.1186388E-15 GRAD(Rho)y 0.5533497E-16 GRAD(Rho)z -0.3922237E-15 Laplacian 0.5357111E+00 (-1/4)Del**2(Rho)) -0.1339278E+00 Diamond 0.9653547E+00 Metallicity 0.4616791E+01 Ellipticity 0.3201093E-01 Gb(Abramov) 0.1923379E+00 Vb(Abramov) -0.2507481E+00 Hb(Abramov) -0.5841016E-01 Ex_ueg -0.5156771E-01 Ec_ueg -0.7542675E-02 Delta_ex -0.5617269E-01 Delta_ec 0.1396176E-01 Delta_et -0.1832293E+00 Pxc 0.6836794E+01 Qxc -0.4023325E+01 3,-1 60 3 -1 -0.733938 3.796012 -2.298251 Rho 0.2404051E+00 |GRAD(Rho)| 0.1223955E-14 GRAD(Rho)x 0.3176983E-15 GRAD(Rho)y -0.8467619E-15 GRAD(Rho)z 0.8246984E-15 Laplacian 0.8857700E+00 (-1/4)Del**2(Rho)) -0.2214425E+00 Diamond 0.3128648E+01 Metallicity 0.7230998E+01 Ellipticity 0.4168901E-02 Gb(Abramov) 0.4145033E+00 Vb(Abramov) -0.6075642E+00 Hb(Abramov) -0.1930609E+00 Ex_ueg -0.1104019E+00 Ec_ueg -0.1446712E-01 Delta_ex -0.1070108E+00 Delta_ec 0.1945870E-01 Delta_et -0.2691144E+00 Pxc 0.7631229E+01 Qxc -0.5499380E+01 3,-1 61 3 +3 0.545578 3.154789 0.000105 Rho 0.1251482E-01 |GRAD(Rho)| 0.1295339E-16 GRAD(Rho)x -0.9188534E-17 GRAD(Rho)y -0.3685646E-17 GRAD(Rho)z -0.8353277E-17 Laplacian 0.5753914E-01 (-1/4)Del**2(Rho)) -0.1438479E-01 Diamond 0.1314031E-02 Metallicity 0.8078993E+00 Ellipticity -0.6851851E+00 Gb(Abramov) 0.1152677E-01 Vb(Abramov) -0.8668748E-02 Hb(Abramov) 0.2858019E-02 Ex_ueg -0.2145941E-02 Ec_ueg -0.4833866E-03 Delta_ex -0.2551564E-02 Delta_ec 0.1964090E-03 Delta_et -0.1901225E-02 Pxc 0.4439388E+01 Qxc -0.1299108E+02 3,+3 62 3 -1 -0.734468 3.813137 2.299750 Rho 0.2406781E+00 |GRAD(Rho)| 0.1125655E-15 GRAD(Rho)x 0.3407105E-16 GRAD(Rho)y 0.1006140E-15 GRAD(Rho)z -0.3724234E-16 Laplacian 0.8836615E+00 (-1/4)Del**2(Rho)) -0.2209154E+00 Diamond 0.3128078E+01 Metallicity 0.7261978E+01 Ellipticity 0.4538568E-02 Gb(Abramov) 0.4146573E+00 Vb(Abramov) -0.6083993E+00 Hb(Abramov) -0.1937420E+00 Ex_ueg -0.1105691E+00 Ec_ueg -0.1448600E-01 Delta_ex -0.1068016E+00 Delta_ec 0.1943053E-01 Delta_et -0.2688445E+00 Pxc 0.7632825E+01 Qxc -0.5496585E+01 3,-1 63 3 +1 0.597784 3.437627 -0.002174 Rho 0.1281600E-01 |GRAD(Rho)| 0.2135761E-16 GRAD(Rho)x 0.1132986E-16 GRAD(Rho)y -0.7066773E-17 GRAD(Rho)z 0.1666860E-16 Laplacian 0.6084726E-01 (-1/4)Del**2(Rho)) -0.1521181E-01 Diamond 0.2195680E-02 Metallicity 0.7948644E+00 Ellipticity -0.1158825E+01 Gb(Abramov) 0.1215643E-01 Vb(Abramov) -0.9101048E-02 Hb(Abramov) 0.3055383E-02 Ex_ueg -0.2215075E-02 Ec_ueg -0.4973683E-03 Delta_ex -0.2918246E-02 Delta_ec 0.5663427E-03 Delta_et -0.4480753E-02 Pxc 0.4453591E+01 Qxc -0.5152791E+01 3,+1 64 3 -1 -0.104195 2.276562 -0.842059 Rho 0.4353695E-01 |GRAD(Rho)| 0.2073513E-15 GRAD(Rho)x 0.4811857E-16 GRAD(Rho)y -0.1128904E-15 GRAD(Rho)z -0.1671374E-15 Laplacian 0.1664842E+00 (-1/4)Del**2(Rho)) -0.4162106E-01 Diamond 0.6819736E-01 Metallicity 0.2230163E+01 Ellipticity 0.1855036E-01 Gb(Abramov) 0.4321766E-01 Vb(Abramov) -0.4481427E-01 Hb(Abramov) -0.1596606E-02 Ex_ueg -0.1131173E-01 Ec_ueg -0.2060864E-02 Delta_ex -0.1314744E-01 Delta_ec 0.4806196E-02 Delta_et -0.4883492E-01 Pxc 0.5488827E+01 Qxc -0.2735519E+01 3,-1 65 3 +1 0.116493 0.934244 -1.568341 Rho 0.8731550E-02 |GRAD(Rho)| 0.3830232E-16 GRAD(Rho)x 0.3203237E-16 GRAD(Rho)y 0.7636512E-17 GRAD(Rho)z -0.1956218E-16 Laplacian 0.3631993E-01 (-1/4)Del**2(Rho)) -0.9079982E-02 Diamond 0.1020397E-02 Metallicity 0.7024581E+00 Ellipticity -0.1410034E+01 Gb(Abramov) 0.7116373E-02 Vb(Abramov) -0.5152763E-02 Hb(Abramov) 0.1963610E-02 Ex_ueg -0.1327925E-02 Ec_ueg -0.3108699E-03 Delta_ex -0.1678040E-02 Delta_ec 0.5332393E-03 Delta_et -0.3640997E-02 Pxc 0.4271642E+01 Qxc -0.3146880E+01 3,+1 66 3 -1 0.019138 0.617655 0.000220 Rho 0.1820059E+00 |GRAD(Rho)| 0.1144780E-15 GRAD(Rho)x -0.3283254E-16 GRAD(Rho)y 0.1096501E-15 GRAD(Rho)z -0.2024622E-17 Laplacian 0.5269865E+00 (-1/4)Del**2(Rho)) -0.1317466E+00 Diamond 0.1499312E+01 Metallicity 0.7643447E+01 Ellipticity 0.2724313E-02 Gb(Abramov) 0.2556642E+00 Vb(Abramov) -0.3795817E+00 Hb(Abramov) -0.1239175E+00 Ex_ueg -0.7617846E-01 Ec_ueg -0.1052295E-01 Delta_ex -0.6055582E-01 Delta_ec 0.1481572E-01 Delta_et -0.2082518E+00 Pxc 0.7239268E+01 Qxc -0.4087267E+01 3,-1 67 3 +1 0.123489 0.950474 1.586641 Rho 0.8320154E-02 |GRAD(Rho)| 0.3367406E-16 GRAD(Rho)x -0.2158348E-16 GRAD(Rho)y 0.2244915E-16 GRAD(Rho)z -0.1281138E-16 Laplacian 0.3420578E-01 (-1/4)Del**2(Rho)) -0.8551445E-02 Diamond 0.9098836E-03 Metallicity 0.6882284E+00 Ellipticity -0.1415585E+01 Gb(Abramov) 0.6681855E-02 Vb(Abramov) -0.4812264E-02 Hb(Abramov) 0.1869590E-02 Ex_ueg -0.1245165E-02 Ec_ueg -0.2924765E-03 Delta_ex -0.1566047E-02 Delta_ec 0.5106213E-03 Delta_et -0.3436448E-02 Pxc 0.4257316E+01 Qxc -0.3066943E+01 3,+1 68 3 -1 -0.005982 0.886710 3.266280 Rho 0.1223551E+00 |GRAD(Rho)| 0.8021331E-13 GRAD(Rho)x -0.7081830E-14 GRAD(Rho)y -0.7254059E-13 GRAD(Rho)z 0.3349456E-13 Laplacian 0.5034518E+00 (-1/4)Del**2(Rho)) -0.1258629E+00 Diamond 0.7979386E+00 Metallicity 0.4127546E+01 Ellipticity 0.2336218E-02 Gb(Abramov) 0.1704928E+00 Vb(Abramov) -0.2151227E+00 Hb(Abramov) -0.4462988E-01 Ex_ueg -0.4486225E-01 Ec_ueg -0.6698113E-02 Delta_ex -0.5144988E-01 Delta_ec 0.1339897E-01 Delta_et -0.1727664E+00 Pxc 0.6697745E+01 Qxc -0.3839839E+01 3,-1 69 3 -1 -0.036432 0.855657 -3.237430 Rho 0.1284323E+00 |GRAD(Rho)| 0.4308561E-16 GRAD(Rho)x 0.9666340E-17 GRAD(Rho)y 0.1355253E-17 GRAD(Rho)z 0.4196540E-16 Laplacian 0.5260430E+00 (-1/4)Del**2(Rho)) -0.1315108E+00 Diamond 0.8817342E+00 Metallicity 0.4282681E+01 Ellipticity 0.5652722E-02 Gb(Abramov) 0.1815436E+00 Vb(Abramov) -0.2315765E+00 Hb(Abramov) -0.5003286E-01 Ex_ueg -0.4785759E-01 Ec_ueg -0.7077525E-02 Delta_ex -0.5436271E-01 Delta_ec 0.1379617E-01 Delta_et -0.1792570E+00 Pxc 0.6761910E+01 Qxc -0.3940420E+01 3,-1 70 3 +1 -0.309101 2.704599 0.034955 Rho 0.2514515E-01 |GRAD(Rho)| 0.5298590E-16 GRAD(Rho)x -0.3445678E-16 GRAD(Rho)y 0.3802639E-16 GRAD(Rho)z 0.1319959E-16 Laplacian 0.9502039E-01 (-1/4)Del**2(Rho)) -0.2375510E-01 Diamond 0.1244133E-01 Metallicity 0.1565141E+01 Ellipticity -0.4133714E+01 Gb(Abramov) 0.2203341E-01 Vb(Abramov) -0.2031173E-01 Hb(Abramov) 0.1721685E-02 Ex_ueg -0.5440734E-02 Ec_ueg -0.1096025E-02 Delta_ex -0.5909662E-02 Delta_ec 0.1595929E-02 Delta_et -0.1411128E-01 Pxc 0.4964059E+01 Qxc -0.3702960E+01 3,+1 71 3 -1 -0.103067 2.281785 0.845030 Rho 0.4169204E-01 |GRAD(Rho)| 0.2126617E-15 GRAD(Rho)x -0.2540654E-16 GRAD(Rho)y 0.1285167E-15 GRAD(Rho)z 0.1675200E-15 Laplacian 0.1579550E+00 (-1/4)Del**2(Rho)) -0.3948875E-01 Diamond 0.6074860E-01 Metallicity 0.2186930E+01 Ellipticity 0.1994655E-01 Gb(Abramov) 0.4071903E-01 Vb(Abramov) -0.4194930E-01 Hb(Abramov) -0.1230275E-02 Ex_ueg -0.1067716E-01 Ec_ueg -0.1961068E-02 Delta_ex -0.1232534E-01 Delta_ec 0.4536456E-02 Delta_et -0.4556434E-01 Pxc 0.5444565E+01 Qxc -0.2716953E+01 3,-1 72 3 -1 -0.195258 2.357722 -2.362697 Rho 0.1426364E+00 |GRAD(Rho)| 0.3102810E-15 GRAD(Rho)x -0.6678685E-16 GRAD(Rho)y 0.2756991E-15 GRAD(Rho)z 0.1257132E-15 Laplacian 0.5901523E+00 (-1/4)Del**2(Rho)) -0.1475381E+00 Diamond 0.1125336E+01 Metallicity 0.4546737E+01 Ellipticity 0.1611090E-01 Gb(Abramov) 0.2101615E+00 Vb(Abramov) -0.2727850E+00 Hb(Abramov) -0.6262345E-01 Ex_ueg -0.5504176E-01 Ec_ueg -0.7973818E-02 Delta_ex -0.6259533E-01 Delta_ec 0.1515217E-01 Delta_et -0.2002367E+00 Pxc 0.6902811E+01 Qxc -0.4131114E+01 3,-1 73 3 +3 1.193327 1.067923 -1.688029 Rho 0.3987501E-02 |GRAD(Rho)| 0.1997433E-14 GRAD(Rho)x -0.1147517E-14 GRAD(Rho)y 0.4464784E-15 GRAD(Rho)z 0.1572769E-14 Laplacian 0.1650731E-01 (-1/4)Del**2(Rho)) -0.4126828E-02 Diamond 0.1199448E-03 Metallicity 0.4185732E+00 Ellipticity -0.3534200E+00 Gb(Abramov) 0.3039115E-02 Vb(Abramov) -0.1951402E-02 Hb(Abramov) 0.1087713E-02 Ex_ueg -0.4670027E-03 Ec_ueg -0.1036045E-03 Delta_ex -0.5802158E-03 Delta_ec 0.1519251E-03 Delta_et -0.9222793E-03 Pxc 0.4507554E+01 Qxc -0.3819091E+01 3,+3 74 3 +1 1.611005 -1.289078 -1.664297 Rho 0.1978535E-01 |GRAD(Rho)| 0.2976588E-16 GRAD(Rho)x 0.4369921E-17 GRAD(Rho)y -0.2919429E-16 GRAD(Rho)z -0.3821681E-17 Laplacian 0.7381893E-01 (-1/4)Del**2(Rho)) -0.1845473E-01 Diamond 0.6582042E-02 Metallicity 0.1351092E+01 Ellipticity -0.2570594E+01 Gb(Abramov) 0.1645883E-01 Vb(Abramov) -0.1446292E-01 Hb(Abramov) 0.1995904E-02 Ex_ueg -0.3952240E-02 Ec_ueg -0.8299302E-03 Delta_ex -0.4253340E-02 Delta_ec 0.1142244E-02 Delta_et -0.9554474E-02 Pxc 0.4762136E+01 Qxc -0.3723671E+01 3,+1 75 3 +1 1.491691 0.662366 -0.907375 Rho 0.6692461E-02 |GRAD(Rho)| 0.3900222E-16 GRAD(Rho)x -0.2950435E-16 GRAD(Rho)y 0.1328954E-16 GRAD(Rho)z 0.2177280E-16 Laplacian 0.2682543E-01 (-1/4)Del**2(Rho)) -0.6706357E-02 Diamond 0.5467387E-03 Metallicity 0.6105337E+00 Ellipticity -0.1392099E+01 Gb(Abramov) 0.5153314E-02 Vb(Abramov) -0.3600271E-02 Hb(Abramov) 0.1553043E-02 Ex_ueg -0.9314643E-03 Ec_ueg -0.2204579E-03 Delta_ex -0.1173855E-02 Delta_ec 0.4183599E-03 Delta_et -0.2644140E-02 Pxc 0.4225134E+01 Qxc -0.2805850E+01 3,+1 76 3 +1 1.459999 0.662105 0.868994 Rho 0.7467652E-02 |GRAD(Rho)| 0.2442839E-16 GRAD(Rho)x 0.1875445E-16 GRAD(Rho)y 0.1552311E-16 GRAD(Rho)z 0.2012420E-17 Laplacian 0.3084072E-01 (-1/4)Del**2(Rho)) -0.7710181E-02 Diamond 0.7218668E-03 Metallicity 0.6374733E+00 Ellipticity -0.1392209E+01 Gb(Abramov) 0.5959293E-02 Vb(Abramov) -0.4208405E-02 Hb(Abramov) 0.1750888E-02 Ex_ueg -0.1078029E-02 Ec_ueg -0.2546042E-03 Delta_ex -0.1381999E-02 Delta_ec 0.4736590E-03 Delta_et -0.3087991E-02 Pxc 0.4234137E+01 Qxc -0.2917709E+01 3,+1 77 3 +1 0.275583 -1.227134 2.422769 Rho 0.2324661E-01 |GRAD(Rho)| 0.6365139E-16 GRAD(Rho)x -0.2049983E-17 GRAD(Rho)y -0.2499188E-16 GRAD(Rho)z 0.5850386E-16 Laplacian 0.9222103E-01 (-1/4)Del**2(Rho)) -0.2305526E-01 Diamond 0.1208899E-01 Metallicity 0.1414868E+01 Ellipticity -0.6527791E+01 Gb(Abramov) 0.2080686E-01 Vb(Abramov) -0.1855847E-01 Hb(Abramov) 0.2248395E-02 Ex_ueg -0.4900021E-02 Ec_ueg -0.1000845E-02 Delta_ex -0.5766322E-02 Delta_ec 0.1816190E-02 Delta_et -0.1567697E-01 Pxc 0.4895882E+01 Qxc -0.3174955E+01 3,+1 78 3 +1 1.494653 1.370123 2.174519 Rho 0.4800244E-02 |GRAD(Rho)| 0.2341126E-17 GRAD(Rho)x 0.9596533E-18 GRAD(Rho)y 0.9887217E-19 GRAD(Rho)z -0.2133110E-17 Laplacian 0.1960676E-01 (-1/4)Del**2(Rho)) -0.4901689E-02 Diamond 0.4390081E-03 Metallicity 0.4800793E+00 Ellipticity -0.2906858E+01 Gb(Abramov) 0.3659993E-02 Vb(Abramov) -0.2418296E-02 Hb(Abramov) 0.1241696E-02 Ex_ueg -0.5980482E-03 Ec_ueg -0.1383267E-03 Delta_ex -0.9732532E-03 Delta_ec 0.6281837E-03 Delta_et -0.3365653E-02 Pxc 0.4323449E+01 Qxc -0.1549313E+01 3,+1 79 3 +1 1.521957 1.327814 -2.223505 Rho 0.4861066E-02 |GRAD(Rho)| 0.7186506E-17 GRAD(Rho)x -0.5083946E-17 GRAD(Rho)y 0.1980288E-17 GRAD(Rho)z -0.4677374E-17 Laplacian 0.1993682E-01 (-1/4)Del**2(Rho)) -0.4984204E-02 Diamond 0.4413575E-03 Metallicity 0.4821437E+00 Ellipticity -0.2501836E+01 Gb(Abramov) 0.3723320E-02 Vb(Abramov) -0.2462436E-02 Hb(Abramov) 0.1260884E-02 Ex_ueg -0.6081729E-03 Ec_ueg -0.1409388E-03 Delta_ex -0.9798123E-03 Delta_ec 0.6169695E-03 Delta_et -0.3326808E-02 Pxc 0.4315156E+01 Qxc -0.1588105E+01 3,+1 80 3 +3 1.167051 1.095668 1.700796 Rho 0.4051449E-02 |GRAD(Rho)| 0.3627511E-14 GRAD(Rho)x -0.1124849E-14 GRAD(Rho)y -0.3375103E-14 GRAD(Rho)z -0.7086816E-15 Laplacian 0.1687733E-01 (-1/4)Del**2(Rho)) -0.4219333E-02 Diamond 0.1291054E-03 Metallicity 0.4203973E+00 Ellipticity -0.3299569E+00 Gb(Abramov) 0.3108521E-02 Vb(Abramov) -0.1997710E-02 Hb(Abramov) 0.1110812E-02 Ex_ueg -0.4770152E-03 Ec_ueg -0.1063240E-03 Delta_ex -0.6002808E-03 Delta_ec 0.1636691E-03 Delta_et -0.9856772E-03 Pxc 0.4486431E+01 Qxc -0.3667650E+01 3,+3 81 3 -1 1.355833 2.011330 -0.000291 Rho 0.4418245E-01 |GRAD(Rho)| 0.4224944E-16 GRAD(Rho)x -0.3951239E-16 GRAD(Rho)y -0.1473562E-16 GRAD(Rho)z 0.2578208E-17 Laplacian 0.1723062E+00 (-1/4)Del**2(Rho)) -0.4307654E-01 Diamond 0.7335593E-01 Metallicity 0.2208320E+01 Ellipticity 0.1718382E-01 Gb(Abramov) 0.4457216E-01 Vb(Abramov) -0.4606778E-01 Hb(Abramov) -0.1495620E-02 Ex_ueg -0.1153590E-01 Ec_ueg -0.2095919E-02 Delta_ex -0.1372602E-01 Delta_ec 0.5095929E-02 Delta_et -0.5200384E-01 Pxc 0.5503982E+01 Qxc -0.2693526E+01 3,-1 82 3 +1 0.878157 2.479136 -0.633769 Rho 0.2645578E-01 |GRAD(Rho)| 0.3172794E-16 GRAD(Rho)x 0.5856942E-17 GRAD(Rho)y -0.2577706E-16 GRAD(Rho)z -0.1754711E-16 Laplacian 0.1058605E+00 (-1/4)Del**2(Rho)) -0.2646512E-01 Diamond 0.1575235E-01 Metallicity 0.1529022E+01 Ellipticity -0.5201825E+01 Gb(Abramov) 0.2438770E-01 Vb(Abramov) -0.2231029E-01 Hb(Abramov) 0.2077414E-02 Ex_ueg -0.5822094E-02 Ec_ueg -0.1162286E-02 Delta_ex -0.6763457E-02 Delta_ec 0.1937485E-02 Delta_et -0.1731294E-01 Pxc 0.5009174E+01 Qxc -0.3490843E+01 3,+1 83 3 +1 0.842198 2.488945 0.648273 Rho 0.2612374E-01 |GRAD(Rho)| 0.4633086E-16 GRAD(Rho)x 0.2783518E-16 GRAD(Rho)y 0.3397087E-16 GRAD(Rho)z 0.1475572E-16 Laplacian 0.1045307E+00 (-1/4)Del**2(Rho)) -0.2613268E-01 Diamond 0.1549533E-01 Metallicity 0.1516217E+01 Ellipticity -0.5742901E+01 Gb(Abramov) 0.2402559E-01 Vb(Abramov) -0.2191850E-01 Hb(Abramov) 0.2107090E-02 Ex_ueg -0.5724869E-02 Ec_ueg -0.1145458E-02 Delta_ex -0.6677568E-02 Delta_ec 0.1951302E-02 Delta_et -0.1737456E-01 Pxc 0.4997888E+01 Qxc -0.3422109E+01 3,+1 84 3 +3 1.802027 0.323077 -0.057068 Rho 0.4291237E-02 |GRAD(Rho)| 0.3451646E-11 GRAD(Rho)x 0.2626663E-11 GRAD(Rho)y -0.2239080E-11 GRAD(Rho)z 0.3208939E-13 Laplacian 0.1747899E-01 (-1/4)Del**2(Rho)) -0.4369748E-02 Diamond 0.1217693E-03 Metallicity 0.4467532E+00 Ellipticity -0.4239793E+00 Gb(Abramov) 0.3238532E-02 Vb(Abramov) -0.2107316E-02 Hb(Abramov) 0.1131216E-02 Ex_ueg -0.5150251E-03 Ec_ueg -0.1165405E-03 Delta_ex -0.6048087E-03 Delta_ec 0.1232139E-03 Delta_et -0.8142123E-03 Pxc 0.4419279E+01 Qxc -0.4908609E+01 3,+3 85 3 +1 1.437923 -1.451457 -2.859808 Rho 0.1183627E-01 |GRAD(Rho)| 0.1718569E-12 GRAD(Rho)x -0.1233375E-12 GRAD(Rho)y 0.1047991E-12 GRAD(Rho)z -0.5779120E-13 Laplacian 0.5504794E-01 (-1/4)Del**2(Rho)) -0.1376199E-01 Diamond 0.1931553E-02 Metallicity 0.7695378E+00 Ellipticity -0.1226506E+01 Gb(Abramov) 0.1093972E-01 Vb(Abramov) -0.8117451E-02 Hb(Abramov) 0.2822267E-02 Ex_ueg -0.1992223E-02 Ec_ueg -0.4520157E-03 Delta_ex -0.2627472E-02 Delta_ec 0.5920523E-03 Delta_et -0.4519301E-02 Pxc 0.4407420E+01 Qxc -0.4437905E+01 3,+1 86 3 +3 1.593666 -1.638556 0.004426 Rho 0.3982693E-02 |GRAD(Rho)| 0.2196192E-16 GRAD(Rho)x -0.1052559E-16 GRAD(Rho)y 0.1520073E-16 GRAD(Rho)z -0.1185224E-16 Laplacian 0.1643141E-01 (-1/4)Del**2(Rho)) -0.4107853E-02 Diamond 0.1226278E-03 Metallicity 0.4196621E+00 Ellipticity -0.2804540E+00 Gb(Abramov) 0.3025887E-02 Vb(Abramov) -0.1943921E-02 Hb(Abramov) 0.1081966E-02 Ex_ueg -0.4662522E-03 Ec_ueg -0.1034001E-03 Delta_ex -0.5816851E-03 Delta_ec 0.1589268E-03 Delta_et -0.9536489E-03 Pxc 0.4509204E+01 Qxc -0.3660082E+01 3,+3 87 3 +1 2.058943 -2.070878 0.004362 Rho 0.4731959E-02 |GRAD(Rho)| 0.9240773E-17 GRAD(Rho)x -0.3510938E-17 GRAD(Rho)y -0.8169825E-17 GRAD(Rho)z 0.2513795E-17 Laplacian 0.1940094E-01 (-1/4)Del**2(Rho)) -0.4850235E-02 Diamond 0.4539540E-03 Metallicity 0.4737239E+00 Ellipticity -0.4749799E+01 Gb(Abramov) 0.3616436E-02 Vb(Abramov) -0.2382636E-02 Hb(Abramov) 0.1233800E-02 Ex_ueg -0.5867319E-03 Ec_ueg -0.1353962E-03 Delta_ex -0.9882336E-03 Delta_ec 0.6712584E-03 Delta_et -0.3561105E-02 Pxc 0.4333444E+01 Qxc -0.1472210E+01 3,+1 88 3 -1 1.693200 -0.647842 1.556858 Rho 0.3286826E-01 |GRAD(Rho)| 0.6024221E-16 GRAD(Rho)x 0.5843405E-16 GRAD(Rho)y -0.8465327E-17 GRAD(Rho)z 0.1195508E-16 Laplacian 0.1234609E+00 (-1/4)Del**2(Rho)) -0.3086522E-01 Diamond 0.3417859E-01 Metallicity 0.1882399E+01 Ellipticity 0.4583659E-01 Gb(Abramov) 0.3026026E-01 Vb(Abramov) -0.2965529E-01 Hb(Abramov) 0.6049652E-03 Ex_ueg -0.7775960E-02 Ec_ueg -0.1492482E-02 Delta_ex -0.9067990E-02 Delta_ec 0.3526936E-02 Delta_et -0.3322406E-01 Pxc 0.5210085E+01 Qxc -0.2571067E+01 3,-1 89 3 +1 1.428826 -1.470059 2.857358 Rho 0.1185671E-01 |GRAD(Rho)| 0.6299661E-17 GRAD(Rho)x 0.6253622E-17 GRAD(Rho)y -0.2844149E-18 GRAD(Rho)z 0.7050129E-18 Laplacian 0.5398044E-01 (-1/4)Del**2(Rho)) -0.1349511E-01 Diamond 0.1896935E-02 Metallicity 0.7870162E+00 Ellipticity -0.1243023E+01 Gb(Abramov) 0.1076688E-01 Vb(Abramov) -0.8038660E-02 Hb(Abramov) 0.2728225E-02 Ex_ueg -0.1996812E-02 Ec_ueg -0.4529582E-03 Delta_ex -0.2577234E-02 Delta_ec 0.5796997E-03 Delta_et -0.4427571E-02 Pxc 0.4408381E+01 Qxc -0.4445808E+01 3,+1 90 3 -1 1.717432 -0.608776 -1.586417 Rho 0.2568575E-01 |GRAD(Rho)| 0.4008852E-16 GRAD(Rho)x -0.3957158E-16 GRAD(Rho)y 0.1757274E-17 GRAD(Rho)z 0.6171853E-17 Laplacian 0.1004072E+00 (-1/4)Del**2(Rho)) -0.2510180E-01 Diamond 0.2025391E-01 Metallicity 0.1534624E+01 Ellipticity 0.1069658E+00 Gb(Abramov) 0.2315484E-01 Vb(Abramov) -0.2120788E-01 Hb(Abramov) 0.1946961E-02 Ex_ueg -0.5597250E-02 Ec_ueg -0.1123302E-02 Delta_ex -0.6983955E-02 Delta_ec 0.2942610E-02 Delta_et -0.2588380E-01 Pxc 0.4982853E+01 Qxc -0.2373388E+01 3,-1 91 3 +1 1.627958 -0.647759 -0.017308 Rho 0.7412939E-02 |GRAD(Rho)| 0.2779825E-17 GRAD(Rho)x -0.2648765E-18 GRAD(Rho)y -0.7568041E-18 GRAD(Rho)z -0.2661675E-17 Laplacian 0.3028592E-01 (-1/4)Del**2(Rho)) -0.7571479E-02 Diamond 0.7367735E-03 Metallicity 0.6412437E+00 Ellipticity -0.1452343E+01 Gb(Abramov) 0.5856847E-02 Vb(Abramov) -0.4142214E-02 Hb(Abramov) 0.1714632E-02 Ex_ueg -0.1067511E-02 Ec_ueg -0.2521849E-03 Delta_ex -0.1373879E-02 Delta_ec 0.4994023E-03 Delta_et -0.3222925E-02 Pxc 0.4233048E+01 Qxc -0.2751046E+01 3,+1 92 3 +1 1.288789 -1.669193 1.658310 Rho 0.2067329E-01 |GRAD(Rho)| 0.1929182E-15 GRAD(Rho)x -0.3380417E-16 GRAD(Rho)y -0.1827618E-15 GRAD(Rho)z 0.5169937E-16 Laplacian 0.7766294E-01 (-1/4)Del**2(Rho)) -0.1941573E-01 Diamond 0.7606675E-02 Metallicity 0.1381705E+01 Ellipticity -0.2859703E+01 Gb(Abramov) 0.1741496E-01 Vb(Abramov) -0.1541418E-01 Hb(Abramov) 0.2000776E-02 Ex_ueg -0.4190486E-02 Ec_ueg -0.8734407E-03 Delta_ex -0.4562649E-02 Delta_ec 0.1264314E-02 Delta_et -0.1066540E-01 Pxc 0.4797677E+01 Qxc -0.3608794E+01 3,+1 93 3 -1 2.928825 0.365646 1.568959 Rho 0.1073003E+00 |GRAD(Rho)| 0.2654288E-12 GRAD(Rho)x 0.1058726E-12 GRAD(Rho)y 0.8503814E-13 GRAD(Rho)z -0.2280613E-12 Laplacian 0.4494928E+00 (-1/4)Del**2(Rho)) -0.1123732E+00 Diamond 0.6144666E+00 Metallicity 0.3714431E+01 Ellipticity 0.1522033E-01 Gb(Abramov) 0.1444826E+00 Vb(Abramov) -0.1765919E+00 Hb(Abramov) -0.3210935E-01 Ex_ueg -0.3765765E-01 Ec_ueg -0.5769364E-02 Delta_ex -0.4462357E-01 Delta_ec 0.1250157E-01 Delta_et -0.1576573E+00 Pxc 0.6527176E+01 Qxc -0.3569437E+01 3,-1 94 3 -1 2.979614 0.437941 -1.616280 Rho 0.1164781E+00 |GRAD(Rho)| 0.6042776E-13 GRAD(Rho)x 0.2329509E-13 GRAD(Rho)y 0.2531226E-13 GRAD(Rho)z 0.4968040E-13 Laplacian 0.4817467E+00 (-1/4)Del**2(Rho)) -0.1204367E+00 Diamond 0.7172056E+00 Metallicity 0.3973760E+01 Ellipticity 0.1243548E-01 Gb(Abramov) 0.1600555E+00 Vb(Abramov) -0.1996744E+00 Hb(Abramov) -0.3961885E-01 Ex_ueg -0.4201240E-01 Ec_ueg -0.6333623E-02 Delta_ex -0.4862326E-01 Delta_ec 0.1290842E-01 Delta_et -0.1649203E+00 Pxc 0.6633234E+01 Qxc -0.3766787E+01 3,-1 95 3 +1 2.997549 0.580620 -0.045559 Rho 0.1263870E-01 |GRAD(Rho)| 0.3163517E-16 GRAD(Rho)x -0.5967932E-18 GRAD(Rho)y 0.1927136E-16 GRAD(Rho)z 0.2508072E-16 Laplacian 0.6240969E-01 (-1/4)Del**2(Rho)) -0.1560242E-01 Diamond 0.2648791E-02 Metallicity 0.7571793E+00 Ellipticity -0.1281314E+01 Gb(Abramov) 0.1237059E-01 Vb(Abramov) -0.9138752E-02 Hb(Abramov) 0.3231836E-02 Ex_ueg -0.2174312E-02 Ec_ueg -0.4891336E-03 Delta_ex -0.3100239E-02 Delta_ec 0.7925629E-03 Delta_et -0.6031641E-02 Pxc 0.4445231E+01 Qxc -0.3911663E+01 3,+1 96 3 -1 -1.949843 0.924590 -2.338737 Rho 0.1034596E-01 |GRAD(Rho)| 0.1397913E-16 GRAD(Rho)x 0.9053526E-17 GRAD(Rho)y 0.4764519E-17 GRAD(Rho)z 0.9526232E-17 Laplacian 0.4189309E-01 (-1/4)Del**2(Rho)) -0.1047327E-01 Diamond 0.3159670E-02 Metallicity 0.8080200E+00 Ellipticity 0.1993080E+00 Gb(Abramov) 0.8392617E-02 Vb(Abramov) -0.6311962E-02 Hb(Abramov) 0.2080655E-02 Ex_ueg -0.1664994E-02 Ec_ueg -0.3837614E-03 Delta_ex -0.2610926E-02 Delta_ec 0.1669016E-02 Delta_et -0.1113862E-01 Pxc 0.4338618E+01 Qxc -0.1564350E+01 3,-1 97 3 -1 -1.933253 0.864300 -0.706667 Rho 0.4585274E-01 |GRAD(Rho)| 0.2418802E-16 GRAD(Rho)x -0.2054781E-16 GRAD(Rho)y -0.2966895E-17 GRAD(Rho)z -0.1241150E-16 Laplacian 0.1201816E+00 (-1/4)Del**2(Rho)) -0.3004540E-01 Diamond 0.8299269E-01 Metallicity 0.3368093E+01 Ellipticity 0.3633537E-02 Gb(Abramov) 0.3689621E-01 Vb(Abramov) -0.4374703E-01 Hb(Abramov) -0.6850816E-02 Ex_ueg -0.1212101E-01 Ec_ueg -0.2186945E-02 Delta_ex -0.1107465E-01 Delta_ec 0.6073645E-02 Delta_et -0.6313645E-01 Pxc 0.5542441E+01 Qxc -0.1823394E+01 3,-1 98 3 -1 -1.928440 0.867387 0.725864 Rho 0.4658091E-01 |GRAD(Rho)| 0.7388143E-15 GRAD(Rho)x 0.6757373E-15 GRAD(Rho)y 0.2365869E-15 GRAD(Rho)z -0.1823521E-15 Laplacian 0.1208807E+00 (-1/4)Del**2(Rho)) -0.3022019E-01 Diamond 0.8582539E-01 Metallicity 0.3437710E+01 Ellipticity 0.3019395E-02 Gb(Abramov) 0.3746150E-01 Vb(Abramov) -0.4470281E-01 Hb(Abramov) -0.7241313E-02 Ex_ueg -0.1237834E-01 Ec_ueg -0.2226769E-02 Delta_ex -0.1120383E-01 Delta_ec 0.6155488E-02 Delta_et -0.6428953E-01 Pxc 0.5558878E+01 Qxc -0.1820137E+01 3,-1 99 3 -1 -2.107690 1.464937 -1.172443 Rho 0.3056521E+00 |GRAD(Rho)| 0.2290780E-15 GRAD(Rho)x 0.4967001E-17 GRAD(Rho)y -0.4003162E-16 GRAD(Rho)z -0.2254984E-15 Laplacian -0.1531582E+01 (-1/4)Del**2(Rho)) 0.3828956E+00 Diamond 0.5185387E+01 Metallicity -0.6240009E+01 Ellipticity 0.6840024E-03 Gb(Abramov) 0.1429482E+00 Vb(Abramov) -0.6687921E+00 Hb(Abramov) -0.5258438E+00 Ex_ueg -0.1520623E+00 Ec_ueg -0.1909564E-01 Delta_ex 0.1493306E+00 Delta_ec 0.5426599E-01 Delta_et -0.1261149E+01 Pxc 0.7963197E+01 Qxc 0.2751827E+01 3,-1 100 3 -1 -2.099479 1.469554 1.185583 Rho 0.3041945E+00 |GRAD(Rho)| 0.2598485E-15 GRAD(Rho)x 0.1028919E-15 GRAD(Rho)y 0.4683203E-16 GRAD(Rho)z -0.2339685E-15 Laplacian -0.1519972E+01 (-1/4)Del**2(Rho)) 0.3799929E+00 Diamond 0.5129666E+01 Metallicity -0.6237778E+01 Ellipticity 0.7369460E-03 Gb(Abramov) 0.1417233E+00 Vb(Abramov) -0.6634395E+00 Hb(Abramov) -0.5217162E+00 Ex_ueg -0.1510962E+00 Ec_ueg -0.1898967E-01 Delta_ex 0.1478678E+00 Delta_ec 0.5394691E-01 Delta_et -0.1250952E+01 Pxc 0.7956756E+01 Qxc 0.2740988E+01 3,-1 101 3 +1 -1.317415 -0.071687 -1.646745 Rho 0.5850176E-02 |GRAD(Rho)| 0.1940761E-14 GRAD(Rho)x 0.1846566E-14 GRAD(Rho)y -0.3889908E-15 GRAD(Rho)z 0.4532488E-15 Laplacian 0.2331405E-01 (-1/4)Del**2(Rho)) -0.5828512E-02 Diamond 0.5397530E-03 Metallicity 0.5614060E+00 Ellipticity -0.1849716E+01 Gb(Abramov) 0.4431035E-02 Vb(Abramov) -0.3033558E-02 Hb(Abramov) 0.1397477E-02 Ex_ueg -0.7785329E-03 Ec_ueg -0.1836808E-03 Delta_ex -0.1095980E-02 Delta_ec 0.5569268E-03 Delta_et -0.3240567E-02 Pxc 0.4238509E+01 Qxc -0.1967906E+01 3,+1 102 3 +1 -1.276871 -0.077244 1.658884 Rho 0.5993396E-02 |GRAD(Rho)| 0.8015969E-17 GRAD(Rho)x 0.2482056E-18 GRAD(Rho)y 0.2117481E-17 GRAD(Rho)z -0.7727252E-17 Laplacian 0.2410028E-01 (-1/4)Del**2(Rho)) -0.6025071E-02 Diamond 0.5704527E-03 Metallicity 0.5654306E+00 Ellipticity -0.1810701E+01 Gb(Abramov) 0.4584507E-02 Vb(Abramov) -0.3143943E-02 Hb(Abramov) 0.1440564E-02 Ex_ueg -0.8040487E-03 Ec_ueg -0.1899100E-03 Delta_ex -0.1134488E-02 Delta_ec 0.5678889E-03 Delta_et -0.3331627E-02 Pxc 0.4233840E+01 Qxc -0.1997728E+01 3,+1 103 3 -1 -1.059817 -0.168636 -3.377272 Rho 0.2205302E+00 |GRAD(Rho)| 0.8527919E-14 GRAD(Rho)x -0.5519727E-14 GRAD(Rho)y -0.6468770E-14 GRAD(Rho)z -0.6426744E-15 Laplacian 0.8460422E+00 (-1/4)Del**2(Rho)) -0.2115105E+00 Diamond 0.2676141E+01 Metallicity 0.6556438E+01 Ellipticity 0.2150238E-01 Gb(Abramov) 0.3721330E+00 Vb(Abramov) -0.5327554E+00 Hb(Abramov) -0.1606224E+00 Ex_ueg -0.9840318E-01 Ec_ueg -0.1310361E-01 Delta_ex -0.9983817E-01 Delta_ec 0.1887374E-01 Delta_et -0.2593230E+00 Pxc 0.7509621E+01 Qxc -0.5289792E+01 3,-1 104 3 -1 0.982611 -0.124425 -3.476199 Rho 0.7500278E-01 |GRAD(Rho)| 0.2941696E-13 GRAD(Rho)x -0.2820682E-13 GRAD(Rho)y 0.2109041E-14 GRAD(Rho)z -0.8079890E-14 Laplacian 0.3033965E+00 (-1/4)Del**2(Rho)) -0.7584913E-01 Diamond 0.2647690E+00 Metallicity 0.3029690E+01 Ellipticity 0.4205757E-02 Gb(Abramov) 0.8886597E-01 Vb(Abramov) -0.1018828E+00 Hb(Abramov) -0.1301685E-01 Ex_ueg -0.2336083E-01 Ec_ueg -0.3837630E-02 Delta_ex -0.2764512E-01 Delta_ec 0.8915241E-02 Delta_et -0.1040528E+00 Pxc 0.6087306E+01 Qxc -0.3100883E+01 3,-1 105 3 -1 -1.003408 -0.149167 3.397862 Rho 0.2181010E+00 |GRAD(Rho)| 0.4900051E-12 GRAD(Rho)x 0.4660757E-12 GRAD(Rho)y 0.4336753E-13 GRAD(Rho)z 0.1449058E-12 Laplacian 0.8374259E+00 (-1/4)Del**2(Rho)) -0.2093565E+00 Diamond 0.2611036E+01 Metallicity 0.6502736E+01 Ellipticity 0.2270030E-01 Gb(Abramov) 0.3664693E+00 Vb(Abramov) -0.5235821E+00 Hb(Abramov) -0.1571128E+00 Ex_ueg -0.9696057E-01 Ec_ueg -0.1293845E-01 Delta_ex -0.9852131E-01 Delta_ec 0.1871082E-01 Delta_et -0.2568189E+00 Pxc 0.7493988E+01 Qxc -0.5265472E+01 3,-1 106 3 +1 0.248672 -1.183714 -2.432460 Rho 0.2470666E-01 |GRAD(Rho)| 0.6681777E-16 GRAD(Rho)x -0.7498413E-17 GRAD(Rho)y -0.1804646E-16 GRAD(Rho)z -0.6389612E-16 Laplacian 0.9859055E-01 (-1/4)Del**2(Rho)) -0.2464764E-01 Diamond 0.1308438E-01 Metallicity 0.1464878E+01 Ellipticity -0.3807596E+01 Gb(Abramov) 0.2244939E-01 Vb(Abramov) -0.2025114E-01 Hb(Abramov) 0.2198250E-02 Ex_ueg -0.5314599E-02 Ec_ueg -0.1073956E-02 Delta_ex -0.6156377E-02 Delta_ec 0.1751335E-02 Delta_et -0.1539594E-01 Pxc 0.4948617E+01 Qxc -0.3515248E+01 3,+1 107 3 +3 -0.782845 -1.810214 0.005991 Rho 0.3991020E-02 |GRAD(Rho)| 0.5376176E-15 GRAD(Rho)x 0.3584792E-15 GRAD(Rho)y 0.3993710E-15 GRAD(Rho)z -0.3206613E-16 Laplacian 0.1600681E-01 (-1/4)Del**2(Rho)) -0.4001703E-02 Diamond 0.1473877E-03 Metallicity 0.4322962E+00 Ellipticity -0.8403050E+00 Gb(Abramov) 0.2956122E-02 Vb(Abramov) -0.1910541E-02 Hb(Abramov) 0.1045581E-02 Ex_ueg -0.4675523E-03 Ec_ueg -0.1037541E-03 Delta_ex -0.6015510E-03 Delta_ec 0.2165961E-03 Delta_et -0.1217529E-02 Pxc 0.4506352E+01 Qxc -0.2777293E+01 3,+3 108 3 +3 1.263092 -1.277093 -2.543293 Rho 0.1111216E-01 |GRAD(Rho)| 0.1048904E-15 GRAD(Rho)x -0.3528310E-16 GRAD(Rho)y -0.2435945E-16 GRAD(Rho)z 0.9572727E-16 Laplacian 0.4962240E-01 (-1/4)Del**2(Rho)) -0.1240560E-01 Diamond 0.9222467E-03 Metallicity 0.7684220E+00 Ellipticity -0.3996820E+00 Gb(Abramov) 0.9859190E-02 Vb(Abramov) -0.7312780E-02 Hb(Abramov) 0.2546411E-02 Ex_ueg -0.1831400E-02 Ec_ueg -0.4187401E-03 Delta_ex -0.2112668E-02 Delta_ec 0.1483233E-03 Delta_et -0.1487295E-02 Pxc 0.4373597E+01 Qxc -0.1424367E+02 3,+3 109 3 +3 1.238265 -1.316149 2.550731 Rho 0.1118205E-01 |GRAD(Rho)| 0.1359904E-16 GRAD(Rho)x -0.1275440E-16 GRAD(Rho)y 0.4637578E-17 GRAD(Rho)z -0.8671268E-18 Laplacian 0.4937786E-01 (-1/4)Del**2(Rho)) -0.1234446E-01 Diamond 0.9351429E-03 Metallicity 0.7803386E+00 Ellipticity -0.3709812E+00 Gb(Abramov) 0.9835120E-02 Vb(Abramov) -0.7325776E-02 Hb(Abramov) 0.2509344E-02 Ex_ueg -0.1846773E-02 Ec_ueg -0.4219423E-03 Delta_ex -0.2109131E-02 Delta_ec 0.1528795E-03 Delta_et -0.1515237E-02 Pxc 0.4376837E+01 Qxc -0.1379604E+02 3,+3 110 3 -1 2.726209 1.902361 -0.716682 Rho 0.1592814E+00 |GRAD(Rho)| 0.7088037E-14 GRAD(Rho)x -0.9673862E-15 GRAD(Rho)y -0.6485589E-14 GRAD(Rho)z -0.2691017E-14 Laplacian 0.6624223E+00 (-1/4)Del**2(Rho)) -0.1656056E+00 Diamond 0.1440295E+01 Metallicity 0.4868778E+01 Ellipticity 0.2215991E-01 Gb(Abramov) 0.2447865E+00 Vb(Abramov) -0.3239675E+00 Hb(Abramov) -0.7918094E-01 Ex_ueg -0.6376834E-01 Ec_ueg -0.9040280E-02 Delta_ex -0.7217704E-01 Delta_ec 0.1651554E-01 Delta_et -0.2215262E+00 Pxc 0.7053802E+01 Qxc -0.4370250E+01 3,-1 111 3 -1 2.704217 1.871887 0.687657 Rho 0.1710024E+00 |GRAD(Rho)| 0.4322785E-11 GRAD(Rho)x 0.9604655E-12 GRAD(Rho)y -0.3002200E-11 GRAD(Rho)z 0.2958171E-11 Laplacian 0.7135348E+00 (-1/4)Del**2(Rho)) -0.1783837E+00 Diamond 0.1679672E+01 Metallicity 0.5087858E+01 Ellipticity 0.2883895E-01 Gb(Abramov) 0.2701876E+00 Vb(Abramov) -0.3619915E+00 Hb(Abramov) -0.9180392E-01 Ex_ueg -0.7010053E-01 Ec_ueg -0.9801261E-02 Delta_ex -0.7905072E-01 Delta_ec 0.1732211E-01 Delta_et -0.2339439E+00 Pxc 0.7152195E+01 Qxc -0.4563573E+01 3,-1 112 3 -1 3.897660 -0.616707 -2.250250 Rho 0.2264586E+00 |GRAD(Rho)| 0.1319119E-13 GRAD(Rho)x 0.9198046E-14 GRAD(Rho)y 0.9328584E-14 GRAD(Rho)z -0.1543064E-14 Laplacian 0.7995218E+00 (-1/4)Del**2(Rho)) -0.1998804E+00 Diamond 0.2661647E+01 Metallicity 0.7251553E+01 Ellipticity 0.9955168E-02 Gb(Abramov) 0.3748276E+00 Vb(Abramov) -0.5497747E+00 Hb(Abramov) -0.1749471E+00 Ex_ueg -0.1019460E+00 Ec_ueg -0.1350806E-01 Delta_ex -0.9529191E-01 Delta_ec 0.1821973E-01 Delta_et -0.2528098E+00 Pxc 0.7547049E+01 Qxc -0.5230149E+01 3,-1 113 3 -1 3.854628 -0.701700 2.215376 Rho 0.2351140E+00 |GRAD(Rho)| 0.5416098E-15 GRAD(Rho)x 0.4938541E-15 GRAD(Rho)y -0.4783703E-16 GRAD(Rho)z 0.2171657E-15 Laplacian 0.8513913E+00 (-1/4)Del**2(Rho)) -0.2128478E+00 Diamond 0.2946923E+01 Metallicity 0.7249056E+01 Ellipticity 0.4146525E-02 Gb(Abramov) 0.3990562E+00 Vb(Abramov) -0.5852645E+00 Hb(Abramov) -0.1862083E+00 Ex_ueg -0.1071741E+00 Ec_ueg -0.1410201E-01 Delta_ex -0.1023664E+00 Delta_ec 0.1901445E-01 Delta_et -0.2635798E+00 Pxc 0.7599913E+01 Qxc -0.5383612E+01 3,-1 114 3 +1 -1.277206 -1.746154 0.027139 Rho 0.4119999E-02 |GRAD(Rho)| 0.3096506E-11 GRAD(Rho)x -0.7742422E-13 GRAD(Rho)y -0.2186047E-11 GRAD(Rho)z 0.2191701E-11 Laplacian 0.1574927E-01 (-1/4)Del**2(Rho)) -0.3937318E-02 Diamond 0.2081645E-03 Metallicity 0.4632846E+00 Ellipticity -0.1395803E+01 Gb(Abramov) 0.2928895E-02 Vb(Abramov) -0.1920472E-02 Hb(Abramov) 0.1008423E-02 Ex_ueg -0.4878068E-03 Ec_ueg -0.1092416E-03 Delta_ex -0.6645961E-03 Delta_ec 0.3349723E-03 Delta_et -0.1782405E-02 Pxc 0.4465395E+01 Qxc -0.1984033E+01 3,+1 115 3 -1 -0.788027 -0.001673 0.007711 Rho 0.2152894E+00 |GRAD(Rho)| 0.2033345E-13 GRAD(Rho)x 0.1976402E-13 GRAD(Rho)y 0.3215346E-15 GRAD(Rho)z 0.4767512E-14 Laplacian 0.8421271E+00 (-1/4)Del**2(Rho)) -0.2105318E+00 Diamond 0.2783936E+01 Metallicity 0.6328101E+01 Ellipticity 0.6797040E-02 Gb(Abramov) 0.3623989E+00 Vb(Abramov) -0.5142660E+00 Hb(Abramov) -0.1518671E+00 Ex_ueg -0.9529761E-01 Ec_ueg -0.1274769E-01 Delta_ex -0.9996608E-01 Delta_ec 0.2107068E-01 Delta_et -0.2975332E+00 Pxc 0.7475675E+01 Qxc -0.4744321E+01 3,-1 116 3 +1 0.565383 -1.769230 0.015739 Rho 0.7981353E-02 |GRAD(Rho)| 0.5584245E-16 GRAD(Rho)x -0.4483134E-16 GRAD(Rho)y -0.1489073E-16 GRAD(Rho)z -0.2977914E-16 Laplacian 0.3319105E-01 (-1/4)Del**2(Rho)) -0.8297764E-02 Diamond 0.8464296E-03 Metallicity 0.6617891E+00 Ellipticity -0.1404029E+01 Gb(Abramov) 0.6447071E-02 Vb(Abramov) -0.4596378E-02 Hb(Abramov) 0.1850693E-02 Ex_ueg -0.1178023E-02 Ec_ueg -0.2773857E-03 Delta_ex -0.1509946E-02 Delta_ec 0.5062235E-03 Delta_et -0.3361553E-02 Pxc 0.4246877E+01 Qxc -0.2982765E+01 3,+1 117 3 -1 0.189365 -0.360367 2.405033 Rho 0.3644900E-01 |GRAD(Rho)| 0.1663148E-15 GRAD(Rho)x 0.3453396E-16 GRAD(Rho)y -0.2675793E-16 GRAD(Rho)z -0.1604744E-15 Laplacian 0.1437866E+00 (-1/4)Del**2(Rho)) -0.3594666E-01 Diamond 0.4897056E-01 Metallicity 0.1920307E+01 Ellipticity 0.8581817E-02 Gb(Abramov) 0.3546921E-01 Vb(Abramov) -0.3499176E-01 Hb(Abramov) 0.4774498E-03 Ex_ueg -0.8925499E-02 Ec_ueg -0.1680806E-02 Delta_ex -0.1104149E-01 Delta_ec 0.4474695E-02 Delta_et -0.4337379E-01 Pxc 0.5310250E+01 Qxc -0.2467541E+01 3,-1 118 3 -1 -0.130731 0.005665 -4.511531 Rho 0.2205297E+00 |GRAD(Rho)| 0.8296173E-15 GRAD(Rho)x -0.1565995E-16 GRAD(Rho)y 0.1016440E-17 GRAD(Rho)z 0.8294689E-15 Laplacian 0.8053515E+00 (-1/4)Del**2(Rho)) -0.2013379E+00 Diamond 0.2581111E+01 Metallicity 0.6887677E+01 Ellipticity 0.1618649E-01 Gb(Abramov) 0.3653503E+00 Vb(Abramov) -0.5293627E+00 Hb(Abramov) -0.1640124E+00 Ex_ueg -0.9840288E-01 Ec_ueg -0.1310358E-01 Delta_ex -0.9523710E-01 Delta_ec 0.1832441E-01 Delta_et -0.2532158E+00 Pxc 0.7509618E+01 Qxc -0.5197282E+01 3,-1 119 3 -1 0.437020 -1.834176 1.547404 Rho 0.3610900E-01 |GRAD(Rho)| 0.5756414E-16 GRAD(Rho)x -0.4426813E-17 GRAD(Rho)y -0.5691892E-16 GRAD(Rho)z 0.7366804E-17 Laplacian 0.1443088E+00 (-1/4)Del**2(Rho)) -0.3607721E-01 Diamond 0.4844638E-01 Metallicity 0.1883704E+01 Ellipticity 0.1350761E-01 Gb(Abramov) 0.3537793E-01 Vb(Abramov) -0.3467866E-01 Hb(Abramov) 0.6992734E-03 Ex_ueg -0.8814661E-02 Ec_ueg -0.1662812E-02 Delta_ex -0.1105100E-01 Delta_ec 0.4481676E-02 Delta_et -0.4332907E-01 Pxc 0.5301057E+01 Qxc -0.2465819E+01 3,-1 120 3 -1 0.527631 -1.826975 -1.532920 Rho 0.4036196E-01 |GRAD(Rho)| 0.1557274E-13 GRAD(Rho)x -0.1186340E-13 GRAD(Rho)y -0.1006738E-13 GRAD(Rho)z 0.6463604E-15 Laplacian 0.1562438E+00 (-1/4)Del**2(Rho)) -0.3906096E-01 Diamond 0.5855461E-01 Metallicity 0.2094582E+01 Ellipticity 0.2158846E-01 Gb(Abramov) 0.3967670E-01 Vb(Abramov) -0.4029245E-01 Hb(Abramov) -0.6157453E-03 Ex_ueg -0.1022543E-01 Ec_ueg -0.1889491E-02 Delta_ex -0.1215395E-01 Delta_ec 0.4596528E-02 Delta_et -0.4578459E-01 Pxc 0.5411737E+01 Qxc -0.2644158E+01 3,-1 121 3 -1 1.452687 -2.714544 1.958687 Rho 0.8593227E-01 |GRAD(Rho)| 0.1587017E-13 GRAD(Rho)x 0.7062263E-14 GRAD(Rho)y 0.1368461E-13 GRAD(Rho)z -0.3836422E-14 Laplacian 0.3448143E+00 (-1/4)Del**2(Rho)) -0.8620357E-01 Diamond 0.3530489E+00 Metallicity 0.3344170E+01 Ellipticity 0.3014609E-02 Gb(Abramov) 0.1055156E+00 Vb(Abramov) -0.1248277E+00 Hb(Abramov) -0.1931205E-01 Ex_ueg -0.2800658E-01 Ec_ueg -0.4481077E-02 Delta_ex -0.3236481E-01 Delta_ec 0.9783981E-02 Delta_et -0.1176320E+00 Pxc 0.6249967E+01 Qxc -0.3307939E+01 3,-1 122 3 +1 -0.486264 -3.123617 0.030889 Rho 0.1407823E-01 |GRAD(Rho)| 0.2079271E-16 GRAD(Rho)x -0.8378850E-17 GRAD(Rho)y -0.4654446E-17 GRAD(Rho)z 0.1845177E-16 Laplacian 0.6587251E-01 (-1/4)Del**2(Rho)) -0.1646813E-01 Diamond 0.3303708E-02 Metallicity 0.8586621E+00 Ellipticity -0.1394615E+01 Gb(Abramov) 0.1333551E-01 Vb(Abramov) -0.1020290E-01 Hb(Abramov) 0.3132616E-02 Ex_ueg -0.2510628E-02 Ec_ueg -0.5563376E-03 Delta_ex -0.3382085E-02 Delta_ec 0.8620828E-03 Delta_et -0.6714673E-02 Pxc 0.4512778E+01 Qxc -0.3923156E+01 3,+1 123 3 -1 1.577338 -2.693634 -1.967467 Rho 0.1394713E+00 |GRAD(Rho)| 0.4647857E-15 GRAD(Rho)x -0.4639030E-15 GRAD(Rho)y -0.2268015E-16 GRAD(Rho)z -0.1747429E-16 Laplacian 0.5642994E+00 (-1/4)Del**2(Rho)) -0.1410749E+00 Diamond 0.1048137E+01 Metallicity 0.4580487E+01 Ellipticity 0.3777464E-01 Gb(Abramov) 0.2017485E+00 Vb(Abramov) -0.2624221E+00 Hb(Abramov) -0.6067365E-01 Ex_ueg -0.5341930E-01 Ec_ueg -0.7772971E-02 Delta_ex -0.5953449E-01 Delta_ec 0.1458205E-01 Delta_et -0.1920871E+00 Pxc 0.6872443E+01 Qxc -0.4082725E+01 3,-1 124 3 -1 2.478433 -0.335697 -2.705980 Rho 0.1741920E+00 |GRAD(Rho)| 0.8078399E-13 GRAD(Rho)x 0.1805376E-13 GRAD(Rho)y -0.6820578E-13 GRAD(Rho)z 0.3934572E-13 Laplacian 0.6781094E+00 (-1/4)Del**2(Rho)) -0.1695274E+00 Diamond 0.1623325E+01 Metallicity 0.5521118E+01 Ellipticity 0.5964964E-01 Gb(Abramov) 0.2690150E+00 Vb(Abramov) -0.3685026E+00 Hb(Abramov) -0.9948765E-01 Ex_ueg -0.7184932E-01 Ec_ueg -0.1000974E-01 Delta_ex -0.7540347E-01 Delta_ec 0.1625498E-01 Delta_et -0.2196105E+00 Pxc 0.7177941E+01 Qxc -0.4638791E+01 3,-1 125 3 -1 2.449807 -0.360497 2.690233 Rho 0.1784049E+00 |GRAD(Rho)| 0.5331162E-13 GRAD(Rho)x 0.5278658E-13 GRAD(Rho)y -0.7293157E-14 GRAD(Rho)z 0.1586052E-14 Laplacian 0.6939862E+00 (-1/4)Del**2(Rho)) -0.1734965E+00 Diamond 0.1730241E+01 Metallicity 0.5614017E+01 Ellipticity 0.4085872E-01 Gb(Abramov) 0.2779998E+00 Vb(Abramov) -0.3825030E+00 Hb(Abramov) -0.1045032E+00 Ex_ueg -0.7417556E-01 Ec_ueg -0.1028601E-01 Delta_ex -0.7779719E-01 Delta_ec 0.1682085E-01 Delta_et -0.2286896E+00 Pxc 0.7211307E+01 Qxc -0.4625044E+01 3,-1 126 3 -1 0.497555 3.308293 1.508388 Rho 0.1484712E+00 |GRAD(Rho)| 0.7591944E-13 GRAD(Rho)x 0.1795872E-13 GRAD(Rho)y 0.5332652E-13 GRAD(Rho)z -0.5096595E-13 Laplacian 0.5852480E+00 (-1/4)Del**2(Rho)) -0.1463120E+00 Diamond 0.1173613E+01 Metallicity 0.4901664E+01 Ellipticity 0.3362685E-01 Gb(Abramov) 0.2170700E+00 Vb(Abramov) -0.2878281E+00 Hb(Abramov) -0.7075804E-01 Ex_ueg -0.5806413E-01 Ec_ueg -0.8345719E-02 Delta_ex -0.6271347E-01 Delta_ec 0.1492494E-01 Delta_et -0.1984823E+00 Pxc 0.6957355E+01 Qxc -0.4201924E+01 3,-1 127 3 -1 -0.190520 2.382330 2.381765 Rho 0.1495241E+00 |GRAD(Rho)| 0.1960552E-12 GRAD(Rho)x -0.5852369E-13 GRAD(Rho)y 0.1458260E-12 GRAD(Rho)z -0.1172493E-12 Laplacian 0.6199014E+00 (-1/4)Del**2(Rho)) -0.1549753E+00 Diamond 0.1248238E+01 Metallicity 0.4682480E+01 Ellipticity 0.1759177E-01 Gb(Abramov) 0.2242617E+00 Vb(Abramov) -0.2935481E+00 Hb(Abramov) -0.6928638E-01 Ex_ueg -0.5861382E-01 Ec_ueg -0.8413057E-02 Delta_ex -0.6648751E-01 Delta_ec 0.1568346E-01 Delta_et -0.2085539E+00 Pxc 0.6967006E+01 Qxc -0.4239339E+01 3,-1 128 3 -1 0.054667 -1.115040 3.536969 Rho 0.1194521E+00 |GRAD(Rho)| 0.2661569E-13 GRAD(Rho)x 0.2271752E-13 GRAD(Rho)y 0.1386213E-13 GRAD(Rho)z 0.3882935E-15 Laplacian 0.4563074E+00 (-1/4)Del**2(Rho)) -0.1140768E+00 Diamond 0.7065490E+00 Metallicity 0.4375339E+01 Ellipticity 0.3098459E-01 Gb(Abramov) 0.1592387E+00 Vb(Abramov) -0.2044006E+00 Hb(Abramov) -0.4516187E-01 Ex_ueg -0.4344868E-01 Ec_ueg -0.6517765E-02 Delta_ex -0.4641818E-01 Delta_ec 0.1230701E-01 Delta_et -0.1581836E+00 Pxc 0.6666193E+01 Qxc -0.3771685E+01 3,-1 129 3 -1 0.014721 -1.136452 -3.492558 Rho 0.1177467E+00 |GRAD(Rho)| 0.3984602E-14 GRAD(Rho)x -0.7003235E-15 GRAD(Rho)y 0.3918130E-14 GRAD(Rho)z 0.1866903E-15 Laplacian 0.4500661E+00 (-1/4)Del**2(Rho)) -0.1125165E+00 Diamond 0.6858559E+00 Metallicity 0.4330969E+01 Ellipticity 0.2623446E-01 Gb(Abramov) 0.1562286E+00 Vb(Abramov) -0.1999407E+00 Hb(Abramov) -0.4371208E-01 Ex_ueg -0.4262361E-01 Ec_ueg -0.6412098E-02 Delta_ex -0.4563965E-01 Delta_ec 0.1220181E-01 Delta_et -0.1564684E+00 Pxc 0.6647374E+01 Qxc -0.3740400E+01 3,-1 130 3 -1 0.099534 -0.268092 0.516570 Rho 0.1959164E+00 |GRAD(Rho)| 0.2200217E-15 GRAD(Rho)x -0.2167970E-15 GRAD(Rho)y 0.1152082E-16 GRAD(Rho)z 0.3571941E-16 Laplacian 0.6488649E+00 (-1/4)Del**2(Rho)) -0.1622162E+00 Diamond 0.1999947E+01 Metallicity 0.7018491E+01 Ellipticity 0.9150601E-02 Gb(Abramov) 0.2978963E+00 Vb(Abramov) -0.4335764E+00 Hb(Abramov) -0.1356801E+00 Ex_ueg -0.8403875E-01 Ec_ueg -0.1144521E-01 Delta_ex -0.7580542E-01 Delta_ec 0.1770115E-01 Delta_et -0.2507710E+00 Pxc 0.7342701E+01 Qxc -0.4282515E+01 3,-1 131 3 -1 0.152825 -0.375274 -2.385110 Rho 0.3877934E-01 |GRAD(Rho)| 0.8183210E-16 GRAD(Rho)x 0.1512399E-16 GRAD(Rho)y -0.3613490E-16 GRAD(Rho)z 0.7184724E-16 Laplacian 0.1521589E+00 (-1/4)Del**2(Rho)) -0.3803974E-01 Diamond 0.5641258E-01 Metallicity 0.2012100E+01 Ellipticity 0.2379738E-01 Gb(Abramov) 0.3811645E-01 Vb(Abramov) -0.3819317E-01 Hb(Abramov) -0.7671632E-04 Ex_ueg -0.9694355E-02 Ec_ueg -0.1804739E-02 Delta_ex -0.1186489E-01 Delta_ec 0.4737557E-02 Delta_et -0.4670909E-01 Pxc 0.5371609E+01 Qxc -0.2504433E+01 3,-1 132 3 -1 0.091171 -0.272944 -0.511334 Rho 0.1955999E+00 |GRAD(Rho)| 0.3122306E-15 GRAD(Rho)x -0.2151061E-15 GRAD(Rho)y -0.4311316E-16 GRAD(Rho)z -0.2221678E-15 Laplacian 0.6473190E+00 (-1/4)Del**2(Rho)) -0.1618297E+00 Diamond 0.1989719E+01 Metallicity 0.7016318E+01 Ellipticity 0.1445946E-01 Gb(Abramov) 0.2971280E+00 Vb(Abramov) -0.4324262E+00 Hb(Abramov) -0.1352982E+00 Ex_ueg -0.8385776E-01 Ec_ueg -0.1142410E-01 Delta_ex -0.7558342E-01 Delta_ec 0.1764633E-01 Delta_et -0.2498841E+00 Pxc 0.7340425E+01 Qxc -0.4283237E+01 3,-1 133 3 +1 1.031528 -0.347452 2.447641 Rho 0.2155699E-01 |GRAD(Rho)| 0.5110620E-16 GRAD(Rho)x -0.4066040E-16 GRAD(Rho)y 0.2845291E-16 GRAD(Rho)z 0.1220686E-16 Laplacian 0.8233123E-01 (-1/4)Del**2(Rho)) -0.2058281E-01 Diamond 0.8524937E-02 Metallicity 0.1397534E+01 Ellipticity -0.2834003E+01 Gb(Abramov) 0.1851607E-01 Vb(Abramov) -0.1644932E-01 Hb(Abramov) 0.2066742E-02 Ex_ueg -0.4431009E-02 Ec_ueg -0.9169775E-03 Delta_ex -0.4888775E-02 Delta_ec 0.1336310E-02 Delta_et -0.1139136E-01 Pxc 0.4832190E+01 Qxc -0.3658413E+01 3,+1 134 3 -1 0.286898 -2.514539 2.724126 Rho 0.1396650E+00 |GRAD(Rho)| 0.1725558E-13 GRAD(Rho)x -0.2857003E-14 GRAD(Rho)y 0.1688995E-13 GRAD(Rho)z 0.2078985E-14 Laplacian 0.5429115E+00 (-1/4)Del**2(Rho)) -0.1357279E+00 Diamond 0.1006328E+01 Metallicity 0.4771957E+01 Ellipticity 0.5660452E-01 Gb(Abramov) 0.1984332E+00 Vb(Abramov) -0.2611385E+00 Hb(Abramov) -0.6270531E-01 Ex_ueg -0.5351822E-01 Ec_ueg -0.7785241E-02 Delta_ex -0.5725613E-01 Delta_ec 0.1395097E-01 Delta_et -0.1836598E+00 Pxc 0.6874318E+01 Qxc -0.4104095E+01 3,-1 135 3 -1 0.364076 -2.515869 -2.693067 Rho 0.1492015E+00 |GRAD(Rho)| 0.2135367E-15 GRAD(Rho)x 0.6437450E-17 GRAD(Rho)y 0.1320016E-15 GRAD(Rho)z 0.1677261E-15 Laplacian 0.5993441E+00 (-1/4)Del**2(Rho)) -0.1498360E+00 Diamond 0.1209140E+01 Metallicity 0.4825686E+01 Ellipticity 0.5212215E-01 Gb(Abramov) 0.2204010E+00 Vb(Abramov) -0.2909659E+00 Hb(Abramov) -0.7056493E-01 Ex_ueg -0.5844528E-01 Ec_ueg -0.8392420E-02 Delta_ex -0.6430293E-01 Delta_ec 0.1526865E-01 Delta_et -0.2032001E+00 Pxc 0.6964055E+01 Qxc -0.4211435E+01 3,-1 136 3 -1 0.696503 -3.197308 0.882755 Rho 0.1158005E+00 |GRAD(Rho)| 0.1366449E-15 GRAD(Rho)x 0.1507719E-16 GRAD(Rho)y -0.5227379E-16 GRAD(Rho)z -0.1253473E-15 Laplacian 0.4734315E+00 (-1/4)Del**2(Rho)) -0.1183579E+00 Diamond 0.7035325E+00 Metallicity 0.4004422E+01 Ellipticity 0.1353487E-01 Gb(Abramov) 0.1578977E+00 Vb(Abramov) -0.1974376E+00 Hb(Abramov) -0.3953986E-01 Ex_ueg -0.4168682E-01 Ec_ueg -0.6291751E-02 Delta_ex -0.4776890E-01 Delta_ec 0.1279410E-01 Delta_et -0.1634333E+00 Pxc 0.6625632E+01 Qxc -0.3733665E+01 3,-1 137 3 -1 3.097163 -0.769735 0.870120 Rho 0.1343908E+00 |GRAD(Rho)| 0.1278694E-14 GRAD(Rho)x -0.1207530E-15 GRAD(Rho)y -0.1172514E-15 GRAD(Rho)z 0.1267568E-14 Laplacian 0.5639799E+00 (-1/4)Del**2(Rho)) -0.1409950E+00 Diamond 0.1004308E+01 Metallicity 0.4308228E+01 Ellipticity 0.1464286E-01 Gb(Abramov) 0.1952364E+00 Vb(Abramov) -0.2494778E+00 Hb(Abramov) -0.5424143E-01 Ex_ueg -0.5084065E-01 Ec_ueg -0.7451917E-02 Delta_ex -0.5899525E-01 Delta_ec 0.1475548E-01 Delta_et -0.1933601E+00 Pxc 0.6822492E+01 Qxc -0.3998192E+01 3,-1 138 3 -1 2.699883 -1.528117 -1.996688 Rho 0.1328689E+00 |GRAD(Rho)| 0.6551302E-16 GRAD(Rho)x 0.3136055E-16 GRAD(Rho)y 0.4862647E-16 GRAD(Rho)z 0.3072358E-16 Laplacian 0.5212751E+00 (-1/4)Del**2(Rho)) -0.1303188E+00 Diamond 0.9092572E+00 Metallicity 0.4573534E+01 Ellipticity 0.3519836E-01 Gb(Abramov) 0.1862154E+00 Vb(Abramov) -0.2421120E+00 Hb(Abramov) -0.5589663E-01 Ex_ueg -0.5007446E-01 Ec_ueg -0.7356071E-02 Delta_ex -0.5430333E-01 Delta_ec 0.1354198E-01 Delta_et -0.1768808E+00 Pxc 0.6807229E+01 Qxc -0.4010001E+01 3,-1 139 3 -1 2.659905 -1.602041 1.969426 Rho 0.1800540E+00 |GRAD(Rho)| 0.2454133E-15 GRAD(Rho)x 0.1151965E-15 GRAD(Rho)y 0.2135878E-15 GRAD(Rho)z -0.3657488E-16 Laplacian 0.7011098E+00 (-1/4)Del**2(Rho)) -0.1752775E+00 Diamond 0.1769633E+01 Metallicity 0.5642847E+01 Ellipticity 0.4885090E-01 Gb(Abramov) 0.2816956E+00 Vb(Abramov) -0.3881138E+00 Hb(Abramov) -0.1064182E+00 Ex_ueg -0.7509113E-01 Ec_ueg -0.1039442E-01 Delta_ex -0.7879517E-01 Delta_ec 0.1698322E-01 Delta_et -0.2312135E+00 Pxc 0.7224175E+01 Qxc -0.4639588E+01 3,-1 140 3 -1 0.532854 -3.924849 2.230887 Rho 0.2216983E+00 |GRAD(Rho)| 0.2076899E-15 GRAD(Rho)x 0.6727474E-16 GRAD(Rho)y -0.8310410E-16 GRAD(Rho)z 0.1780531E-15 Laplacian 0.8053873E+00 (-1/4)Del**2(Rho)) -0.2013468E+00 Diamond 0.2599054E+01 Metallicity 0.6948306E+01 Ellipticity 0.1162724E-01 Gb(Abramov) 0.3674011E+00 Vb(Abramov) -0.5334554E+00 Hb(Abramov) -0.1660543E+00 Ex_ueg -0.9909874E-01 Ec_ueg -0.1318315E-01 Delta_ex -0.9537963E-01 Delta_ec 0.1831209E-01 Delta_et -0.2531795E+00 Pxc 0.7517076E+01 Qxc -0.5208561E+01 3,-1 141 3 -1 0.788926 -3.193139 -0.868505 Rho 0.1547064E+00 |GRAD(Rho)| 0.1635804E-15 GRAD(Rho)x 0.3544663E-16 GRAD(Rho)y -0.6273465E-16 GRAD(Rho)z 0.1468552E-15 Laplacian 0.6451042E+00 (-1/4)Del**2(Rho)) -0.1612760E+00 Diamond 0.1352391E+01 Metallicity 0.4762452E+01 Ellipticity 0.1920047E-01 Gb(Abramov) 0.2355289E+00 Vb(Abramov) -0.3097818E+00 Hb(Abramov) -0.7425288E-01 Ex_ueg -0.6133799E-01 Ec_ueg -0.8745471E-02 Delta_ex -0.6976591E-01 Delta_ec 0.1616816E-01 Delta_et -0.2159609E+00 Pxc 0.7013686E+01 Qxc -0.4315019E+01 3,-1 142 3 -1 1.873271 3.047189 -0.706003 Rho 0.1263781E+00 |GRAD(Rho)| 0.1391434E-13 GRAD(Rho)x 0.8981558E-14 GRAD(Rho)y -0.4919229E-14 GRAD(Rho)z 0.9420280E-14 Laplacian 0.5022799E+00 (-1/4)Del**2(Rho)) -0.1255700E+00 Diamond 0.8300794E+00 Metallicity 0.4366370E+01 Ellipticity 0.2917694E-01 Gb(Abramov) 0.1750942E+00 Vb(Abramov) -0.2246183E+00 Hb(Abramov) -0.4952418E-01 Ex_ueg -0.4683972E-01 Ec_ueg -0.6948999E-02 Delta_ex -0.5176017E-01 Delta_ec 0.1332043E-01 Delta_et -0.1727909E+00 Pxc 0.6740499E+01 Qxc -0.3885773E+01 3,-1 143 3 -1 1.872521 3.054464 0.705410 Rho 0.1287718E+00 |GRAD(Rho)| 0.1915374E-15 GRAD(Rho)x -0.7616520E-17 GRAD(Rho)y 0.7333272E-16 GRAD(Rho)z -0.1767792E-15 Laplacian 0.5132108E+00 (-1/4)Del**2(Rho)) -0.1283027E+00 Diamond 0.8678872E+00 Metallicity 0.4409122E+01 Ellipticity 0.3476531E-01 Gb(Abramov) 0.1798188E+00 Vb(Abramov) -0.2313350E+00 Hb(Abramov) -0.5151614E-01 Ex_ueg -0.4802634E-01 Ec_ueg -0.7098794E-02 Delta_ex -0.5313052E-01 Delta_ec 0.1355859E-01 Delta_et -0.1764440E+00 Pxc 0.6765423E+01 Qxc -0.3918588E+01 3,-1 144 3 -1 3.229851 3.137037 0.016377 Rho 0.2384568E+00 |GRAD(Rho)| 0.2125676E-15 GRAD(Rho)x -0.2109857E-15 GRAD(Rho)y -0.2553296E-16 GRAD(Rho)z -0.4250411E-17 Laplacian 0.8756640E+00 (-1/4)Del**2(Rho)) -0.2189160E+00 Diamond 0.3069462E+01 Metallicity 0.7215923E+01 Ellipticity 0.1629373E-02 Gb(Abramov) 0.4092242E+00 Vb(Abramov) -0.5995323E+00 Hb(Abramov) -0.1903082E+00 Ex_ueg -0.1092106E+00 Ec_ueg -0.1433250E-01 Delta_ex -0.1056009E+00 Delta_ec 0.1934701E-01 Delta_et -0.2677801E+00 Pxc 0.7619784E+01 Qxc -0.5458252E+01 3,-1 145 3 -1 -1.355383 2.584704 1.618592 Rho 0.1511376E+00 |GRAD(Rho)| 0.3648467E-13 GRAD(Rho)x -0.2075136E-14 GRAD(Rho)y -0.3026975E-13 GRAD(Rho)z -0.2026246E-13 Laplacian 0.5760515E+00 (-1/4)Del**2(Rho)) -0.1440129E+00 Diamond 0.1195943E+01 Metallicity 0.5129864E+01 Ellipticity 0.9441413E-01 Gb(Abramov) 0.2191363E+00 Vb(Abramov) -0.2942598E+00 Hb(Abramov) -0.7512346E-01 Ex_ueg -0.5945864E-01 Ec_ueg -0.8516375E-02 Delta_ex -0.6215441E-01 Delta_ec 0.1490407E-01 Delta_et -0.1993466E+00 Pxc 0.6981684E+01 Qxc -0.4170298E+01 3,-1 146 3 -1 -0.379651 -3.058751 -1.574962 Rho 0.1441433E+00 |GRAD(Rho)| 0.1446535E-13 GRAD(Rho)x 0.6794722E-14 GRAD(Rho)y -0.1120490E-13 GRAD(Rho)z -0.6126034E-14 Laplacian 0.5415209E+00 (-1/4)Del**2(Rho)) -0.1353802E+00 Diamond 0.1066241E+01 Metallicity 0.5042611E+01 Ellipticity 0.1108671E+00 Gb(Abramov) 0.2040318E+00 Vb(Abramov) -0.2726833E+00 Hb(Abramov) -0.6865156E-01 Ex_ueg -0.5581845E-01 Ec_ueg -0.8069662E-02 Delta_ex -0.5780041E-01 Delta_ec 0.1425261E-01 Delta_et -0.1894773E+00 Pxc 0.6917073E+01 Qxc -0.4055427E+01 3,-1 147 3 +1 1.101996 -0.371401 -2.405452 Rho 0.2047592E-01 |GRAD(Rho)| 0.5690760E-15 GRAD(Rho)x -0.2809307E-15 GRAD(Rho)y 0.8786475E-16 GRAD(Rho)z -0.4870372E-15 Laplacian 0.7998857E-01 (-1/4)Del**2(Rho)) -0.1999714E-01 Diamond 0.8911009E-02 Metallicity 0.1320254E+01 Ellipticity -0.5354167E+01 Gb(Abramov) 0.1773165E-01 Vb(Abramov) -0.1546615E-01 Hb(Abramov) 0.2265496E-02 Ex_ueg -0.4137229E-02 Ec_ueg -0.8637487E-03 Delta_ex -0.4854461E-02 Delta_ec 0.1600564E-02 Delta_et -0.1335830E-01 Pxc 0.4789853E+01 Qxc -0.3032968E+01 3,+1 148 3 -1 1.012958 -0.097308 3.483533 Rho 0.8387652E-01 |GRAD(Rho)| 0.2823284E-15 GRAD(Rho)x -0.2807542E-15 GRAD(Rho)y 0.3643565E-17 GRAD(Rho)z 0.2954959E-16 Laplacian 0.3402969E+00 (-1/4)Del**2(Rho)) -0.8507421E-01 Diamond 0.3385669E+00 Metallicity 0.3254537E+01 Ellipticity 0.5932693E-02 Gb(Abramov) 0.1028623E+00 Vb(Abramov) -0.1206505E+00 Hb(Abramov) -0.1778812E-01 Ex_ueg -0.2711683E-01 Ec_ueg -0.4359186E-02 Delta_ex -0.3176889E-01 Delta_ec 0.9713253E-02 Delta_et -0.1161815E+00 Pxc 0.6220617E+01 Qxc -0.3270675E+01 3,-1 149 3 -1 -1.350036 -3.022280 0.198185 Rho 0.4263706E-01 |GRAD(Rho)| 0.1458886E-13 GRAD(Rho)x 0.4221880E-14 GRAD(Rho)y 0.1234400E-13 GRAD(Rho)z -0.6529658E-14 Laplacian 0.1211642E+00 (-1/4)Del**2(Rho)) -0.3029105E-01 Diamond 0.7583636E-01 Metallicity 0.2959496E+01 Ellipticity 0.7093885E-02 Gb(Abramov) 0.3513507E-01 Vb(Abramov) -0.3997909E-01 Hb(Abramov) -0.4844021E-02 Ex_ueg -0.1100107E-01 Ec_ueg -0.2012114E-02 Delta_ex -0.1098922E-01 Delta_ec 0.6124241E-02 Delta_et -0.6231625E-01 Pxc 0.5467417E+01 Qxc -0.1794380E+01 3,-1 150 3 -1 -0.088893 0.036291 4.546384 Rho 0.2206683E+00 |GRAD(Rho)| 0.7822428E-15 GRAD(Rho)x 0.1440803E-16 GRAD(Rho)y 0.1215797E-15 GRAD(Rho)z 0.7726025E-15 Laplacian 0.8031981E+00 (-1/4)Del**2(Rho)) -0.2007995E+00 Diamond 0.2578423E+01 Metallicity 0.6913379E+01 Ellipticity 0.1594986E-01 Gb(Abramov) 0.3652336E+00 Vb(Abramov) -0.5296676E+00 Hb(Abramov) -0.1644340E+00 Ex_ueg -0.9848535E-01 Ec_ueg -0.1311301E-01 Delta_ex -0.9501138E-01 Delta_ec 0.1829624E-01 Delta_et -0.2529309E+00 Pxc 0.7510505E+01 Qxc -0.5192945E+01 3,-1 151 3 -1 0.718888 -3.917617 -2.223668 Rho 0.2375250E+00 |GRAD(Rho)| 0.6472566E-14 GRAD(Rho)x 0.2768212E-14 GRAD(Rho)y 0.5721118E-14 GRAD(Rho)z 0.1224715E-14 Laplacian 0.8677087E+00 (-1/4)Del**2(Rho)) -0.2169272E+00 Diamond 0.3031920E+01 Metallicity 0.7234715E+01 Ellipticity 0.2890169E-02 Gb(Abramov) 0.4061858E+00 Vb(Abramov) -0.5954445E+00 Hb(Abramov) -0.1892587E+00 Ex_ueg -0.1086419E+00 Ec_ueg -0.1426819E-01 Delta_ex -0.1045597E+00 Delta_ec 0.1923819E-01 Delta_et -0.2664321E+00 Pxc 0.7614275E+01 Qxc -0.5435007E+01 3,-1 152 3 -1 0.497300 3.298589 -1.507250 Rho 0.1498120E+00 |GRAD(Rho)| 0.5798747E-14 GRAD(Rho)x -0.2883002E-14 GRAD(Rho)y -0.4630641E-14 GRAD(Rho)z -0.1967468E-14 Laplacian 0.5908713E+00 (-1/4)Del**2(Rho)) -0.1477178E+00 Diamond 0.1196800E+01 Metallicity 0.4928307E+01 Ellipticity 0.3648872E-01 Gb(Abramov) 0.2198117E+00 Vb(Abramov) -0.2919055E+00 Hb(Abramov) -0.7209384E-01 Ex_ueg -0.5876431E-01 Ec_ueg -0.8431477E-02 Delta_ex -0.6344644E-01 Delta_ec 0.1501785E-01 Delta_et -0.1999316E+00 Pxc 0.6969634E+01 Qxc -0.4224736E+01 3,-1 153 3 -1 -1.376109 -3.012628 -0.598973 Rho 0.3125142E+00 |GRAD(Rho)| 0.7971433E-15 GRAD(Rho)x 0.1434890E-15 GRAD(Rho)y -0.5705083E-15 GRAD(Rho)z -0.5379299E-15 Laplacian -0.1554089E+01 (-1/4)Del**2(Rho)) 0.3885223E+00 Diamond 0.5359355E+01 Metallicity -0.6381460E+01 Ellipticity 0.5183499E-02 Gb(Abramov) 0.1542084E+00 Vb(Abramov) -0.6969391E+00 Hb(Abramov) -0.5427307E+00 Ex_ueg -0.1566311E+00 Ec_ueg -0.1959607E-01 Delta_ex 0.1530271E+00 Delta_ec 0.5475931E-01 Delta_et -0.1285354E+01 Pxc 0.7992984E+01 Qxc 0.2794541E+01 3,-1 154 3 -1 3.124026 -0.720441 -0.922348 Rho 0.1321583E+00 |GRAD(Rho)| 0.7484964E-15 GRAD(Rho)x -0.7775593E-16 GRAD(Rho)y 0.3901095E-16 GRAD(Rho)z -0.7434239E-15 Laplacian 0.5605012E+00 (-1/4)Del**2(Rho)) -0.1401253E+00 Diamond 0.9608061E+00 Metallicity 0.4215615E+01 Ellipticity 0.1253806E-01 Gb(Abramov) 0.1918693E+00 Vb(Abramov) -0.2436132E+00 Hb(Abramov) -0.5174396E-01 Ex_ueg -0.4971772E-01 Ec_ueg -0.7311371E-02 Delta_ex -0.5818900E-01 Delta_ec 0.1435674E-01 Delta_et -0.1869353E+00 Pxc 0.6800054E+01 Qxc -0.4053078E+01 3,-1 155 3 -1 -0.499699 -3.060651 1.584830 Rho 0.2039200E+00 |GRAD(Rho)| 0.1251450E-12 GRAD(Rho)x 0.1091862E-12 GRAD(Rho)y -0.1003725E-13 GRAD(Rho)z 0.6032341E-13 Laplacian 0.7735005E+00 (-1/4)Del**2(Rho)) -0.1933751E+00 Diamond 0.2235945E+01 Metallicity 0.6293886E+01 Ellipticity 0.2249262E-01 Gb(Abramov) 0.3317636E+00 Vb(Abramov) -0.4701520E+00 Hb(Abramov) -0.1383885E+00 Ex_ueg -0.8864715E-01 Ec_ueg -0.1198077E-01 Delta_ex -0.8951227E-01 Delta_ec 0.1774996E-01 Delta_et -0.2431368E+00 Pxc 0.7399119E+01 Qxc -0.5042955E+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 66 120 141 146 123 135 151 118 71 145 127 59 126 62 88 137 93 139 125 113 131 69 103 104 129 144 81 110 111 142 143 150 117 105 68 128 148 119 155 136 134 121 140 90 94 154 124 138 112 64 72 56 60 152 57 132 115 98 97 66 130 149 53 96 99 100 153 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 17 19 21 21 23 26 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 47 23 28 46 45 47 2.459545 1.902020 1.948031 1.949816 1.924429 1.747423 1.749219 2.459000 1.926487 1.915526 1.963507 1.927800 1.741888 2.552712 1.956666 2.044985 1.852435 1.857061 1.751422 2.460274 1.951177 1.748419 2.182725 1.998492 1.745777 2.423516 1.891106 1.863000 1.992132 1.983910 1.748951 2.485720 1.753170 1.970063 1.992559 2.136118 2.487302 1.780736 1.994594 1.927693 2.125621 1.747116 2.642370 1.990100 1.939372 1.841444 1.946713 1.739384 2.439054 1.934045 1.929132 1.742246 1.924437 1.947432 1.573692 1.532033 1.709267 1.716192 1.607422 1.573237 1.720973 2.908698 2.907248 1.009039 1.010444 1.002808 2.460655 1.902595 1.948946 1.950334 1.925025 1.747428 1.749254 2.460112 1.927718 1.916030 1.964045 1.928330 1.741892 2.553850 1.957133 2.045342 1.852768 1.857456 1.751428 2.461550 1.951646 1.748499 2.183454 1.999304 1.745783 2.424696 1.891545 1.863421 1.992698 1.984466 1.748989 2.486951 1.753293 1.970525 1.993287 2.136918 2.488365 1.780955 1.995078 1.928403 2.126416 1.747152 2.643191 1.990756 1.940022 1.842006 1.947325 1.739394 2.440226 1.934594 1.930446 1.742248 1.924958 1.947943 1.573706 1.532099 1.714664 1.721935 1.607450 1.573247 1.724770 2.917058 2.915327 1.009115 1.010522 1.002884 29 23 24 23 23 21 24 27 23 23 23 23 22 29 23 26 22 22 20 27 24 22 25 24 21 27 23 22 23 23 23 29 22 26 23 25 29 22 23 23 26 22 29 26 23 22 23 20 27 25 27 20 23 23 21 19 23 24 23 22 22 31 31 18 18 17 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 W O W W Mo W Mo O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H H 2.4146 -0.7687 2.4381 2.4032 2.2151 2.4778 2.1941 -0.8154 -0.7695 2.2041 2.2609 2.4352 -1.0292 -0.9178 -1.0741 -1.0282 -0.8002 -0.9508 -0.7306 -0.9376 -0.7850 -0.9438 -0.7845 -0.9488 -0.9494 -0.8116 -0.9521 -0.7268 -0.8939 -0.8078 -0.9803 -0.9419 -0.9460 -0.9698 -0.9456 2.1919 -0.7657 -0.9517 -0.9601 -0.9820 -0.8178 -0.7561 -0.8074 -0.8365 0.2838 0.2823 0.2855 2.1063 1.9673 2.1012 2.1033 1.9899 2.0874 1.9932 1.9613 1.9674 1.9853 1.9704 2.1027 1.8971 1.9121 1.8941 1.8976 1.9668 1.9333 1.9730 1.9342 1.8766 1.9338 1.8769 1.9339 1.9327 1.8766 1.9352 1.9735 1.9514 1.9620 1.9402 1.9428 1.9409 1.9379 1.9436 2.5554 1.9678 1.9436 1.9426 1.9401 1.9596 1.9710 1.9624 1.9583 0.5532 0.5553 0.5556 6.1156 4.7712 6.1036 6.1064 6.1093 6.0857 6.1199 4.8198 4.7719 6.1208 6.1029 6.1036 5.0948 4.9636 5.1415 5.0932 4.8033 4.9904 4.7270 4.9747 4.8775 4.9839 4.8766 4.9868 4.9894 4.9042 4.9866 4.7221 4.9161 4.8111 5.0091 4.9720 4.9754 5.0002 4.9723 7.4358 4.7675 4.9797 4.9890 5.0108 4.8243 4.7534 4.8102 4.8447 0.1630 0.1624 0.1590 3.3341 0.0302 3.3279 3.3578 3.6857 3.3193 3.6928 0.0343 0.0302 3.6898 3.6659 3.3294 0.0373 0.0420 0.0384 0.0375 0.0301 0.0271 0.0306 0.0287 0.0309 0.0262 0.0310 0.0281 0.0273 0.0307 0.0304 0.0312 0.0264 0.0347 0.0310 0.0270 0.0297 0.0318 0.0297 0.8170 0.0304 0.0285 0.0285 0.0312 0.0340 0.0317 0.0348 0.0335 0.0000 0.0000 0.0000 14.0294 0.0000 14.0291 14.0293 0.0000 14.0297 0.0000 0.0000 0.0000 0.0000 0.0000 14.0291 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 W O W W Mo W Mo O O Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O O O O H H H 2.511080 -1.046029 2.506586 2.493438 3.144130 2.509999 3.144526 -0.854341 -1.048048 3.149268 3.170290 2.507852 -1.084407 -0.794467 -1.040073 -1.093762 -0.978064 -1.094410 -1.007346 -1.072972 -0.630939 -1.099882 -0.630297 -1.072500 -1.088666 -0.650116 -0.959084 -1.001760 -1.162379 -0.845069 -0.965729 -1.200789 -1.084725 -0.968648 -1.044005 1.996569 -1.045045 -1.049794 -1.065805 -0.966201 -0.862091 -1.031092 -0.844176 -0.879904 0.046192 0.045324 0.037362 1.959123 -0.835592 1.949947 1.940450 2.345195 1.942328 2.344107 -0.758846 -0.837546 2.338828 2.356573 1.949160 -0.827103 -0.672132 -0.740118 -0.838096 -0.806480 -0.827738 -0.809713 -0.834506 -0.779342 -0.825920 -0.777174 -0.823926 -0.830494 -0.803486 -0.734931 -0.795399 -0.966701 -0.733152 -0.789857 -0.967654 -0.870142 -0.783987 -0.879890 1.572587 -0.832476 -0.888811 -0.856798 -0.789240 -0.751862 -0.816230 -0.731610 -0.781325 0.304135 0.305019 0.290825 2.083505 -0.813397 2.036077 2.038576 2.427753 2.044802 2.431698 -0.719980 -0.813779 2.442753 2.446723 2.035542 -0.890263 -0.672189 -0.821893 -0.877753 -0.863298 -0.905060 -0.827764 -0.904747 -0.827620 -0.919841 -0.824610 -0.909461 -0.908312 -0.832602 -0.807473 -0.810561 -0.988686 -0.712650 -0.831348 -1.037546 -0.913554 -0.825809 -0.900783 1.535046 -0.814234 -0.917504 -0.924395 -0.833687 -0.741904 -0.781373 -0.710260 -0.749522 0.378109 0.376014 0.357261 -19.29997661 -0.58419342 -1.06799894 19.33832984 61.89630377 17.88744183 -5.04247371 -24.01458371 -0.24168812 -37.88172005 -308.4497 352.7115 -58.7789 -338.3010 -44.7336 -397.5517 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 Apr26-2024 04:12:37 Nodes: 1 Procs: 1 0 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Apr26-2024 04:12:38 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr26-2024 04:12:39 Nodes: 1 Procs: 1 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr26-2024 04:12:40 Nodes: 1 Procs: 1 Apr26-2024 04:12:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr26-2024 04:12:41 Nodes: 1 Procs: 1 Apr26-2024 04:12:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr26-2024 04:12:44 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -14.53218544 -14.58543289 -14.60209678 -14.60145721 -14.60530715 -14.60633660 -14.60740153 -14.60794191 -14.60856603 -14.60907938 -14.60930727 -14.60943635 -14.60968147 -14.60971154 -14.60971922 -14.60973501 -14.60974465 -14.60975665 GEOMETRY CONVERGED