ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.02 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 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.03 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 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.02 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 05:48:07 Nodes: 1 Procs: 1 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.52 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 05:48:07 Nodes: 1 Procs: 1 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Apr29-2024 05:48:09 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:09 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) 1.35 0.02 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 05:48:07 Nodes: 1 Procs: 1 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Apr29-2024 05:48:09 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 05:48:09 Nodes: 1 Procs: 1 Apr29-2024 05:48:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr29-2024 05:48:12 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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2.545023 2.463398 -0.046943 -2.637516 0.847928 -0.959726 0.859842 -1.015263 -0.922869 -0.899066 0.862557 0.822473 -0.946032 -0.900005 0.889818 0.902957 -2.991537 -1.136619 1.182348 2.988950 -1.194394 -1.166316 -3.038921 1.168722 -1.117099 2.997959 1.188854 1.208477 1.306086 -1.161460 -3.327152 1.127330 1.154519 3.019273 -1.182115 1.175082 -3.026111 -1.181929 -1.164540 3.081376 -1.155739 3.029924 -1.121248 -1.203139 -3.023141 1.243345 1.179562 3.047869 1.178803 1.169420 -3.261422 -1.072725 3.328689 -1.481313 1.527550 -3.426328 -1.558389 -1.538815 3.398819 1.511193 -1.455244 -3.396598 1.494946 1.555380 1.444088 -1.471530 3.438346 1.524941 1.545553 -3.368072 -1.496595 1.504002 3.438526 -1.752928 -1.438616 -3.738941 -1.505800 -3.587153 -1.292758 -1.503125 3.365621 1.534663 1.506311 -3.403367 1.597903 1.480021 3.395388 -1.442051 -0.223568 -3.767554 3.806547 3.836275 -0.166241 -3.722704 -0.203740 3.750502 -3.711579 0.235329 3.779532 3.749264 3.743897 -3.761682 -0.171223 3.787188 3.746125 0.185735 -3.767035 3.718616 -0.189691 -3.830100 -3.642074 0.227263 -3.851024 0.296936 -3.674713 -3.731830 -0.184145 3.798409 3.716429 0.173729 3.775558 -0.519498 -3.377756 -1.275589 1 3 -3 0.076992 -2.590381 2.573491 Rho 0.1240650E+06 3,-3 2 3 -3 0.088465 2.515881 -2.533683 Rho 0.1240649E+06 3,-3 3 3 -3 -0.060575 2.591805 2.520489 Rho 0.1240650E+06 3,-3 4 3 -3 -2.503468 -0.249093 -2.710216 Rho 0.1240648E+06 3,-3 5 3 -3 -0.067273 -0.056203 -0.039526 Rho 0.2439539E+04 3,-3 6 3 -3 2.426687 -2.622103 0.003975 Rho 0.4361415E+07 3,-3 7 3 -3 2.597014 2.515338 -0.139608 Rho 0.4361415E+07 3,-3 8 3 -3 -2.571558 2.469520 0.064851 Rho 0.4361414E+07 3,-3 9 3 -3 -2.565608 -2.493812 -0.112065 Rho 0.4361414E+07 3,-3 10 3 -3 -2.503350 0.128965 2.604649 Rho 0.4361414E+07 3,-3 11 3 -3 2.522814 -0.137684 2.545023 Rho 0.4361415E+07 3,-3 12 3 -3 2.463398 -0.046943 -2.637516 Rho 0.4361415E+07 3,-3 13 3 -3 0.847928 -0.959726 0.859842 Rho 0.3187875E+03 3,-3 14 3 -3 -1.015263 -0.922869 -0.899066 Rho 0.3187867E+03 3,-3 15 3 -3 0.862557 0.822473 -0.946032 Rho 0.3187928E+03 3,-3 16 3 -3 -0.900005 0.889818 0.902957 Rho 0.3187798E+03 3,-3 17 3 -3 -2.991537 -1.136619 1.182348 Rho 0.3188760E+03 3,-3 18 3 -3 2.988950 -1.194394 -1.166316 Rho 0.3188153E+03 3,-3 19 3 -3 -3.038921 1.168722 -1.117099 Rho 0.3190446E+03 3,-3 20 3 -3 2.997959 1.188854 1.208477 Rho 0.3188508E+03 3,-3 21 3 -3 1.306086 -1.161460 -3.327152 Rho 0.3193402E+03 3,-3 22 3 -3 1.127330 1.154519 3.019273 Rho 0.3189454E+03 3,-3 23 3 -3 -1.182115 1.175082 -3.026111 Rho 0.3189729E+03 3,-3 24 3 -3 -1.181929 -1.164540 3.081376 Rho 0.3189339E+03 3,-3 25 3 -3 -1.155739 3.029924 -1.121248 Rho 0.3189316E+03 3,-3 26 3 -3 -1.203139 -3.023141 1.243345 Rho 0.3189603E+03 3,-3 27 3 -3 1.179562 3.047869 1.178803 Rho 0.3189737E+03 3,-3 28 3 -3 1.169420 -3.261422 -1.072725 Rho 0.3192079E+03 3,-3 29 3 -3 3.328689 -1.481313 1.527550 Rho 0.3189959E+03 3,-3 30 3 -3 -3.426328 -1.558389 -1.538815 Rho 0.3189729E+03 3,-3 31 3 -3 3.398819 1.511193 -1.455244 Rho 0.3190341E+03 3,-3 32 3 -3 -3.396598 1.494946 1.555380 Rho 0.3189375E+03 3,-3 33 3 -3 1.444088 -1.471530 3.438346 Rho 0.3189928E+03 3,-3 34 3 -3 1.524941 1.545553 -3.368072 Rho 0.3189992E+03 3,-3 35 3 -3 -1.496595 1.504002 3.438526 Rho 0.3190012E+03 3,-3 36 3 -3 -1.752928 -1.438616 -3.738941 Rho 0.3194437E+03 3,-3 37 3 -3 -1.505800 -3.587153 -1.292758 Rho 0.3187258E+03 3,-3 38 3 -3 -1.503125 3.365621 1.534663 Rho 0.3190315E+03 3,-3 39 3 -3 1.506311 -3.403367 1.597903 Rho 0.3190106E+03 3,-3 40 3 -3 1.480021 3.395388 -1.442051 Rho 0.3189910E+03 3,-3 41 3 -3 -0.223568 -3.767554 3.806547 Rho 0.3194401E+03 3,-3 42 3 -3 3.836275 -0.166241 -3.722704 Rho 0.3192486E+03 3,-3 43 3 -3 -0.203740 3.750502 -3.711579 Rho 0.3194448E+03 3,-3 44 3 -3 0.235329 3.779532 3.749264 Rho 0.3194222E+03 3,-3 45 3 -3 3.743897 -3.761682 -0.171223 Rho 0.3192624E+03 3,-3 46 3 -3 3.787188 3.746125 0.185735 Rho 0.3192938E+03 3,-3 47 3 -3 -3.767035 3.718616 -0.189691 Rho 0.3192755E+03 3,-3 48 3 -3 -3.830100 -3.642074 0.227263 Rho 0.3193086E+03 3,-3 49 3 -3 -3.851024 0.296936 -3.674713 Rho 0.3193910E+03 3,-3 50 3 -3 -3.731830 -0.184145 3.798409 Rho 0.3193024E+03 3,-3 51 3 -3 3.716429 0.173729 3.775558 Rho 0.3192949E+03 3,-3 52 3 -3 -0.519498 -3.377756 -1.275589 Rho 0.4264206E+00 3,-3 53 3 +1 -1.764786 -1.750860 1.815160 Rho 0.1236440E-01 |GRAD(Rho)| 0.6068582E-17 GRAD(Rho)x -0.2484692E-17 GRAD(Rho)y -0.2555472E-17 GRAD(Rho)z 0.4911573E-17 Laplacian 0.6194374E-01 (-1/4)Del**2(Rho)) -0.1548593E-01 Diamond 0.2556136E-02 Metallicity 0.7354801E+00 Ellipticity -0.1246065E+01 Gb(Abramov) 0.1222222E-01 Vb(Abramov) -0.8958511E-02 Hb(Abramov) 0.3263712E-02 Ex_ueg -0.2111621E-02 Ec_ueg -0.4764171E-03 Delta_ex -0.3060646E-02 Delta_ec 0.7891901E-03 Delta_et -0.5972222E-02 Pxc 0.4432294E+01 Qxc -0.3878212E+01 3,+1 54 3 +1 -0.556435 -0.576112 1.706313 Rho 0.8060132E-02 |GRAD(Rho)| 0.1969767E-16 GRAD(Rho)x -0.1809774E-16 GRAD(Rho)y -0.1396019E-17 GRAD(Rho)z -0.7649919E-17 Laplacian 0.3324903E-01 (-1/4)Del**2(Rho)) -0.8312257E-02 Diamond 0.8614539E-03 Metallicity 0.6715389E+00 Ellipticity -0.1418352E+01 Gb(Abramov) 0.6471838E-02 Vb(Abramov) -0.4631420E-02 Hb(Abramov) 0.1840418E-02 Ex_ueg -0.1193552E-02 Ec_ueg -0.2808901E-03 Delta_ex -0.1517323E-02 Delta_ec 0.5089873E-03 Delta_et -0.3387227E-02 Pxc 0.4249178E+01 Qxc -0.2981063E+01 3,+1 55 3 -1 -0.224466 -1.283352 -3.504655 Rho 0.5893850E-02 |GRAD(Rho)| 0.1574625E-17 GRAD(Rho)x 0.1112763E-17 GRAD(Rho)y 0.7020844E-18 GRAD(Rho)z 0.8650324E-18 Laplacian 0.2375277E-01 (-1/4)Del**2(Rho)) -0.5938193E-02 Diamond 0.1068651E-02 Metallicity 0.5579098E+00 Ellipticity 0.1097685E+00 Gb(Abramov) 0.4510958E-02 Vb(Abramov) -0.3083723E-02 Hb(Abramov) 0.1427235E-02 Ex_ueg -0.7862920E-03 Ec_ueg -0.1855793E-03 Delta_ex -0.1501093E-02 Delta_ec 0.1250681E-02 Delta_et -0.6936714E-02 Pxc 0.4236959E+01 Qxc -0.1200221E+01 3,-1 56 3 -1 -3.005577 -1.985981 -0.875350 Rho 0.1546228E+00 |GRAD(Rho)| 0.2113361E-15 GRAD(Rho)x 0.5549760E-16 GRAD(Rho)y 0.1879329E-15 GRAD(Rho)z -0.7914676E-16 Laplacian 0.6104420E+00 (-1/4)Del**2(Rho)) -0.1526105E+00 Diamond 0.1288833E+01 Metallicity 0.5028341E+01 Ellipticity 0.6536582E-01 Gb(Abramov) 0.2296366E+00 Vb(Abramov) -0.3066627E+00 Hb(Abramov) -0.7702611E-01 Ex_ueg -0.6129380E-01 Ec_ueg -0.8740095E-02 Delta_ex -0.6610355E-01 Delta_ec 0.1547123E-01 Delta_et -0.2070480E+00 Pxc 0.7012944E+01 Qxc -0.4272676E+01 3,-1 57 3 -1 -2.774285 -1.768686 0.580103 Rho 0.1460497E+00 |GRAD(Rho)| 0.3674393E-12 GRAD(Rho)x 0.2661010E-12 GRAD(Rho)y -0.2531512E-12 GRAD(Rho)z 0.1078675E-13 Laplacian 0.6135943E+00 (-1/4)Del**2(Rho)) -0.1533986E+00 Diamond 0.1202498E+01 Metallicity 0.4548830E+01 Ellipticity 0.1642695E-01 Gb(Abramov) 0.2185631E+00 Vb(Abramov) -0.2837276E+00 Hb(Abramov) -0.6516449E-01 Ex_ueg -0.5680493E-01 Ec_ueg -0.8191121E-02 Delta_ex -0.6544634E-01 Delta_ec 0.1563968E-01 Delta_et -0.2073404E+00 Pxc 0.6934940E+01 Qxc -0.4184633E+01 3,-1 58 3 +1 -2.902526 -0.220222 -0.228613 Rho 0.5297631E-02 |GRAD(Rho)| 0.2560371E-16 GRAD(Rho)x -0.5875232E-18 GRAD(Rho)y -0.2029532E-16 GRAD(Rho)z -0.1559823E-16 Laplacian 0.2184963E-01 (-1/4)Del**2(Rho)) -0.5462407E-02 Diamond 0.4480126E-03 Metallicity 0.5077368E+00 Ellipticity -0.1655266E+01 Gb(Abramov) 0.4103849E-02 Vb(Abramov) -0.2745291E-02 Hb(Abramov) 0.1358558E-02 Ex_ueg -0.6820675E-03 Ec_ueg -0.1597435E-03 Delta_ex -0.1010281E-02 Delta_ec 0.5303743E-03 Delta_et -0.2994107E-02 Pxc 0.4269767E+01 Qxc -0.1904844E+01 3,+1 59 3 -1 -1.977560 -3.059453 -0.729650 Rho 0.1516407E+00 |GRAD(Rho)| 0.2824865E-15 GRAD(Rho)x 0.2004961E-15 GRAD(Rho)y -0.6909078E-16 GRAD(Rho)z -0.1866183E-15 Laplacian 0.5703945E+00 (-1/4)Del**2(Rho)) -0.1425986E+00 Diamond 0.1197049E+01 Metallicity 0.5209516E+01 Ellipticity 0.1141506E+00 Gb(Abramov) 0.2188774E+00 Vb(Abramov) -0.2951561E+00 Hb(Abramov) -0.7627875E-01 Ex_ueg -0.5972268E-01 Ec_ueg -0.8548623E-02 Delta_ex -0.6167383E-01 Delta_ec 0.1488785E-01 Delta_et -0.1995505E+00 Pxc 0.6986234E+01 Qxc -0.4142561E+01 3,-1 60 3 -1 -1.838290 -2.757366 0.605369 Rho 0.1227242E+00 |GRAD(Rho)| 0.2287146E-15 GRAD(Rho)x -0.1649885E-15 GRAD(Rho)y -0.8489642E-16 GRAD(Rho)z -0.1337228E-15 Laplacian 0.5090249E+00 (-1/4)Del**2(Rho)) -0.1272562E+00 Diamond 0.8174554E+00 Metallicity 0.4102903E+01 Ellipticity 0.2005964E-01 Gb(Abramov) 0.1718575E+00 Vb(Abramov) -0.2164587E+00 Hb(Abramov) -0.4460124E-01 Ex_ueg -0.4504280E-01 Ec_ueg -0.6721087E-02 Delta_ex -0.5215790E-01 Delta_ec 0.1371799E-01 Delta_et -0.1772786E+00 Pxc 0.6701714E+01 Qxc -0.3802155E+01 3,-1 61 3 +1 -2.174955 -1.046672 -1.419364 Rho 0.2625084E-01 |GRAD(Rho)| 0.2556716E-15 GRAD(Rho)x -0.5523333E-16 GRAD(Rho)y 0.1360619E-15 GRAD(Rho)z -0.2092950E-15 Laplacian 0.1058444E+00 (-1/4)Del**2(Rho)) -0.2646110E-01 Diamond 0.1385246E-01 Metallicity 0.1509560E+01 Ellipticity -0.2627838E+01 Gb(Abramov) 0.2429817E-01 Vb(Abramov) -0.2213524E-01 Hb(Abramov) 0.2162928E-02 Ex_ueg -0.5762035E-02 Ec_ueg -0.1151896E-02 Delta_ex -0.6572471E-02 Delta_ec 0.1622881E-02 Delta_et -0.1453093E-01 Pxc 0.5002219E+01 Qxc -0.4049878E+01 3,+1 62 3 +1 0.068258 -3.057523 0.173875 Rho 0.5134963E-02 |GRAD(Rho)| 0.9612574E-17 GRAD(Rho)x 0.3239054E-17 GRAD(Rho)y -0.1694066E-17 GRAD(Rho)z -0.8890458E-17 Laplacian 0.2096278E-01 (-1/4)Del**2(Rho)) -0.5240696E-02 Diamond 0.4994578E-03 Metallicity 0.5024116E+00 Ellipticity -0.2746677E+01 Gb(Abramov) 0.3932628E-02 Vb(Abramov) -0.2624561E-02 Hb(Abramov) 0.1308068E-02 Ex_ueg -0.6542867E-03 Ec_ueg -0.1527254E-03 Delta_ex -0.1041161E-02 Delta_ec 0.6485538E-03 Delta_et -0.3555124E-02 Pxc 0.4284073E+01 Qxc -0.1605357E+01 3,+1 63 3 +1 -0.540447 1.658881 -0.559295 Rho 0.8568343E-02 |GRAD(Rho)| 0.1036447E-16 GRAD(Rho)x 0.1282495E-17 GRAD(Rho)y 0.7865956E-17 GRAD(Rho)z -0.6626020E-17 Laplacian 0.3545984E-01 (-1/4)Del**2(Rho)) -0.8864961E-02 Diamond 0.9870589E-03 Metallicity 0.6972220E+00 Ellipticity -0.1426689E+01 Gb(Abramov) 0.6940115E-02 Vb(Abramov) -0.5015269E-02 Hb(Abramov) 0.1924846E-02 Ex_ueg -0.1294934E-02 Ec_ueg -0.3035639E-03 Delta_ex -0.1637842E-02 Delta_ec 0.5336317E-03 Delta_et -0.3615706E-02 Pxc 0.4265769E+01 Qxc -0.3069237E+01 3,+1 64 3 -1 1.332967 -2.138296 -2.128790 Rho 0.6748628E-02 |GRAD(Rho)| 0.4957975E-16 GRAD(Rho)x 0.3848833E-16 GRAD(Rho)y 0.2566340E-16 GRAD(Rho)z 0.1783788E-16 Laplacian 0.2762782E-01 (-1/4)Del**2(Rho)) -0.6906956E-02 Diamond 0.1230272E-02 Metallicity 0.6011169E+00 Ellipticity 0.9735950E+00 Gb(Abramov) 0.5296619E-02 Vb(Abramov) -0.3686281E-02 Hb(Abramov) 0.1610337E-02 Ex_ueg -0.9419020E-03 Ec_ueg -0.2229225E-03 Delta_ex -0.1622753E-02 Delta_ec 0.1165273E-02 Delta_et -0.6808908E-02 Pxc 0.4225244E+01 Qxc -0.1392595E+01 3,-1 65 3 +1 -0.617771 -1.709356 0.548290 Rho 0.8755468E-02 |GRAD(Rho)| 0.4770490E-15 GRAD(Rho)x 0.3196561E-15 GRAD(Rho)y -0.6688596E-16 GRAD(Rho)z 0.3477384E-15 Laplacian 0.3629014E-01 (-1/4)Del**2(Rho)) -0.9072536E-02 Diamond 0.1045957E-02 Metallicity 0.7062473E+00 Ellipticity -0.1440503E+01 Gb(Abramov) 0.7116266E-02 Vb(Abramov) -0.5159996E-02 Hb(Abramov) 0.1956270E-02 Ex_ueg -0.1332777E-02 Ec_ueg -0.3119415E-03 Delta_ex -0.1687757E-02 Delta_ec 0.5505463E-03 Delta_et -0.3748102E-02 Pxc 0.4272522E+01 Qxc -0.3065604E+01 3,+1 66 3 +1 -0.619705 0.489267 -1.705632 Rho 0.8461013E-02 |GRAD(Rho)| 0.7274834E-17 GRAD(Rho)x -0.2597684E-17 GRAD(Rho)y -0.2960744E-17 GRAD(Rho)z 0.6116309E-17 Laplacian 0.3557113E-01 (-1/4)Del**2(Rho)) -0.8892781E-02 Diamond 0.1025608E-02 Metallicity 0.6805910E+00 Ellipticity -0.1463394E+01 Gb(Abramov) 0.6937245E-02 Vb(Abramov) -0.4981709E-02 Hb(Abramov) 0.1955536E-02 Ex_ueg -0.1273351E-02 Ec_ueg -0.2987658E-03 Delta_ex -0.1661897E-02 Delta_ec 0.5783035E-03 Delta_et -0.3872657E-02 Pxc 0.4262039E+01 Qxc -0.2873745E+01 3,+1 67 3 -1 0.038368 -3.344585 -1.199680 Rho 0.4302251E-01 |GRAD(Rho)| 0.8537119E-16 GRAD(Rho)x -0.8028564E-16 GRAD(Rho)y 0.2798695E-16 GRAD(Rho)z -0.7693268E-17 Laplacian 0.1210052E+00 (-1/4)Del**2(Rho)) -0.3025130E-01 Diamond 0.8153494E-01 Metallicity 0.3008167E+01 Ellipticity 0.7560668E-02 Gb(Abramov) 0.3533436E-01 Vb(Abramov) -0.4041742E-01 Hb(Abramov) -0.5083062E-02 Ex_ueg -0.1113387E-01 Ec_ueg -0.2032978E-02 Delta_ex -0.1125284E-01 Delta_ec 0.6574079E-02 Delta_et -0.6711588E-01 Pxc 0.5476629E+01 Qxc -0.1711699E+01 3,-1 68 3 +1 1.517140 -2.017050 -2.003790 Rho 0.6642457E-02 |GRAD(Rho)| 0.1374097E-16 GRAD(Rho)x 0.1163823E-17 GRAD(Rho)y -0.9024713E-17 GRAD(Rho)z 0.1029632E-16 Laplacian 0.2912687E-01 (-1/4)Del**2(Rho)) -0.7281717E-02 Diamond 0.9414515E-03 Metallicity 0.5553080E+00 Ellipticity -0.2338231E+01 Gb(Abramov) 0.5528411E-02 Vb(Abramov) -0.3775104E-02 Hb(Abramov) 0.1753306E-02 Ex_ueg -0.9221963E-03 Ec_ueg -0.2182650E-03 Delta_ex -0.1497212E-02 Delta_ec 0.8559020E-03 Delta_et -0.5084638E-02 Pxc 0.4225121E+01 Qxc -0.1749279E+01 3,+1 69 3 +1 1.081450 -2.159388 1.268586 Rho 0.2433062E-01 |GRAD(Rho)| 0.4511436E-16 GRAD(Rho)x 0.5311814E-17 GRAD(Rho)y -0.3730669E-16 GRAD(Rho)z 0.2480525E-16 Laplacian 0.9747799E-01 (-1/4)Del**2(Rho)) -0.2436950E-01 Diamond 0.1354453E-01 Metallicity 0.1444204E+01 Ellipticity -0.6674472E+01 Gb(Abramov) 0.2211209E-01 Vb(Abramov) -0.1985468E-01 Hb(Abramov) 0.2257411E-02 Ex_ueg -0.5207021E-02 Ec_ueg -0.1055071E-02 Delta_ex -0.6161074E-02 Delta_ec 0.1908051E-02 Delta_et -0.1666736E-01 Pxc 0.4935231E+01 Qxc -0.3228988E+01 3,+1 70 3 -1 -1.730212 -0.566344 -1.767194 Rho 0.3956911E-01 |GRAD(Rho)| 0.4225646E-16 GRAD(Rho)x -0.4173268E-16 GRAD(Rho)y -0.4953396E-17 GRAD(Rho)z -0.4410924E-17 Laplacian 0.1605821E+00 (-1/4)Del**2(Rho)) -0.4014553E-01 Diamond 0.6229437E-01 Metallicity 0.1971710E+01 Ellipticity 0.2834227E-01 Gb(Abramov) 0.3995625E-01 Vb(Abramov) -0.3976696E-01 Hb(Abramov) 0.1892852E-03 Ex_ueg -0.9958488E-02 Ec_ueg -0.1846975E-02 Delta_ex -0.1264879E-01 Delta_ec 0.5115402E-02 Delta_et -0.5072466E-01 Pxc 0.5391783E+01 Qxc -0.2472688E+01 3,-1 71 3 -1 -0.403260 0.325928 0.341535 Rho 0.1956361E+00 |GRAD(Rho)| 0.5986052E-12 GRAD(Rho)x 0.3206966E-12 GRAD(Rho)y -0.3577228E-12 GRAD(Rho)z -0.3570942E-12 Laplacian 0.6496956E+00 (-1/4)Del**2(Rho)) -0.1624239E+00 Diamond 0.2007986E+01 Metallicity 0.6992806E+01 Ellipticity 0.3292703E-02 Gb(Abramov) 0.2975824E+00 Vb(Abramov) -0.4327409E+00 Hb(Abramov) -0.1351585E+00 Ex_ueg -0.8387843E-01 Ec_ueg -0.1142651E-01 Delta_ex -0.7593792E-01 Delta_ec 0.1784157E-01 Delta_et -0.2530360E+00 Pxc 0.7340685E+01 Qxc -0.4256236E+01 3,-1 72 3 +1 0.562647 1.686358 0.497458 Rho 0.7380768E-02 |GRAD(Rho)| 0.9650004E-17 GRAD(Rho)x -0.6585829E-17 GRAD(Rho)y 0.5422124E-17 GRAD(Rho)z -0.4511097E-17 Laplacian 0.3015030E-01 (-1/4)Del**2(Rho)) -0.7537575E-02 Diamond 0.7065313E-03 Metallicity 0.6394759E+00 Ellipticity -0.1416555E+01 Gb(Abramov) 0.5828399E-02 Vb(Abramov) -0.4119224E-02 Hb(Abramov) 0.1709175E-02 Ex_ueg -0.1061338E-02 Ec_ueg -0.2507631E-03 Delta_ex -0.1353787E-02 Delta_ec 0.4748484E-03 Delta_et -0.3077008E-02 Pxc 0.4232434E+01 Qxc -0.2850988E+01 3,+1 73 3 +1 2.068821 -1.342072 1.044310 Rho 0.2451326E-01 |GRAD(Rho)| 0.2352275E-16 GRAD(Rho)x -0.5453147E-17 GRAD(Rho)y -0.1192798E-16 GRAD(Rho)z 0.1952707E-16 Laplacian 0.9655535E-01 (-1/4)Del**2(Rho)) -0.2413884E-01 Diamond 0.1268052E-01 Metallicity 0.1476291E+01 Ellipticity -0.4034667E+01 Gb(Abramov) 0.2203188E-01 Vb(Abramov) -0.1992493E-01 Hb(Abramov) 0.2106953E-02 Ex_ueg -0.5259203E-02 Ec_ueg -0.1064239E-02 Delta_ex -0.6017194E-02 Delta_ec 0.1715972E-02 Delta_et -0.1505538E-01 Pxc 0.4941749E+01 Qxc -0.3506581E+01 3,+1 74 3 +1 -0.241827 -0.379695 -3.183757 Rho 0.3352748E-02 |GRAD(Rho)| 0.3147677E-16 GRAD(Rho)x -0.2775893E-16 GRAD(Rho)y -0.1366326E-16 GRAD(Rho)z -0.5791720E-17 Laplacian 0.1341187E-01 (-1/4)Del**2(Rho)) -0.3352967E-02 Diamond 0.1599546E-03 Metallicity 0.3858858E+00 Ellipticity -0.1579049E+01 Gb(Abramov) 0.2450955E-02 Vb(Abramov) -0.1548943E-02 Hb(Abramov) 0.9020120E-03 Ex_ueg -0.3706121E-03 Ec_ueg -0.7672851E-04 Delta_ex -0.5825203E-03 Delta_ec 0.3575626E-03 Delta_et -0.1748234E-02 Pxc 0.4830175E+01 Qxc -0.1629142E+01 3,+1 75 3 +3 -1.141375 1.086086 -1.150997 Rho 0.4902021E-02 |GRAD(Rho)| 0.1611553E-16 GRAD(Rho)x 0.8606531E-17 GRAD(Rho)y -0.1091862E-16 GRAD(Rho)z 0.8149953E-17 Laplacian 0.2007485E-01 (-1/4)Del**2(Rho)) -0.5018712E-02 Diamond 0.1455569E-03 Metallicity 0.4855711E+00 Ellipticity -0.2347546E+00 Gb(Abramov) 0.3751965E-02 Vb(Abramov) -0.2485218E-02 Hb(Abramov) 0.1266747E-02 Ex_ueg -0.6150144E-03 Ec_ueg -0.1426988E-03 Delta_ex -0.6984657E-03 Delta_ec 0.1039493E-03 Delta_et -0.7751904E-03 Pxc 0.4309878E+01 Qxc -0.6719290E+01 3,+3 76 3 +1 -1.733046 0.519961 -0.524898 Rho 0.9218393E-02 |GRAD(Rho)| 0.5662632E-14 GRAD(Rho)x 0.2369911E-14 GRAD(Rho)y -0.4969507E-14 GRAD(Rho)z -0.1323982E-14 Laplacian 0.3849808E-01 (-1/4)Del**2(Rho)) -0.9624520E-02 Diamond 0.1228360E-02 Metallicity 0.7254366E+00 Ellipticity -0.1490579E+01 Gb(Abramov) 0.7580010E-02 Vb(Abramov) -0.5535500E-02 Hb(Abramov) 0.2044510E-02 Ex_ueg -0.1427552E-02 Ec_ueg -0.3327329E-03 Delta_ex -0.1829374E-02 Delta_ec 0.6119744E-03 Delta_et -0.4202203E-02 Pxc 0.4290385E+01 Qxc -0.2989297E+01 3,+1 77 3 +3 0.004958 -0.053009 2.318667 Rho 0.4344607E-02 |GRAD(Rho)| 0.5385432E-17 GRAD(Rho)x 0.4507504E-17 GRAD(Rho)y 0.2946958E-17 GRAD(Rho)z -0.2687055E-19 Laplacian 0.1796396E-01 (-1/4)Del**2(Rho)) -0.4490990E-02 Diamond 0.1417923E-03 Metallicity 0.4437399E+00 Ellipticity -0.3294475E+00 Gb(Abramov) 0.3326132E-02 Vb(Abramov) -0.2161274E-02 Hb(Abramov) 0.1164858E-02 Ex_ueg -0.5235831E-03 Ec_ueg -0.1188185E-03 Delta_ex -0.6398785E-03 Delta_ec 0.1556708E-03 Delta_et -0.9783728E-03 Pxc 0.4406579E+01 Qxc -0.4110458E+01 3,+3 78 3 +3 -0.204675 -0.465611 -2.589581 Rho 0.2904306E-02 |GRAD(Rho)| 0.1661222E-14 GRAD(Rho)x -0.1148963E-14 GRAD(Rho)y 0.1089149E-14 GRAD(Rho)z 0.5032841E-15 Laplacian 0.1164423E-01 (-1/4)Del**2(Rho)) -0.2911058E-02 Diamond 0.7618392E-04 Metallicity 0.3498696E+00 Ellipticity -0.7260722E+00 Gb(Abramov) 0.2110453E-02 Vb(Abramov) -0.1309849E-02 Hb(Abramov) 0.8006041E-03 Ex_ueg -0.3060376E-03 Ec_ueg -0.5787227E-04 Delta_ex -0.4186296E-03 Delta_ec 0.1792405E-03 Delta_et -0.9039260E-03 Pxc 0.5288157E+01 Qxc -0.2335575E+01 3,+3 79 3 +1 -0.082445 2.961657 0.122799 Rho 0.5213535E-02 |GRAD(Rho)| 0.1271168E-14 GRAD(Rho)x -0.8410694E-15 GRAD(Rho)y -0.1907097E-15 GRAD(Rho)z 0.9338629E-15 Laplacian 0.2141836E-01 (-1/4)Del**2(Rho)) -0.5354589E-02 Diamond 0.5738645E-03 Metallicity 0.5043292E+00 Ellipticity -0.7850409E+01 Gb(Abramov) 0.4019805E-02 Vb(Abramov) -0.2685022E-02 Hb(Abramov) 0.1334784E-02 Ex_ueg -0.6676693E-03 Ec_ueg -0.1561136E-03 Delta_ex -0.1113511E-02 Delta_ec 0.7457881E-03 Delta_et -0.4072718E-02 Pxc 0.4276817E+01 Qxc -0.1493066E+01 3,+1 80 3 +1 0.528963 0.477449 1.681368 Rho 0.8109040E-02 |GRAD(Rho)| 0.5973975E-15 GRAD(Rho)x -0.2171474E-15 GRAD(Rho)y 0.4969122E-15 GRAD(Rho)z 0.2506172E-15 Laplacian 0.3375789E-01 (-1/4)Del**2(Rho)) -0.8439472E-02 Diamond 0.8842299E-03 Metallicity 0.6681186E+00 Ellipticity -0.1415064E+01 Gb(Abramov) 0.6566076E-02 Vb(Abramov) -0.4692680E-02 Hb(Abramov) 0.1873396E-02 Ex_ueg -0.1203218E-02 Ec_ueg -0.2830670E-03 Delta_ex -0.1544010E-02 Delta_ec 0.5188353E-03 Delta_et -0.3456709E-02 Pxc 0.4250647E+01 Qxc -0.2975915E+01 3,+1 81 3 -1 1.653389 -0.540338 1.669401 Rho 0.3577394E-01 |GRAD(Rho)| 0.6201592E-13 GRAD(Rho)x 0.4150662E-13 GRAD(Rho)y 0.1952507E-13 GRAD(Rho)z 0.4173663E-13 Laplacian 0.1375607E+00 (-1/4)Del**2(Rho)) -0.3439016E-01 Diamond 0.4296314E-01 Metallicity 0.1945645E+01 Ellipticity 0.5248200E-01 Gb(Abramov) 0.3407862E-01 Vb(Abramov) -0.3376707E-01 Hb(Abramov) 0.3115463E-03 Ex_ueg -0.8705776E-02 Ec_ueg -0.1645102E-02 Delta_ex -0.1033278E-01 Delta_ec 0.3955294E-02 Delta_et -0.3812843E-01 Pxc 0.5291936E+01 Qxc -0.2612392E+01 3,-1 82 3 +3 1.083328 1.096675 1.064227 Rho 0.4428443E-02 |GRAD(Rho)| 0.5730622E-16 GRAD(Rho)x -0.3146554E-16 GRAD(Rho)y -0.4173395E-16 GRAD(Rho)z -0.2349894E-16 Laplacian 0.1811265E-01 (-1/4)Del**2(Rho)) -0.4528162E-02 Diamond 0.1206123E-03 Metallicity 0.4543421E+00 Ellipticity -0.1394666E+00 Gb(Abramov) 0.3361664E-02 Vb(Abramov) -0.2195165E-02 Hb(Abramov) 0.1166498E-02 Ex_ueg -0.5370975E-03 Ec_ueg -0.1223999E-03 Delta_ex -0.6198429E-03 Delta_ec 0.1060650E-03 Delta_et -0.7452591E-03 Pxc 0.4388055E+01 Qxc -0.5843991E+01 3,+3 83 3 +3 0.057369 2.298932 -0.009425 Rho 0.4225018E-02 |GRAD(Rho)| 0.1436838E-16 GRAD(Rho)x -0.8379658E-17 GRAD(Rho)y -0.8049264E-17 GRAD(Rho)z 0.8452271E-17 Laplacian 0.1753839E-01 (-1/4)Del**2(Rho)) -0.4384597E-02 Diamond 0.1345698E-03 Metallicity 0.4338483E+00 Ellipticity -0.3265416E+00 Gb(Abramov) 0.3240106E-02 Vb(Abramov) -0.2095615E-02 Hb(Abramov) 0.1144491E-02 Ex_ueg -0.5044559E-03 Ec_ueg -0.1137162E-03 Delta_ex -0.6217573E-03 Delta_ec 0.1546427E-03 Delta_et -0.9615386E-03 Pxc 0.4436097E+01 Qxc -0.4020605E+01 3,+3 84 3 -1 0.832744 -3.000321 2.044424 Rho 0.1448035E+00 |GRAD(Rho)| 0.2088689E-11 GRAD(Rho)x 0.1564317E-11 GRAD(Rho)y -0.8470923E-12 GRAD(Rho)z -0.1094517E-11 Laplacian 0.5755866E+00 (-1/4)Del**2(Rho)) -0.1438967E+00 Diamond 0.1102088E+01 Metallicity 0.4780438E+01 Ellipticity 0.7232656E-01 Gb(Abramov) 0.2105793E+00 Vb(Abramov) -0.2772619E+00 Hb(Abramov) -0.6668262E-01 Ex_ueg -0.5615959E-01 Ec_ueg -0.8111699E-02 Delta_ex -0.6111365E-01 Delta_ec 0.1443401E-01 Delta_et -0.1905325E+00 Pxc 0.6923283E+01 Qxc -0.4234003E+01 3,-1 85 3 +1 0.581322 -1.561194 -1.658929 Rho 0.2894605E-02 |GRAD(Rho)| 0.4043067E-17 GRAD(Rho)x -0.2563757E-17 GRAD(Rho)y 0.1606504E-17 GRAD(Rho)z 0.2681918E-17 Laplacian 0.1130717E-01 (-1/4)Del**2(Rho)) -0.2826793E-02 Diamond 0.7165702E-04 Metallicity 0.3582954E+00 Ellipticity -0.1093282E+01 Gb(Abramov) 0.2053333E-02 Vb(Abramov) -0.1279874E-02 Hb(Abramov) 0.7734599E-03 Ex_ueg -0.3046754E-03 Ec_ueg -0.5746558E-04 Delta_ex -0.4023824E-03 Delta_ec 0.1672163E-03 Delta_et -0.8483072E-03 Pxc 0.5301877E+01 Qxc -0.2406358E+01 3,+1 86 3 +1 0.296343 -1.922061 -0.697025 Rho 0.6020960E-02 |GRAD(Rho)| 0.9274891E-17 GRAD(Rho)x -0.5878409E-17 GRAD(Rho)y 0.6891460E-17 GRAD(Rho)z -0.1993916E-17 Laplacian 0.2457374E-01 (-1/4)Del**2(Rho)) -0.6143436E-02 Diamond 0.6488035E-03 Metallicity 0.5587936E+00 Ellipticity -0.2149063E+01 Gb(Abramov) 0.4667776E-02 Vb(Abramov) -0.3192116E-02 Hb(Abramov) 0.1475660E-02 Ex_ueg -0.8089830E-03 Ec_ueg -0.1911100E-03 Delta_ex -0.1203975E-02 Delta_ec 0.6612595E-03 Delta_et -0.3841239E-02 Pxc 0.4233074E+01 Qxc -0.1820730E+01 3,+1 87 3 +3 -0.093722 -2.384213 -0.095616 Rho 0.4004282E-02 |GRAD(Rho)| 0.8416872E-17 GRAD(Rho)x -0.3388132E-18 GRAD(Rho)y 0.7874018E-17 GRAD(Rho)z -0.2954451E-17 Laplacian 0.1655595E-01 (-1/4)Del**2(Rho)) -0.4138988E-02 Diamond 0.1094301E-03 Metallicity 0.4202749E+00 Ellipticity -0.2780944E+00 Gb(Abramov) 0.3049244E-02 Vb(Abramov) -0.1959500E-02 Hb(Abramov) 0.1089744E-02 Ex_ueg -0.4696251E-03 Ec_ueg -0.1043179E-03 Delta_ex -0.5681164E-03 Delta_ec 0.1266156E-03 Delta_et -0.8057096E-03 Pxc 0.4501864E+01 Qxc -0.4486937E+01 3,+3 88 3 +1 0.077265 -0.111656 2.983108 Rho 0.5305219E-02 |GRAD(Rho)| 0.2606660E-16 GRAD(Rho)x 0.2090345E-17 GRAD(Rho)y -0.2588618E-16 GRAD(Rho)z 0.2236882E-17 Laplacian 0.2181226E-01 (-1/4)Del**2(Rho)) -0.5453064E-02 Diamond 0.5716564E-03 Metallicity 0.5098214E+00 Ellipticity -0.4077075E+01 Gb(Abramov) 0.4098724E-02 Vb(Abramov) -0.2744384E-02 Hb(Abramov) 0.1354340E-02 Ex_ueg -0.6833703E-03 Ec_ueg -0.1600712E-03 Delta_ex -0.1114864E-02 Delta_ec 0.7187322E-03 Delta_et -0.3960555E-02 Pxc 0.4269166E+01 Qxc -0.1551154E+01 3,+1 89 3 -1 0.451970 -1.745125 1.686130 Rho 0.3598083E-01 |GRAD(Rho)| 0.7360219E-15 GRAD(Rho)x 0.5786087E-15 GRAD(Rho)y -0.9608858E-16 GRAD(Rho)z 0.4446427E-15 Laplacian 0.1468724E+00 (-1/4)Del**2(Rho)) -0.3671809E-01 Diamond 0.4867480E-01 Metallicity 0.1839890E+01 Ellipticity 0.1067643E-01 Gb(Abramov) 0.3573827E-01 Vb(Abramov) -0.3475844E-01 Hb(Abramov) 0.9798247E-03 Ex_ueg -0.8772971E-02 Ec_ueg -0.1656035E-02 Delta_ex -0.1121121E-01 Delta_ec 0.4514302E-02 Delta_et -0.4359963E-01 Pxc 0.5297576E+01 Qxc -0.2483486E+01 3,-1 90 3 -1 0.797442 -1.987823 3.008942 Rho 0.1266180E+00 |GRAD(Rho)| 0.6893045E-12 GRAD(Rho)x 0.4794689E-12 GRAD(Rho)y 0.3897770E-12 GRAD(Rho)z 0.3054901E-12 Laplacian 0.4983386E+00 (-1/4)Del**2(Rho)) -0.1245846E+00 Diamond 0.8158502E+00 Metallicity 0.4414834E+01 Ellipticity 0.3934967E-01 Gb(Abramov) 0.1747265E+00 Vb(Abramov) -0.2248684E+00 Hb(Abramov) -0.5014187E-01 Ex_ueg -0.4695829E-01 Ec_ueg -0.6963992E-02 Delta_ex -0.5125759E-01 Delta_ec 0.1299608E-01 Delta_et -0.1682550E+00 Pxc 0.6743013E+01 Qxc -0.3944082E+01 3,-1 91 3 +3 2.341933 -0.007120 0.018217 Rho 0.4001007E-02 |GRAD(Rho)| 0.2013981E-13 GRAD(Rho)x -0.9024109E-14 GRAD(Rho)y -0.1741581E-13 GRAD(Rho)z -0.4568066E-14 Laplacian 0.1671993E-01 (-1/4)Del**2(Rho)) -0.4179982E-02 Diamond 0.1338464E-03 Metallicity 0.4155859E+00 Ellipticity -0.2501417E+00 Gb(Abramov) 0.3076178E-02 Vb(Abramov) -0.1972375E-02 Hb(Abramov) 0.1103804E-02 Ex_ueg -0.4691129E-03 Ec_ueg -0.1041786E-03 Delta_ex -0.6029385E-03 Delta_ec 0.1802123E-03 Delta_et -0.1057800E-02 Pxc 0.4502966E+01 Qxc -0.3345712E+01 3,+3 92 3 -1 1.836835 -0.648090 -3.009729 Rho 0.2369585E+00 |GRAD(Rho)| 0.9949299E-14 GRAD(Rho)x 0.7818182E-15 GRAD(Rho)y -0.9787689E-14 GRAD(Rho)z 0.1605758E-14 Laplacian 0.9070361E+00 (-1/4)Del**2(Rho)) -0.2267590E+00 Diamond 0.3128520E+01 Metallicity 0.6893540E+01 Ellipticity 0.1419499E-01 Gb(Abramov) 0.4117014E+00 Vb(Abramov) -0.5966438E+00 Hb(Abramov) -0.1849424E+00 Ex_ueg -0.1082966E+00 Ec_ueg -0.1422911E-01 Delta_ex -0.1090589E+00 Delta_ec 0.1981764E-01 Delta_et -0.2731010E+00 Pxc 0.7610914E+01 Qxc -0.5503120E+01 3,-1 93 3 +3 0.711609 -1.457330 -1.543385 Rho 0.2883014E-02 |GRAD(Rho)| 0.8378098E-17 GRAD(Rho)x 0.4984604E-17 GRAD(Rho)y 0.5439751E-17 GRAD(Rho)z 0.3969302E-17 Laplacian 0.1145726E-01 (-1/4)Del**2(Rho)) -0.2864315E-02 Diamond 0.6190149E-04 Metallicity 0.3512451E+00 Ellipticity -0.8920875E+00 Gb(Abramov) 0.2077223E-02 Vb(Abramov) -0.1290131E-02 Hb(Abramov) 0.7870924E-03 Ex_ueg -0.3030498E-03 Ec_ueg -0.5697973E-04 Delta_ex -0.3873993E-03 Delta_ec 0.1338005E-03 Delta_et -0.7095271E-03 Pxc 0.5318555E+01 Qxc -0.2895350E+01 3,+3 94 3 +1 1.639160 -0.593997 -0.564572 Rho 0.8763336E-02 |GRAD(Rho)| 0.4217020E-16 GRAD(Rho)x -0.7635880E-17 GRAD(Rho)y -0.2218409E-16 GRAD(Rho)z 0.3504120E-16 Laplacian 0.3717344E-01 (-1/4)Del**2(Rho)) -0.9293361E-02 Diamond 0.1071608E-02 Metallicity 0.6904986E+00 Ellipticity -0.1414485E+01 Gb(Abramov) 0.7265083E-02 Vb(Abramov) -0.5236805E-02 Hb(Abramov) 0.2028278E-02 Ex_ueg -0.1334374E-02 Ec_ueg -0.3122941E-03 Delta_ex -0.1728734E-02 Delta_ec 0.5630689E-03 Delta_et -0.3834914E-02 Pxc 0.4272813E+01 Qxc -0.3070200E+01 3,+1 95 3 +1 1.193352 2.075454 -1.153740 Rho 0.2257801E-01 |GRAD(Rho)| 0.5925618E-16 GRAD(Rho)x -0.1557423E-16 GRAD(Rho)y -0.5708617E-16 GRAD(Rho)z -0.3147585E-17 Laplacian 0.8787255E-01 (-1/4)Del**2(Rho)) -0.2196814E-01 Diamond 0.1089469E-01 Metallicity 0.1414391E+01 Ellipticity -0.5705678E+01 Gb(Abramov) 0.1982402E-01 Vb(Abramov) -0.1767989E-01 Hb(Abramov) 0.2144123E-02 Ex_ueg -0.4713021E-02 Ec_ueg -0.9675614E-03 Delta_ex -0.5431604E-02 Delta_ec 0.1692269E-02 Delta_et -0.1450708E-01 Pxc 0.4871030E+01 Qxc -0.3209657E+01 3,+1 96 3 -1 1.937343 -0.846511 3.003602 Rho 0.1457321E+00 |GRAD(Rho)| 0.3832412E-15 GRAD(Rho)x -0.1946007E-15 GRAD(Rho)y -0.2812963E-15 GRAD(Rho)z 0.1728489E-15 Laplacian 0.5772885E+00 (-1/4)Del**2(Rho)) -0.1443221E+00 Diamond 0.1135538E+01 Metallicity 0.4817395E+01 Ellipticity 0.3605367E-01 Gb(Abramov) 0.2120909E+00 Vb(Abramov) -0.2798596E+00 Hb(Abramov) -0.6776874E-01 Ex_ueg -0.5664027E-01 Ec_ueg -0.8170869E-02 Delta_ex -0.6161508E-01 Delta_ec 0.1485428E-01 Delta_et -0.1971592E+00 Pxc 0.6931977E+01 Qxc -0.4147969E+01 3,-1 97 3 +1 2.921342 0.009553 0.004317 Rho 0.4578359E-02 |GRAD(Rho)| 0.1313206E-16 GRAD(Rho)x 0.5150068E-18 GRAD(Rho)y 0.1006373E-16 GRAD(Rho)z 0.8420628E-17 Laplacian 0.1858520E-01 (-1/4)Del**2(Rho)) -0.4646299E-02 Diamond 0.4225237E-03 Metallicity 0.4680538E+00 Ellipticity -0.6446546E+01 Gb(Abramov) 0.3459986E-02 Vb(Abramov) -0.2273672E-02 Hb(Abramov) 0.1186313E-02 Ex_ueg -0.5614764E-03 Ec_ueg -0.1288132E-03 Delta_ex -0.9477375E-03 Delta_ec 0.6551660E-03 Delta_et -0.3436596E-02 Pxc 0.4358841E+01 Qxc -0.1446561E+01 3,+1 98 3 +3 1.822319 1.792209 -1.809529 Rho 0.1161053E-01 |GRAD(Rho)| 0.2363263E-14 GRAD(Rho)x -0.1221469E-14 GRAD(Rho)y -0.1295839E-14 GRAD(Rho)z 0.1553650E-14 Laplacian 0.5245843E-01 (-1/4)Del**2(Rho)) -0.1311461E-01 Diamond 0.1052750E-02 Metallicity 0.7820201E+00 Ellipticity -0.4741403E+00 Gb(Abramov) 0.1045239E-01 Vb(Abramov) -0.7790164E-02 Hb(Abramov) 0.2662221E-02 Ex_ueg -0.1941725E-02 Ec_ueg -0.4416196E-03 Delta_ex -0.2267471E-02 Delta_ec 0.1653252E-03 Delta_et -0.1632728E-02 Pxc 0.4396827E+01 Qxc -0.1371522E+02 3,+3 99 3 +1 1.077300 -1.266809 2.118122 Rho 0.2245536E-01 |GRAD(Rho)| 0.1822642E-14 GRAD(Rho)x 0.1624291E-14 GRAD(Rho)y -0.7791817E-15 GRAD(Rho)z -0.2767278E-15 Laplacian 0.8729073E-01 (-1/4)Del**2(Rho)) -0.2182268E-01 Diamond 0.1050780E-01 Metallicity 0.1410951E+01 Ellipticity -0.4623845E+01 Gb(Abramov) 0.1968024E-01 Vb(Abramov) -0.1753780E-01 Hb(Abramov) 0.2142440E-02 Ex_ueg -0.4678914E-02 Ec_ueg -0.9614691E-03 Delta_ex -0.5358665E-02 Delta_ec 0.1628669E-02 Delta_et -0.1395624E-01 Pxc 0.4866422E+01 Qxc -0.3290212E+01 3,+1 100 3 +1 1.664630 0.514315 0.532185 Rho 0.7515681E-02 |GRAD(Rho)| 0.4622587E-17 GRAD(Rho)x -0.7525179E-18 GRAD(Rho)y 0.3090621E-17 GRAD(Rho)z -0.3354115E-17 Laplacian 0.3072059E-01 (-1/4)Del**2(Rho)) -0.7680147E-02 Diamond 0.7419109E-03 Metallicity 0.6468410E+00 Ellipticity -0.1428781E+01 Gb(Abramov) 0.5948070E-02 Vb(Abramov) -0.4215994E-02 Hb(Abramov) 0.1732077E-02 Ex_ueg -0.1087284E-02 Ec_ueg -0.2567290E-03 Delta_ex -0.1387721E-02 Delta_ec 0.4877634E-03 Delta_et -0.3173027E-02 Pxc 0.4235141E+01 Qxc -0.2845069E+01 3,+1 101 3 -1 3.138228 -3.238205 -0.090264 Rho 0.2356498E+00 |GRAD(Rho)| 0.6038269E-15 GRAD(Rho)x -0.5280065E-16 GRAD(Rho)y 0.5998349E-15 GRAD(Rho)z 0.4491307E-16 Laplacian 0.8632704E+00 (-1/4)Del**2(Rho)) -0.2158176E+00 Diamond 0.2985933E+01 Metallicity 0.7176478E+01 Ellipticity 0.1389011E-01 Gb(Abramov) 0.4020134E+00 Vb(Abramov) -0.5882093E+00 Hb(Abramov) -0.1861958E+00 Ex_ueg -0.1074998E+00 Ec_ueg -0.1413891E-01 Delta_ex -0.1038000E+00 Delta_ec 0.1916656E-01 Delta_et -0.2652827E+00 Pxc 0.7603118E+01 Qxc -0.5415684E+01 3,-1 102 3 -1 2.885605 -2.010758 0.806170 Rho 0.9509900E-01 |GRAD(Rho)| 0.8610315E-16 GRAD(Rho)x -0.2631901E-16 GRAD(Rho)y -0.9259764E-17 GRAD(Rho)z 0.8145746E-16 Laplacian 0.3824589E+00 (-1/4)Del**2(Rho)) -0.9561472E-01 Diamond 0.4457532E+00 Metallicity 0.3569891E+01 Ellipticity 0.6319683E-03 Gb(Abramov) 0.1206322E+00 Vb(Abramov) -0.1456496E+00 Hb(Abramov) -0.2501745E-01 Ex_ueg -0.3205922E-01 Ec_ueg -0.5029136E-02 Delta_ex -0.3680426E-01 Delta_ec 0.1071985E-01 Delta_et -0.1317494E+00 Pxc 0.6374699E+01 Qxc -0.3433283E+01 3,-1 103 3 -1 3.205116 -0.111224 -3.224296 Rho 0.2335793E+00 |GRAD(Rho)| 0.6043443E-15 GRAD(Rho)x 0.5861197E-15 GRAD(Rho)y -0.6345971E-16 GRAD(Rho)z -0.1329232E-15 Laplacian 0.8518230E+00 (-1/4)Del**2(Rho)) -0.2129557E+00 Diamond 0.2921487E+01 Metallicity 0.7166729E+01 Ellipticity 0.1767048E-01 Gb(Abramov) 0.3963365E+00 Vb(Abramov) -0.5797172E+00 Hb(Abramov) -0.1833808E+00 Ex_ueg -0.1062423E+00 Ec_ueg -0.1399640E-01 Delta_ex -0.1022230E+00 Delta_ec 0.1902326E-01 Delta_et -0.2634703E+00 Pxc 0.7590690E+01 Qxc -0.5373581E+01 3,-1 104 3 -1 3.168253 0.030138 3.210409 Rho 0.2408288E+00 |GRAD(Rho)| 0.1653463E-14 GRAD(Rho)x -0.1134292E-14 GRAD(Rho)y -0.3609309E-15 GRAD(Rho)z -0.1147628E-14 Laplacian 0.8705530E+00 (-1/4)Del**2(Rho)) -0.2176382E+00 Diamond 0.3097446E+01 Metallicity 0.7379017E+01 Ellipticity 0.4704976E-02 Gb(Abramov) 0.4127516E+00 Vb(Abramov) -0.6078649E+00 Hb(Abramov) -0.1951133E+00 Ex_ueg -0.1106614E+00 Ec_ueg -0.1449642E-01 Delta_ex -0.1053057E+00 Delta_ec 0.1926596E-01 Delta_et -0.2671391E+00 Pxc 0.7633705E+01 Qxc -0.5465895E+01 3,-1 105 3 +1 1.241365 1.072451 -2.143093 Rho 0.2498255E-01 |GRAD(Rho)| 0.8951138E-16 GRAD(Rho)x 0.2924171E-16 GRAD(Rho)y 0.1157398E-16 GRAD(Rho)z -0.8380485E-16 Laplacian 0.1006089E+00 (-1/4)Del**2(Rho)) -0.2515222E-01 Diamond 0.1466398E-01 Metallicity 0.1462306E+01 Ellipticity -0.8024527E+01 Gb(Abramov) 0.2289819E-01 Vb(Abramov) -0.2064415E-01 Hb(Abramov) 0.2254034E-02 Ex_ueg -0.5393874E-02 Ec_ueg -0.1087836E-02 Delta_ex -0.6421188E-02 Delta_ec 0.2001897E-02 Delta_et -0.1759962E-01 Pxc 0.4958353E+01 Qxc -0.3207552E+01 3,+1 106 3 +1 -2.123778 1.180141 1.201076 Rho 0.2504858E-01 |GRAD(Rho)| 0.1166289E-13 GRAD(Rho)x 0.1025253E-13 GRAD(Rho)y -0.2455436E-14 GRAD(Rho)z -0.4987934E-14 Laplacian 0.9822165E-01 (-1/4)Del**2(Rho)) -0.2455541E-01 Diamond 0.1351435E-01 Metallicity 0.1504450E+01 Ellipticity -0.4977975E+01 Gb(Abramov) 0.2252734E-01 Vb(Abramov) -0.2049927E-01 Hb(Abramov) 0.2028072E-02 Ex_ueg -0.5412890E-02 Ec_ueg -0.1091160E-02 Delta_ex -0.6180665E-02 Delta_ec 0.1789300E-02 Delta_et -0.1577374E-01 Pxc 0.4960673E+01 Qxc -0.3454235E+01 3,+1 107 3 -1 -1.751367 -1.669299 -0.488863 Rho 0.5276377E-01 |GRAD(Rho)| 0.4863217E-16 GRAD(Rho)x -0.1342717E-16 GRAD(Rho)y 0.8825236E-17 GRAD(Rho)z 0.4590114E-16 Laplacian 0.2112322E+00 (-1/4)Del**2(Rho)) -0.5280806E-01 Diamond 0.1156325E+00 Metallicity 0.2421471E+01 Ellipticity 0.1262693E-01 Gb(Abramov) 0.5651757E-01 Vb(Abramov) -0.6022708E-01 Hb(Abramov) -0.3709512E-02 Ex_ueg -0.1461614E-01 Ec_ueg -0.2568205E-02 Delta_ex -0.1764181E-01 Delta_ec 0.6321961E-02 Delta_et -0.6761298E-01 Pxc 0.5691191E+01 Qxc -0.2790560E+01 3,-1 108 3 -1 -3.248826 -3.114281 0.070162 Rho 0.2409814E+00 |GRAD(Rho)| 0.4989721E-15 GRAD(Rho)x 0.2103352E-15 GRAD(Rho)y 0.4424629E-15 GRAD(Rho)z -0.9465085E-16 Laplacian 0.8995736E+00 (-1/4)Del**2(Rho)) -0.2248934E+00 Diamond 0.3179941E+01 Metallicity 0.7148512E+01 Ellipticity 0.9952211E-03 Gb(Abramov) 0.4178711E+00 Vb(Abramov) -0.6108488E+00 Hb(Abramov) -0.1929777E+00 Ex_ueg -0.1107549E+00 Ec_ueg -0.1450698E-01 Delta_ex -0.1087113E+00 Delta_ec 0.1968514E-01 Delta_et -0.2719867E+00 Pxc 0.7634596E+01 Qxc -0.5522506E+01 3,-1 109 3 +1 -1.702151 -0.506245 0.576081 Rho 0.9800573E-02 |GRAD(Rho)| 0.5925047E-17 GRAD(Rho)x -0.9395448E-19 GRAD(Rho)y 0.5874028E-17 GRAD(Rho)z -0.7701647E-18 Laplacian 0.4172525E-01 (-1/4)Del**2(Rho)) -0.1043131E-01 Diamond 0.1404887E-02 Metallicity 0.7412533E+00 Ellipticity -0.1458520E+01 Gb(Abramov) 0.8242915E-02 Vb(Abramov) -0.6054519E-02 Hb(Abramov) 0.2188396E-02 Ex_ueg -0.1549008E-02 Ec_ueg -0.3590122E-03 Delta_ex -0.1997304E-02 Delta_ec 0.6346971E-03 Delta_et -0.4448758E-02 Pxc 0.4314639E+01 Qxc -0.3146862E+01 3,+1 110 3 +3 -2.380420 0.022085 0.025366 Rho 0.4864546E-02 |GRAD(Rho)| 0.1410012E-16 GRAD(Rho)x 0.1053619E-16 GRAD(Rho)y -0.8619301E-17 GRAD(Rho)z -0.3675554E-17 Laplacian 0.2036844E-01 (-1/4)Del**2(Rho)) -0.5092109E-02 Diamond 0.2075628E-03 Metallicity 0.4724899E+00 Ellipticity -0.4056906E+00 Gb(Abramov) 0.3795735E-02 Vb(Abramov) -0.2499360E-02 Hb(Abramov) 0.1296375E-02 Ex_ueg -0.6087534E-03 Ec_ueg -0.1410883E-03 Delta_ex -0.7663514E-03 Delta_ec 0.2110908E-03 Delta_et -0.1311460E-02 Pxc 0.4314698E+01 Qxc -0.3630435E+01 3,+3 111 3 -1 -2.808969 1.766050 -0.569774 Rho 0.1934834E+00 |GRAD(Rho)| 0.1790259E-15 GRAD(Rho)x -0.1071056E-15 GRAD(Rho)y 0.1405126E-15 GRAD(Rho)z 0.2889399E-16 Laplacian 0.7882520E+00 (-1/4)Del**2(Rho)) -0.1970630E+00 Diamond 0.2137393E+01 Metallicity 0.5658321E+01 Ellipticity 0.1928567E-01 Gb(Abramov) 0.3172163E+00 Vb(Abramov) -0.4373696E+00 Hb(Abramov) -0.1201533E+00 Ex_ueg -0.8265009E-01 Ec_ueg -0.1128311E-01 Delta_ex -0.8998938E-01 Delta_ec 0.1832931E-01 Delta_et -0.2499777E+00 Pxc 0.7325115E+01 Qxc -0.4909588E+01 3,-1 112 3 +1 -2.009946 2.015083 2.054824 Rho 0.1250661E-01 |GRAD(Rho)| 0.1848711E-13 GRAD(Rho)x -0.1354990E-13 GRAD(Rho)y -0.1221502E-13 GRAD(Rho)z 0.2994448E-14 Laplacian 0.5875048E-01 (-1/4)Del**2(Rho)) -0.1468762E-01 Diamond 0.2103724E-02 Metallicity 0.7903768E+00 Ellipticity -0.1184956E+01 Gb(Abramov) 0.1172654E-01 Vb(Abramov) -0.8765458E-02 Hb(Abramov) 0.2961081E-02 Ex_ueg -0.2144064E-02 Ec_ueg -0.4830059E-03 Delta_ex -0.2813508E-02 Delta_ec 0.5732218E-03 Delta_et -0.4484045E-02 Pxc 0.4439001E+01 Qxc -0.4908237E+01 3,+1 113 3 -1 -2.991227 1.943456 0.858234 Rho 0.1357162E+00 |GRAD(Rho)| 0.2345871E-15 GRAD(Rho)x 0.2030982E-15 GRAD(Rho)y -0.1148035E-15 GRAD(Rho)z -0.2454363E-16 Laplacian 0.5348149E+00 (-1/4)Del**2(Rho)) -0.1337037E+00 Diamond 0.9684122E+00 Metallicity 0.4618090E+01 Ellipticity 0.2726975E-01 Gb(Abramov) 0.1920451E+00 Vb(Abramov) -0.2503865E+00 Hb(Abramov) -0.5834140E-01 Ex_ueg -0.5151028E-01 Ec_ueg -0.7535513E-02 Delta_ex -0.5613156E-01 Delta_ec 0.1405583E-01 Delta_et -0.1846672E+00 Pxc 0.6835670E+01 Qxc -0.3993472E+01 3,-1 114 3 +3 -1.098452 -1.122868 1.180813 Rho 0.5044396E-02 |GRAD(Rho)| 0.3421787E-17 GRAD(Rho)x 0.3375148E-17 GRAD(Rho)y -0.5608152E-18 GRAD(Rho)z -0.4986906E-19 Laplacian 0.2084721E-01 (-1/4)Del**2(Rho)) -0.5211802E-02 Diamond 0.1568997E-03 Metallicity 0.4904339E+00 Ellipticity -0.1449474E+00 Gb(Abramov) 0.3900542E-02 Vb(Abramov) -0.2589282E-02 Hb(Abramov) 0.1311260E-02 Ex_ueg -0.6389457E-03 Ec_ueg -0.1488238E-03 Delta_ex -0.7307842E-03 Delta_ec 0.1074692E-03 Delta_et -0.8069397E-03 Pxc 0.4293302E+01 Qxc -0.6799940E+01 3,+3 115 3 -1 -0.583765 1.801974 -2.775412 Rho 0.1408319E+00 |GRAD(Rho)| 0.4691800E-15 GRAD(Rho)x 0.1955494E-15 GRAD(Rho)y 0.3806905E-15 GRAD(Rho)z 0.1922629E-15 Laplacian 0.5970748E+00 (-1/4)Del**2(Rho)) -0.1492687E+00 Diamond 0.1101128E+01 Metallicity 0.4399663E+01 Ellipticity 0.3117634E-01 Gb(Abramov) 0.2089678E+00 Vb(Abramov) -0.2686669E+00 Hb(Abramov) -0.5969910E-01 Ex_ueg -0.5411526E-01 Ec_ueg -0.7859231E-02 Delta_ex -0.6291506E-01 Delta_ec 0.1498831E-01 Delta_et -0.1968780E+00 Pxc 0.6885567E+01 Qxc -0.4197609E+01 3,-1 116 3 +1 -1.769361 1.744461 -1.754366 Rho 0.1144409E-01 |GRAD(Rho)| 0.1916188E-16 GRAD(Rho)x -0.2382877E-17 GRAD(Rho)y 0.1530121E-16 GRAD(Rho)z 0.1128595E-16 Laplacian 0.5577769E-01 (-1/4)Del**2(Rho)) -0.1394442E-01 Diamond 0.2129939E-02 Metallicity 0.7179951E+00 Ellipticity -0.1290473E+01 Gb(Abramov) 0.1096495E-01 Vb(Abramov) -0.7985483E-02 Hb(Abramov) 0.2979470E-02 Ex_ueg -0.1904701E-02 Ec_ueg -0.4339675E-03 Delta_ex -0.2718660E-02 Delta_ec 0.7435765E-03 Delta_et -0.5495710E-02 Pxc 0.4389041E+01 Qxc -0.3656195E+01 3,+1 117 3 -1 -1.804154 0.499944 -2.857933 Rho 0.1225176E+00 |GRAD(Rho)| 0.7592635E-16 GRAD(Rho)x -0.4980554E-17 GRAD(Rho)y 0.7288549E-16 GRAD(Rho)z 0.2068116E-16 Laplacian 0.5043585E+00 (-1/4)Del**2(Rho)) -0.1260896E+00 Diamond 0.8027619E+00 Metallicity 0.4129253E+01 Ellipticity 0.1515136E-01 Gb(Abramov) 0.1708357E+00 Vb(Abramov) -0.2155819E+00 Hb(Abramov) -0.4474612E-01 Ex_ueg -0.4494174E-01 Ec_ueg -0.6708229E-02 Delta_ex -0.5158644E-01 Delta_ec 0.1346805E-01 Delta_et -0.1737802E+00 Pxc 0.6699494E+01 Qxc -0.3830283E+01 3,-1 118 3 +1 -1.101623 2.102515 1.274199 Rho 0.2453022E-01 |GRAD(Rho)| 0.3592312E-16 GRAD(Rho)x 0.1110547E-17 GRAD(Rho)y -0.3298414E-16 GRAD(Rho)z -0.1418745E-16 Laplacian 0.9908850E-01 (-1/4)Del**2(Rho)) -0.2477213E-01 Diamond 0.1406129E-01 Metallicity 0.1440209E+01 Ellipticity -0.7266804E+01 Gb(Abramov) 0.2246092E-01 Vb(Abramov) -0.2014972E-01 Hb(Abramov) 0.2311201E-02 Ex_ueg -0.5264053E-02 Ec_ueg -0.1065091E-02 Delta_ex -0.6291554E-02 Delta_ec 0.1966967E-02 Delta_et -0.1721229E-01 Pxc 0.4942353E+01 Qxc -0.3198606E+01 3,+1 119 3 -1 -0.472786 1.710132 1.682077 Rho 0.3534639E-01 |GRAD(Rho)| 0.1295754E-15 GRAD(Rho)x 0.5056490E-16 GRAD(Rho)y 0.7872811E-16 GRAD(Rho)z 0.8963737E-16 Laplacian 0.1447327E+00 (-1/4)Del**2(Rho)) -0.3618318E-01 Diamond 0.4687918E-01 Metallicity 0.1812542E+01 Ellipticity 0.4063991E-01 Gb(Abramov) 0.3505271E-01 Vb(Abramov) -0.3392224E-01 Hb(Abramov) 0.1130469E-02 Ex_ueg -0.8567323E-02 Ec_ueg -0.1622536E-02 Delta_ex -0.1100411E-01 Delta_ec 0.4456237E-02 Delta_et -0.4282900E-01 Pxc 0.5280204E+01 Qxc -0.2469372E+01 3,-1 120 3 -1 -0.814480 2.007271 2.983423 Rho 0.1106477E+00 |GRAD(Rho)| 0.3074471E-14 GRAD(Rho)x 0.1982213E-14 GRAD(Rho)y 0.2066086E-14 GRAD(Rho)z -0.1120042E-14 Laplacian 0.4360589E+00 (-1/4)Del**2(Rho)) -0.1090147E+00 Diamond 0.6082459E+00 Metallicity 0.4030000E+01 Ellipticity 0.2456105E-01 Gb(Abramov) 0.1458980E+00 Vb(Abramov) -0.1827813E+00 Hb(Abramov) -0.3688331E-01 Ex_ueg -0.3923208E-01 Ec_ueg -0.5974444E-02 Delta_ex -0.4344895E-01 Delta_ec 0.1176881E-01 Delta_et -0.1488910E+00 Pxc 0.6566650E+01 Qxc -0.3691871E+01 3,-1 121 3 -1 -0.569009 2.766999 -1.783638 Rho 0.1284875E+00 |GRAD(Rho)| 0.3299954E-15 GRAD(Rho)x -0.2008688E-15 GRAD(Rho)y -0.6376803E-16 GRAD(Rho)z 0.2539337E-15 Laplacian 0.5345488E+00 (-1/4)Del**2(Rho)) -0.1336372E+00 Diamond 0.8871941E+00 Metallicity 0.4217554E+01 Ellipticity 0.1136236E-01 Gb(Abramov) 0.1830285E+00 Vb(Abramov) -0.2324198E+00 Hb(Abramov) -0.4939128E-01 Ex_ueg -0.4788501E-01 Ec_ueg -0.7080982E-02 Delta_ex -0.5513406E-01 Delta_ec 0.1381537E-01 Delta_et -0.1791467E+00 Pxc 0.6762482E+01 Qxc -0.3990777E+01 3,-1 122 3 -1 -0.825358 2.980650 1.988482 Rho 0.1461398E+00 |GRAD(Rho)| 0.1332251E-14 GRAD(Rho)x 0.1220392E-14 GRAD(Rho)y -0.2745810E-15 GRAD(Rho)z 0.4584142E-15 Laplacian 0.5716744E+00 (-1/4)Del**2(Rho)) -0.1429186E+00 Diamond 0.1111547E+01 Metallicity 0.4887407E+01 Ellipticity 0.5361349E-01 Gb(Abramov) 0.2116960E+00 Vb(Abramov) -0.2804733E+00 Hb(Abramov) -0.6877735E-01 Ex_ueg -0.5685164E-01 Ec_ueg -0.8196864E-02 Delta_ex -0.6088505E-01 Delta_ec 0.1439170E-01 Delta_et -0.1904179E+00 Pxc 0.6935779E+01 Qxc -0.4230567E+01 3,-1 123 3 +1 0.096428 2.972939 -0.056991 Rho 0.5210723E-02 |GRAD(Rho)| 0.3477087E-16 GRAD(Rho)x 0.2966068E-16 GRAD(Rho)y 0.1632168E-17 GRAD(Rho)z -0.1807191E-16 Laplacian 0.2135087E-01 (-1/4)Del**2(Rho)) -0.5337718E-02 Diamond 0.5659901E-03 Metallicity 0.5054687E+00 Ellipticity -0.6031522E+01 Gb(Abramov) 0.4008154E-02 Vb(Abramov) -0.2678589E-02 Hb(Abramov) 0.1329564E-02 Ex_ueg -0.6671893E-03 Ec_ueg -0.1559923E-03 Delta_ex -0.1104923E-02 Delta_ec 0.7345700E-03 Delta_et -0.4014028E-02 Pxc 0.4277065E+01 Qxc -0.1504177E+01 3,+1 124 3 +1 -1.025500 1.344529 2.133670 Rho 0.2274848E-01 |GRAD(Rho)| 0.2789101E-16 GRAD(Rho)x -0.1810920E-16 GRAD(Rho)y 0.4322210E-17 GRAD(Rho)z 0.2076737E-16 Laplacian 0.8775698E-01 (-1/4)Del**2(Rho)) -0.2193924E-01 Diamond 0.9643992E-02 Metallicity 0.1434120E+01 Ellipticity -0.2811855E+01 Gb(Abramov) 0.1987008E-01 Vb(Abramov) -0.1780092E-01 Hb(Abramov) 0.2069164E-02 Ex_ueg -0.4760525E-02 Ec_ueg -0.9760355E-03 Delta_ex -0.5268889E-02 Delta_ec 0.1393338E-02 Delta_et -0.1204487E-01 Pxc 0.4877410E+01 Qxc -0.3781485E+01 3,+1 125 3 -1 -0.066870 3.175586 -3.162923 Rho 0.2309338E+00 |GRAD(Rho)| 0.2683180E-15 GRAD(Rho)x 0.8497435E-16 GRAD(Rho)y 0.2149431E-15 GRAD(Rho)z 0.1362842E-15 Laplacian 0.8327491E+00 (-1/4)Del**2(Rho)) -0.2081873E+00 Diamond 0.2823378E+01 Metallicity 0.7193022E+01 Ellipticity 0.5539898E-03 Gb(Abramov) 0.3883741E+00 Vb(Abramov) -0.5685609E+00 Hb(Abramov) -0.1801868E+00 Ex_ueg -0.1046409E+00 Ec_ueg -0.1381464E-01 Delta_ex -0.9967310E-01 Delta_ec 0.1872104E-01 Delta_et -0.2594142E+00 Pxc 0.7574640E+01 Qxc -0.5324122E+01 3,-1 126 3 -1 -1.995111 2.926505 0.841616 Rho 0.1162063E+00 |GRAD(Rho)| 0.4674715E-15 GRAD(Rho)x -0.2158647E-15 GRAD(Rho)y -0.2163864E-15 GRAD(Rho)z -0.3537074E-15 Laplacian 0.4651962E+00 (-1/4)Del**2(Rho)) -0.1162991E+00 Diamond 0.6941087E+00 Metallicity 0.4099143E+01 Ellipticity 0.1494886E-01 Gb(Abramov) 0.1569871E+00 Vb(Abramov) -0.1976752E+00 Hb(Abramov) -0.4068806E-01 Ex_ueg -0.4188173E-01 Ec_ueg -0.6316823E-02 Delta_ex -0.4697553E-01 Delta_ec 0.1255886E-01 Delta_et -0.1605249E+00 Pxc 0.6630189E+01 Qxc -0.3740431E+01 3,-1 127 3 -1 0.096728 3.226192 3.177254 Rho 0.2292411E+00 |GRAD(Rho)| 0.5409833E-15 GRAD(Rho)x 0.1046933E-15 GRAD(Rho)y 0.2797784E-15 GRAD(Rho)z 0.4510281E-15 Laplacian 0.8190178E+00 (-1/4)Del**2(Rho)) -0.2047545E+00 Diamond 0.2757315E+01 Metallicity 0.7224493E+01 Ellipticity 0.2408952E-02 Gb(Abramov) 0.3830442E+00 Vb(Abramov) -0.5613338E+00 Hb(Abramov) -0.1782897E+00 Ex_ueg -0.1036196E+00 Ec_ueg -0.1369855E-01 Delta_ex -0.9787059E-01 Delta_ec 0.1850177E-01 Delta_et -0.2564932E+00 Pxc 0.7564270E+01 Qxc -0.5289797E+01 3,-1 128 3 -1 0.462688 1.637580 -1.708456 Rho 0.3962998E-01 |GRAD(Rho)| 0.1138700E-16 GRAD(Rho)x 0.7958086E-17 GRAD(Rho)y 0.4553014E-17 GRAD(Rho)z -0.6752970E-17 Laplacian 0.1620388E+00 (-1/4)Del**2(Rho)) -0.4050971E-01 Diamond 0.6145609E-01 Metallicity 0.1958997E+01 Ellipticity 0.1428226E-01 Gb(Abramov) 0.4023287E-01 Vb(Abramov) -0.3995603E-01 Hb(Abramov) 0.2768367E-03 Ex_ueg -0.9978919E-02 Ec_ueg -0.1850235E-02 Delta_ex -0.1267814E-01 Delta_ec 0.5000747E-02 Delta_et -0.4959225E-01 Pxc 0.5393326E+01 Qxc -0.2535249E+01 3,-1 129 3 -1 -0.006230 2.966357 0.046520 Rho 0.5215755E-02 |GRAD(Rho)| 0.3053782E-17 GRAD(Rho)x -0.3619904E-18 GRAD(Rho)y -0.1068335E-17 GRAD(Rho)z -0.2837818E-17 Laplacian 0.2121815E-01 (-1/4)Del**2(Rho)) -0.5304538E-02 Diamond 0.5996933E-03 Metallicity 0.5094493E+00 Ellipticity 0.1120057E+02 Gb(Abramov) 0.3986758E-02 Vb(Abramov) -0.2668977E-02 Hb(Abramov) 0.1317781E-02 Ex_ueg -0.6680485E-03 Ec_ueg -0.1562094E-03 Delta_ex -0.1130283E-02 Delta_ec 0.7871882E-03 Delta_et -0.4281758E-02 Pxc 0.4276621E+01 Qxc -0.1435848E+01 3,-1 130 3 -1 0.565985 1.826951 2.766123 Rho 0.1357071E+00 |GRAD(Rho)| 0.8277812E-14 GRAD(Rho)x -0.4875671E-14 GRAD(Rho)y 0.6583032E-14 GRAD(Rho)z -0.1188990E-14 Laplacian 0.5636468E+00 (-1/4)Del**2(Rho)) -0.1409117E+00 Diamond 0.1000507E+01 Metallicity 0.4381377E+01 Ellipticity 0.1389022E-01 Gb(Abramov) 0.1968390E+00 Vb(Abramov) -0.2527663E+00 Hb(Abramov) -0.5592731E-01 Ex_ueg -0.5150570E-01 Ec_ueg -0.7534942E-02 Delta_ex -0.5892862E-01 Delta_ec 0.1440669E-01 Delta_et -0.1884737E+00 Pxc 0.6835581E+01 Qxc -0.4090366E+01 3,-1 131 3 +1 1.740571 1.781316 1.782044 Rho 0.1236472E-01 |GRAD(Rho)| 0.9735859E-16 GRAD(Rho)x -0.8084262E-16 GRAD(Rho)y 0.2408006E-16 GRAD(Rho)z 0.4861395E-16 Laplacian 0.6181414E-01 (-1/4)Del**2(Rho)) -0.1545354E-01 Diamond 0.2548594E-02 Metallicity 0.7370532E+00 Ellipticity -0.1250934E+01 Gb(Abramov) 0.1220070E-01 Vb(Abramov) -0.8947872E-02 Hb(Abramov) 0.3252832E-02 Ex_ueg -0.2111692E-02 Ec_ueg -0.4764316E-03 Delta_ex -0.3053629E-02 Delta_ec 0.7864072E-03 Delta_et -0.5952071E-02 Pxc 0.4432309E+01 Qxc -0.3883013E+01 3,+1 132 3 +1 2.029219 2.018140 -2.005818 Rho 0.1218435E-01 |GRAD(Rho)| 0.5055456E-17 GRAD(Rho)x 0.2524825E-17 GRAD(Rho)y -0.4379815E-17 GRAD(Rho)z -0.1045124E-19 Laplacian 0.5687145E-01 (-1/4)Del**2(Rho)) -0.1421786E-01 Diamond 0.2041193E-02 Metallicity 0.7817292E+00 Ellipticity -0.1217028E+01 Gb(Abramov) 0.1133099E-01 Vb(Abramov) -0.8444126E-02 Hb(Abramov) 0.2886867E-02 Ex_ueg -0.2070722E-02 Ec_ueg -0.4680861E-03 Delta_ex -0.2725823E-02 Delta_ec 0.5936966E-03 Delta_et -0.4578485E-02 Pxc 0.4423805E+01 Qxc -0.4591273E+01 3,+1 133 3 -1 0.847874 1.989541 -2.954535 Rho 0.1405329E+00 |GRAD(Rho)| 0.1295871E-15 GRAD(Rho)x 0.9005654E-16 GRAD(Rho)y -0.9310586E-16 GRAD(Rho)z 0.3733721E-17 Laplacian 0.5603426E+00 (-1/4)Del**2(Rho)) -0.1400857E+00 Diamond 0.1034636E+01 Metallicity 0.4671498E+01 Ellipticity 0.7081569E-01 Gb(Abramov) 0.2024588E+00 Vb(Abramov) -0.2648318E+00 Hb(Abramov) -0.6237309E-01 Ex_ueg -0.5396213E-01 Ec_ueg -0.7840265E-02 Delta_ex -0.5905598E-01 Delta_ec 0.1414897E-01 Delta_et -0.1859584E+00 Pxc 0.6882692E+01 Qxc -0.4173870E+01 3,-1 134 3 -1 1.605648 -1.755420 0.421907 Rho 0.4168455E-01 |GRAD(Rho)| 0.6019396E-16 GRAD(Rho)x 0.2562338E-16 GRAD(Rho)y -0.4030987E-16 GRAD(Rho)z -0.3663153E-16 Laplacian 0.1612936E+00 (-1/4)Del**2(Rho)) -0.4032340E-01 Diamond 0.6381059E-01 Metallicity 0.2141023E+01 Ellipticity 0.1302123E-01 Gb(Abramov) 0.4127115E-01 Vb(Abramov) -0.4221890E-01 Hb(Abramov) -0.9477524E-03 Ex_ueg -0.1067461E-01 Ec_ueg -0.1960665E-02 Delta_ex -0.1268378E-01 Delta_ec 0.4808202E-02 Delta_et -0.4831761E-01 Pxc 0.5444382E+01 Qxc -0.2637947E+01 3,-1 135 3 +3 1.769609 -1.838710 1.846380 Rho 0.1187176E-01 |GRAD(Rho)| 0.1250389E-16 GRAD(Rho)x -0.1177797E-16 GRAD(Rho)y -0.2703424E-17 GRAD(Rho)z -0.3212201E-17 Laplacian 0.5399971E-01 (-1/4)Del**2(Rho)) -0.1349993E-01 Diamond 0.1105221E-02 Metallicity 0.7884004E+00 Ellipticity -0.5058988E+00 Gb(Abramov) 0.1077384E-01 Vb(Abramov) -0.8047758E-02 Hb(Abramov) 0.2726084E-02 Ex_ueg -0.2000192E-02 Ec_ueg -0.4536522E-03 Delta_ex -0.2345780E-02 Delta_ec 0.1634445E-03 Delta_et -0.1637724E-02 Pxc 0.4409088E+01 Qxc -0.1435215E+02 3,+3 136 3 +1 1.981908 -2.029576 2.066349 Rho 0.1244403E-01 |GRAD(Rho)| 0.2224596E-16 GRAD(Rho)x 0.1531219E-16 GRAD(Rho)y 0.1027421E-16 GRAD(Rho)z -0.1244428E-16 Laplacian 0.5856162E-01 (-1/4)Del**2(Rho)) -0.1464041E-01 Diamond 0.2135957E-02 Metallicity 0.7863244E+00 Ellipticity -0.1205530E+01 Gb(Abramov) 0.1167896E-01 Vb(Abramov) -0.8717505E-02 Hb(Abramov) 0.2961451E-02 Ex_ueg -0.2129772E-02 Ec_ueg -0.4801055E-03 Delta_ex -0.2815321E-02 Delta_ec 0.5976541E-03 Delta_et -0.4643732E-02 Pxc 0.4436049E+01 Qxc -0.4710620E+01 3,+1 137 3 +1 2.111430 0.988515 -1.356453 Rho 0.2191978E-01 |GRAD(Rho)| 0.3213665E-13 GRAD(Rho)x 0.2428800E-13 GRAD(Rho)y -0.5826848E-14 GRAD(Rho)z -0.2022140E-13 Laplacian 0.8356704E-01 (-1/4)Del**2(Rho)) -0.2089176E-01 Diamond 0.8947831E-02 Metallicity 0.1415702E+01 Ellipticity -0.3027699E+01 Gb(Abramov) 0.1885726E-01 Vb(Abramov) -0.1682276E-01 Hb(Abramov) 0.2034503E-02 Ex_ueg -0.4530714E-02 Ec_ueg -0.9349166E-03 Delta_ex -0.4996422E-02 Delta_ec 0.1378067E-02 Delta_et -0.1178841E-01 Pxc 0.4846116E+01 Qxc -0.3625675E+01 3,+1 138 3 -1 3.012868 1.967948 -0.845500 Rho 0.1864274E+00 |GRAD(Rho)| 0.7825403E-15 GRAD(Rho)x 0.9001589E-16 GRAD(Rho)y -0.4877826E-15 GRAD(Rho)z -0.6052559E-15 Laplacian 0.7303611E+00 (-1/4)Del**2(Rho)) -0.1825903E+00 Diamond 0.1912969E+01 Metallicity 0.5740175E+01 Ellipticity 0.4655741E-01 Gb(Abramov) 0.2964102E+00 Vb(Abramov) -0.4102301E+00 Hb(Abramov) -0.1138199E+00 Ex_ueg -0.7865591E-01 Ec_ueg -0.1081491E-01 Delta_ex -0.8273776E-01 Delta_ec 0.1740781E-01 Delta_et -0.2374524E+00 Pxc 0.7272917E+01 Qxc -0.4752910E+01 3,-1 139 3 -1 2.793175 1.806405 0.578758 Rho 0.1420537E+00 |GRAD(Rho)| 0.1991466E-15 GRAD(Rho)x 0.7138794E-16 GRAD(Rho)y -0.9030049E-16 GRAD(Rho)z -0.1625084E-15 Laplacian 0.5968765E+00 (-1/4)Del**2(Rho)) -0.1492191E+00 Diamond 0.1136651E+01 Metallicity 0.4464949E+01 Ellipticity 0.1295734E-01 Gb(Abramov) 0.2105220E+00 Vb(Abramov) -0.2718250E+00 Hb(Abramov) -0.6130292E-01 Ex_ueg -0.5474216E-01 Ec_ueg -0.7936796E-02 Delta_ex -0.6328896E-01 Delta_ec 0.1541811E-01 Delta_et -0.2037940E+00 Pxc 0.6897263E+01 Qxc -0.4104845E+01 3,-1 140 3 -1 -3.217672 3.144333 -0.072241 Rho 0.2374668E+00 |GRAD(Rho)| 0.3357589E-15 GRAD(Rho)x -0.1916327E-15 GRAD(Rho)y 0.2412350E-15 GRAD(Rho)z -0.1334788E-15 Laplacian 0.8684173E+00 (-1/4)Del**2(Rho)) -0.2171043E+00 Diamond 0.3028713E+01 Metallicity 0.7225859E+01 Ellipticity 0.7348933E-02 Gb(Abramov) 0.4061971E+00 Vb(Abramov) -0.5952899E+00 Hb(Abramov) -0.1890928E+00 Ex_ueg -0.1086064E+00 Ec_ueg -0.1426418E-01 Delta_ex -0.1046125E+00 Delta_ec 0.1920913E-01 Delta_et -0.2658264E+00 Pxc 0.7613930E+01 Qxc -0.5445978E+01 3,-1 141 3 -1 -2.100622 -0.885089 -3.257467 Rho 0.2238406E+00 |GRAD(Rho)| 0.9139396E-15 GRAD(Rho)x -0.5748982E-15 GRAD(Rho)y 0.5166223E-15 GRAD(Rho)z 0.4877283E-15 Laplacian 0.8562568E+00 (-1/4)Del**2(Rho)) -0.2140642E+00 Diamond 0.2753583E+01 Metallicity 0.6641111E+01 Ellipticity 0.1689403E-01 Gb(Abramov) 0.3796468E+00 Vb(Abramov) -0.5452294E+00 Hb(Abramov) -0.1655826E+00 Ex_ueg -0.1003776E+00 Ec_ueg -0.1332922E-01 Delta_ex -0.1014125E+00 Delta_ec 0.1897953E-01 Delta_et -0.2607985E+00 Pxc 0.7530646E+01 Qxc -0.5343256E+01 3,-1 142 3 -1 -2.971129 -0.934461 -2.079053 Rho 0.1215231E+00 |GRAD(Rho)| 0.5544543E-13 GRAD(Rho)x 0.2279507E-13 GRAD(Rho)y -0.3069958E-13 GRAD(Rho)z 0.4015116E-13 Laplacian 0.4642995E+00 (-1/4)Del**2(Rho)) -0.1160749E+00 Diamond 0.7380181E+00 Metallicity 0.4424996E+01 Ellipticity 0.2867082E-01 Gb(Abramov) 0.1629884E+00 Vb(Abramov) -0.2099019E+00 Hb(Abramov) -0.4691351E-01 Ex_ueg -0.4445596E-01 Ec_ueg -0.6646366E-02 Delta_ex -0.4747883E-01 Delta_ec 0.1256858E-01 Delta_et -0.1621921E+00 Pxc 0.6688763E+01 Qxc -0.3777582E+01 3,-1 143 3 -1 -1.795068 -0.562978 2.840146 Rho 0.1513298E+00 |GRAD(Rho)| 0.5375146E-15 GRAD(Rho)x -0.3799858E-15 GRAD(Rho)y 0.3677072E-15 GRAD(Rho)z -0.9656176E-16 Laplacian 0.6350203E+00 (-1/4)Del**2(Rho)) -0.1587551E+00 Diamond 0.1298518E+01 Metallicity 0.4663370E+01 Ellipticity 0.2109798E-01 Gb(Abramov) 0.2292257E+00 Vb(Abramov) -0.2996963E+00 Hb(Abramov) -0.7047059E-01 Ex_ueg -0.5955952E-01 Ec_ueg -0.8528698E-02 Delta_ex -0.6832307E-01 Delta_ec 0.1604028E-01 Delta_et -0.2137039E+00 Pxc 0.6983425E+01 Qxc -0.4259468E+01 3,-1 144 3 -1 0.822499 2.958182 -1.946095 Rho 0.1239816E+00 |GRAD(Rho)| 0.1443803E-15 GRAD(Rho)x 0.7384094E-16 GRAD(Rho)y -0.2335778E-16 GRAD(Rho)z 0.1218508E-15 Laplacian 0.4881927E+00 (-1/4)Del**2(Rho)) -0.1220482E+00 Diamond 0.7794846E+00 Metallicity 0.4351282E+01 Ellipticity 0.4072050E-01 Gb(Abramov) 0.1698764E+00 Vb(Abramov) -0.2177047E+00 Hb(Abramov) -0.4782827E-01 Ex_ueg -0.4565917E-01 Ec_ueg -0.6799413E-02 Delta_ex -0.4996306E-01 Delta_ec 0.1280005E-01 Delta_et -0.1651506E+00 Pxc 0.6715163E+01 Qxc -0.3903350E+01 3,-1 145 3 -1 0.597424 2.814584 1.806253 Rho 0.1522916E+00 |GRAD(Rho)| 0.2024899E-11 GRAD(Rho)x -0.1336684E-11 GRAD(Rho)y -0.4477128E-12 GRAD(Rho)z 0.1453632E-11 Laplacian 0.6339051E+00 (-1/4)Del**2(Rho)) -0.1584763E+00 Diamond 0.1290377E+01 Metallicity 0.4721162E+01 Ellipticity 0.2906995E-01 Gb(Abramov) 0.2303495E+00 Vb(Abramov) -0.3022228E+00 Hb(Abramov) -0.7187326E-01 Ex_ueg -0.6006475E-01 Ec_ueg -0.8590371E-02 Delta_ex -0.6815574E-01 Delta_ec 0.1571212E-01 Delta_et -0.2088636E+00 Pxc 0.6992102E+01 Qxc -0.4337782E+01 3,-1 146 3 -1 1.631542 0.377972 -1.758003 Rho 0.3800817E-01 |GRAD(Rho)| 0.8850629E-16 GRAD(Rho)x 0.3637985E-16 GRAD(Rho)y -0.2950078E-16 GRAD(Rho)z -0.7509709E-16 Laplacian 0.1450423E+00 (-1/4)Del**2(Rho)) -0.3626057E-01 Diamond 0.5053522E-01 Metallicity 0.2041331E+01 Ellipticity 0.2720960E-01 Gb(Abramov) 0.3651035E-01 Vb(Abramov) -0.3676013E-01 Hb(Abramov) -0.2497792E-03 Ex_ueg -0.9438166E-02 Ec_ueg -0.1763611E-02 Delta_ex -0.1114326E-01 Delta_ec 0.4317865E-02 Delta_et -0.4232240E-01 Pxc 0.5351613E+01 Qxc -0.2580733E+01 3,-1 147 3 -1 1.776401 0.549472 2.779583 Rho 0.1334298E+00 |GRAD(Rho)| 0.1939782E-15 GRAD(Rho)x -0.7884860E-16 GRAD(Rho)y 0.1618714E-15 GRAD(Rho)z 0.7216721E-16 Laplacian 0.5572880E+00 (-1/4)Del**2(Rho)) -0.1393220E+00 Diamond 0.9807756E+00 Metallicity 0.4308123E+01 Ellipticity 0.1427442E-01 Gb(Abramov) 0.1929174E+00 Vb(Abramov) -0.2465128E+00 Hb(Abramov) -0.5359538E-01 Ex_ueg -0.5035648E-01 Ec_ueg -0.7391376E-02 Delta_ex -0.5815809E-01 Delta_ec 0.1454121E-01 Delta_et -0.1902113E+00 Pxc 0.6812870E+01 Qxc -0.3999535E+01 3,-1 148 3 -1 2.709792 -1.859236 -0.620989 Rho 0.1436222E+00 |GRAD(Rho)| 0.3932234E-15 GRAD(Rho)x 0.1181509E-15 GRAD(Rho)y 0.2654940E-15 GRAD(Rho)z -0.2649112E-15 Laplacian 0.5933221E+00 (-1/4)Del**2(Rho)) -0.1483305E+00 Diamond 0.1147448E+01 Metallicity 0.4574656E+01 Ellipticity 0.7551006E-02 Gb(Abramov) 0.2119805E+00 Vb(Abramov) -0.2756305E+00 Hb(Abramov) -0.6365000E-01 Ex_ueg -0.5554952E-01 Ec_ueg -0.8036498E-02 Delta_ex -0.6310791E-01 Delta_ec 0.1533354E-01 Delta_et -0.2031109E+00 Pxc 0.6912155E+01 Qxc -0.4115677E+01 3,-1 149 3 -1 2.939544 0.772057 -2.005243 Rho 0.8149382E-01 |GRAD(Rho)| 0.1180559E-15 GRAD(Rho)x 0.2103183E-16 GRAD(Rho)y -0.1126588E-15 GRAD(Rho)z -0.2833495E-16 Laplacian 0.3308376E+00 (-1/4)Del**2(Rho)) -0.8270941E-01 Diamond 0.3186764E+00 Metallicity 0.3190603E+01 Ellipticity 0.3895969E-02 Gb(Abramov) 0.9912175E-01 Vb(Abramov) -0.1155341E+00 Hb(Abramov) -0.1641234E-01 Ex_ueg -0.2609464E-01 Ec_ueg -0.4218399E-02 Delta_ex -0.3070192E-01 Delta_ec 0.9532899E-02 Delta_et -0.1133369E+00 Pxc 0.6185910E+01 Qxc -0.3220627E+01 3,-1 150 3 +1 -0.289197 -1.010325 -2.581486 Rho 0.3148047E-02 |GRAD(Rho)| 0.5373950E-17 GRAD(Rho)x 0.5939819E-18 GRAD(Rho)y 0.1353559E-17 GRAD(Rho)z 0.5166663E-17 Laplacian 0.1259739E-01 (-1/4)Del**2(Rho)) -0.3149347E-02 Diamond 0.1150632E-03 Metallicity 0.3698860E+00 Ellipticity -0.1316066E+01 Gb(Abramov) 0.2293715E-02 Vb(Abramov) -0.1438082E-02 Hb(Abramov) 0.8556325E-03 Ex_ueg -0.3407532E-03 Ec_ueg -0.6810754E-04 Delta_ex -0.5010112E-03 Delta_ec 0.2651955E-03 Delta_et -0.1307132E-02 Pxc 0.5003165E+01 Qxc -0.1889215E+01 3,+1 151 3 -1 -2.769960 0.490809 -1.871051 Rho 0.7011652E-01 |GRAD(Rho)| 0.3171701E-15 GRAD(Rho)x 0.4921812E-16 GRAD(Rho)y -0.1630818E-15 GRAD(Rho)z -0.2675421E-15 Laplacian 0.2979735E+00 (-1/4)Del**2(Rho)) -0.7449337E-01 Diamond 0.2416932E+00 Metallicity 0.2757207E+01 Ellipticity 0.5466151E-02 Gb(Abramov) 0.8389453E-01 Vb(Abramov) -0.9329568E-01 Hb(Abramov) -0.9401154E-02 Ex_ueg -0.2135398E-01 Ec_ueg -0.3553818E-02 Delta_ex -0.2680273E-01 Delta_ec 0.8977304E-02 Delta_et -0.1032158E+00 Pxc 0.6008742E+01 Qxc -0.2985610E+01 3,-1 152 3 -1 1.696794 1.638609 -0.536072 Rho 0.3270665E-01 |GRAD(Rho)| 0.3432867E-16 GRAD(Rho)x 0.1550356E-16 GRAD(Rho)y -0.2916885E-16 GRAD(Rho)z -0.9342138E-17 Laplacian 0.1240842E+00 (-1/4)Del**2(Rho)) -0.3102105E-01 Diamond 0.3403138E-01 Metallicity 0.1857619E+01 Ellipticity 0.3489560E-01 Gb(Abramov) 0.3028492E-01 Vb(Abramov) -0.2954879E-01 Hb(Abramov) 0.7361326E-03 Ex_ueg -0.7725023E-02 Ec_ueg -0.1484046E-02 Delta_ex -0.9095870E-02 Delta_ec 0.3532621E-02 Delta_et -0.3323292E-01 Pxc 0.5205380E+01 Qxc -0.2574822E+01 3,-1 153 3 -1 1.742519 -2.963486 -0.571035 Rho 0.2196513E+00 |GRAD(Rho)| 0.8843890E-13 GRAD(Rho)x 0.6304186E-13 GRAD(Rho)y 0.3169269E-13 GRAD(Rho)z 0.5331732E-13 Laplacian 0.8631037E+00 (-1/4)Del**2(Rho)) -0.2157759E+00 Diamond 0.2711556E+01 Metallicity 0.6384200E+01 Ellipticity 0.2503580E-01 Gb(Abramov) 0.3734434E+00 Vb(Abramov) -0.5311109E+00 Hb(Abramov) -0.1576675E+00 Ex_ueg -0.9788064E-01 Ec_ueg -0.1304382E-01 Delta_ex -0.1017134E+00 Delta_ec 0.1921795E-01 Delta_et -0.2637653E+00 Pxc 0.7503985E+01 Qxc -0.5292624E+01 3,-1 154 3 -1 1.932639 -3.016398 0.850577 Rho 0.1239675E+00 |GRAD(Rho)| 0.3180795E-12 GRAD(Rho)x -0.1455590E-12 GRAD(Rho)y -0.1272032E-12 GRAD(Rho)z 0.2525995E-12 Laplacian 0.4826575E+00 (-1/4)Del**2(Rho)) -0.1206644E+00 Diamond 0.7896334E+00 Metallicity 0.4400348E+01 Ellipticity 0.1913800E-01 Gb(Abramov) 0.1689371E+00 Vb(Abramov) -0.2172099E+00 Hb(Abramov) -0.4827275E-01 Ex_ueg -0.4565224E-01 Ec_ueg -0.6798533E-02 Delta_ex -0.4964044E-01 Delta_ec 0.1309307E-01 Delta_et -0.1696964E+00 Pxc 0.6715013E+01 Qxc -0.3791352E+01 3,-1 155 3 -1 -2.746284 -0.542255 1.845167 Rho 0.1317513E+00 |GRAD(Rho)| 0.6238764E-15 GRAD(Rho)x 0.2161899E-15 GRAD(Rho)y 0.3676123E-15 GRAD(Rho)z 0.4553514E-15 Laplacian 0.5498375E+00 (-1/4)Del**2(Rho)) -0.1374594E+00 Diamond 0.9575025E+00 Metallicity 0.4275338E+01 Ellipticity 0.1203057E-01 Gb(Abramov) 0.1895871E+00 Vb(Abramov) -0.2417149E+00 Hb(Abramov) -0.5212776E-01 Ex_ueg -0.4951366E-01 Ec_ueg -0.7285782E-02 Delta_ex -0.5725786E-01 Delta_ec 0.1448448E-01 Delta_et -0.1892668E+00 Pxc 0.6795930E+01 Qxc -0.3953048E+01 3,-1 156 3 -1 -3.223926 0.042647 -3.224610 Rho 0.2231423E+00 |GRAD(Rho)| 0.3569741E-10 GRAD(Rho)x -0.2762813E-10 GRAD(Rho)y 0.1128264E-10 GRAD(Rho)z -0.1958810E-10 Laplacian 0.8128798E+00 (-1/4)Del**2(Rho)) -0.2032199E+00 Diamond 0.2643715E+01 Metallicity 0.6959158E+01 Ellipticity 0.1927209E-01 Gb(Abramov) 0.3711866E+00 Vb(Abramov) -0.5391532E+00 Hb(Abramov) -0.1679666E+00 Ex_ueg -0.9996031E-01 Ec_ueg -0.1328158E-01 Delta_ex -0.9642824E-01 Delta_ec 0.1844734E-01 Delta_et -0.2551388E+00 Pxc 0.7526237E+01 Qxc -0.5227216E+01 3,-1 157 3 -1 -3.167571 -0.039779 3.249909 Rho 0.2413719E+00 |GRAD(Rho)| 0.1160534E-10 GRAD(Rho)x 0.8212242E-11 GRAD(Rho)y 0.1949375E-11 GRAD(Rho)z -0.7965114E-11 Laplacian 0.8797104E+00 (-1/4)Del**2(Rho)) -0.2199276E+00 Diamond 0.3132138E+01 Metallicity 0.7329675E+01 Ellipticity 0.1087215E-02 Gb(Abramov) 0.4152847E+00 Vb(Abramov) -0.6106418E+00 Hb(Abramov) -0.1953571E+00 Ex_ueg -0.1109943E+00 Ec_ueg -0.1453400E-01 Delta_ex -0.1064423E+00 Delta_ec 0.1939534E-01 Delta_et -0.2686864E+00 Pxc 0.7636872E+01 Qxc -0.5488035E+01 3,-1 158 3 -1 -1.702143 1.647061 0.474652 Rho 0.4182831E-01 |GRAD(Rho)| 0.8941686E-16 GRAD(Rho)x 0.4857734E-16 GRAD(Rho)y -0.6713774E-16 GRAD(Rho)z 0.3358782E-16 Laplacian 0.1625570E+00 (-1/4)Del**2(Rho)) -0.4063925E-01 Diamond 0.6389409E-01 Metallicity 0.2136607E+01 Ellipticity 0.1404481E-01 Gb(Abramov) 0.4156452E-01 Vb(Abramov) -0.4248978E-01 Hb(Abramov) -0.9252674E-03 Ex_ueg -0.1072372E-01 Ec_ueg -0.1968419E-02 Delta_ex -0.1275481E-01 Delta_ec 0.4775654E-02 Delta_et -0.4802463E-01 Pxc 0.5447884E+01 Qxc -0.2670799E+01 3,-1 159 3 -1 2.727496 -0.657845 -1.851582 Rho 0.1404655E+00 |GRAD(Rho)| 0.1686641E-13 GRAD(Rho)x -0.3211508E-14 GRAD(Rho)y 0.9836289E-14 GRAD(Rho)z -0.1331952E-13 Laplacian 0.5783571E+00 (-1/4)Del**2(Rho)) -0.1445893E+00 Diamond 0.1092750E+01 Metallicity 0.4522372E+01 Ellipticity 0.5990793E-02 Gb(Abramov) 0.2053740E+00 Vb(Abramov) -0.2661586E+00 Hb(Abramov) -0.6078466E-01 Ex_ueg -0.5392760E-01 Ec_ueg -0.7835988E-02 Delta_ex -0.6122431E-01 Delta_ec 0.1509995E-01 Delta_et -0.1995003E+00 Pxc 0.6882043E+01 Qxc -0.4054604E+01 3,-1 160 3 -1 2.759170 0.568266 1.830337 Rho 0.1387582E+00 |GRAD(Rho)| 0.9124041E-13 GRAD(Rho)x 0.6871804E-13 GRAD(Rho)y -0.1561362E-13 GRAD(Rho)z -0.5795565E-13 Laplacian 0.5865373E+00 (-1/4)Del**2(Rho)) -0.1466343E+00 Diamond 0.1086907E+01 Metallicity 0.4369335E+01 Ellipticity 0.1249125E-01 Gb(Abramov) 0.2045386E+00 Vb(Abramov) -0.2624429E+00 Hb(Abramov) -0.5790431E-01 Ex_ueg -0.5305545E-01 Ec_ueg -0.7727808E-02 Delta_ex -0.6184938E-01 Delta_ec 0.1525754E-01 Delta_et -0.2009974E+00 Pxc 0.6865523E+01 Qxc -0.4053693E+01 3,-1 161 3 -1 -0.584185 -1.833137 2.824241 Rho 0.1230541E+00 |GRAD(Rho)| 0.2325022E-13 GRAD(Rho)x 0.1402531E-13 GRAD(Rho)y -0.1833258E-13 GRAD(Rho)z -0.2789317E-14 Laplacian 0.5121296E+00 (-1/4)Del**2(Rho)) -0.1280324E+00 Diamond 0.8117323E+00 Metallicity 0.4096318E+01 Ellipticity 0.5189242E-02 Gb(Abramov) 0.1727652E+00 Vb(Abramov) -0.2174979E+00 Hb(Abramov) -0.4473277E-01 Ex_ueg -0.4520433E-01 Ec_ueg -0.6741629E-02 Delta_ex -0.5233626E-01 Delta_ec 0.1348341E-01 Delta_et -0.1738044E+00 Pxc 0.6705253E+01 Qxc -0.3881529E+01 3,-1 162 3 -1 2.938167 -0.856845 1.990625 Rho 0.1731120E+00 |GRAD(Rho)| 0.3369734E-13 GRAD(Rho)x 0.2282899E-13 GRAD(Rho)y 0.6533673E-14 GRAD(Rho)z -0.2390940E-13 Laplacian 0.6803061E+00 (-1/4)Del**2(Rho)) -0.1700765E+00 Diamond 0.1632074E+01 Metallicity 0.5446538E+01 Ellipticity 0.4814319E-01 Gb(Abramov) 0.2677724E+00 Vb(Abramov) -0.3654683E+00 Hb(Abramov) -0.9769588E-01 Ex_ueg -0.7125595E-01 Ec_ueg -0.9939081E-02 Delta_ex -0.7565799E-01 Delta_ec 0.1656363E-01 Delta_et -0.2242928E+00 Pxc 0.7169270E+01 Qxc -0.4567719E+01 3,-1 163 3 -1 -2.962018 0.853896 2.033538 Rho 0.1434446E+00 |GRAD(Rho)| 0.1122960E-11 GRAD(Rho)x -0.4983079E-12 GRAD(Rho)y 0.7906780E-12 GRAD(Rho)z -0.6225410E-12 Laplacian 0.5726955E+00 (-1/4)Del**2(Rho)) -0.1431739E+00 Diamond 0.1101230E+01 Metallicity 0.4729656E+01 Ellipticity 0.3970088E-01 Gb(Abramov) 0.2083098E+00 Vb(Abramov) -0.2734457E+00 Hb(Abramov) -0.6513591E-01 Ex_ueg -0.5545796E-01 Ec_ueg -0.8025201E-02 Delta_ex -0.6084609E-01 Delta_ec 0.1471656E-01 Delta_et -0.1947130E+00 Pxc 0.6910475E+01 Qxc -0.4134532E+01 3,-1 164 3 -1 -1.812875 2.752691 -0.565873 Rho 0.1440849E+00 |GRAD(Rho)| 0.5766801E-15 GRAD(Rho)x 0.4094896E-15 GRAD(Rho)y 0.1027620E-15 GRAD(Rho)z -0.3928336E-15 Laplacian 0.5948222E+00 (-1/4)Del**2(Rho)) -0.1487056E+00 Diamond 0.1155236E+01 Metallicity 0.4587649E+01 Ellipticity 0.1340362E-01 Gb(Abramov) 0.2128385E+00 Vb(Abramov) -0.2769715E+00 Hb(Abramov) -0.6413296E-01 Ex_ueg -0.5578829E-01 Ec_ueg -0.8065945E-02 Delta_ex -0.6332171E-01 Delta_ec 0.1536834E-01 Delta_et -0.2036862E+00 Pxc 0.6916523E+01 Qxc -0.4120271E+01 3,-1 165 3 -1 -0.602926 -2.798073 1.866290 Rho 0.1471491E+00 |GRAD(Rho)| 0.2417575E-15 GRAD(Rho)x -0.1350238E-15 GRAD(Rho)y 0.1750072E-15 GRAD(Rho)z 0.9791701E-16 Laplacian 0.6159925E+00 (-1/4)Del**2(Rho)) -0.1539981E+00 Diamond 0.1199291E+01 Metallicity 0.4588108E+01 Ellipticity 0.3741299E-01 Gb(Abramov) 0.2204254E+00 Vb(Abramov) -0.2868527E+00 Hb(Abramov) -0.6642729E-01 Ex_ueg -0.5737575E-01 Ec_ueg -0.8261264E-02 Delta_ex -0.6563061E-01 Delta_ec 0.1532820E-01 Delta_et -0.2026561E+00 Pxc 0.6945155E+01 Qxc -0.4281691E+01 3,-1 166 3 -1 -0.082994 -3.219281 3.232392 Rho 0.2311195E+00 |GRAD(Rho)| 0.3550882E-12 GRAD(Rho)x 0.6501521E-13 GRAD(Rho)y 0.2406734E-12 GRAD(Rho)z -0.2528576E-12 Laplacian 0.8267335E+00 (-1/4)Del**2(Rho)) -0.2066834E+00 Diamond 0.2810249E+01 Metallicity 0.7255078E+01 Ellipticity 0.1525113E-02 Gb(Abramov) 0.3877062E+00 Vb(Abramov) -0.5687291E+00 Hb(Abramov) -0.1810229E+00 Ex_ueg -0.1047532E+00 Ec_ueg -0.1382739E-01 Delta_ex -0.9899924E-01 Delta_ec 0.1862697E-01 Delta_et -0.2583107E+00 Pxc 0.7575773E+01 Qxc -0.5314833E+01 3,-1 167 3 -1 1.841447 2.781594 0.558984 Rho 0.1180664E+00 |GRAD(Rho)| 0.7243531E-12 GRAD(Rho)x 0.5396638E-12 GRAD(Rho)y -0.1120173E-12 GRAD(Rho)z -0.4700026E-12 Laplacian 0.4972686E+00 (-1/4)Del**2(Rho)) -0.1243171E+00 Diamond 0.7593916E+00 Metallicity 0.3937610E+01 Ellipticity 0.1503088E-01 Gb(Abramov) 0.1644635E+00 Vb(Abramov) -0.2046099E+00 Hb(Abramov) -0.4014635E-01 Ex_ueg -0.4277797E-01 Ec_ueg -0.6431889E-02 Delta_ex -0.5044683E-01 Delta_ec 0.1345175E-01 Delta_et -0.1725462E+00 Pxc 0.6650918E+01 Qxc -0.3750207E+01 3,-1 168 3 -1 -1.670697 0.497019 1.717583 Rho 0.4072992E-01 |GRAD(Rho)| 0.9945755E-17 GRAD(Rho)x 0.5579406E-17 GRAD(Rho)y 0.8064812E-17 GRAD(Rho)z 0.1657432E-17 Laplacian 0.1583357E+00 (-1/4)Del**2(Rho)) -0.3958393E-01 Diamond 0.5980344E-01 Metallicity 0.2098409E+01 Ellipticity 0.1360468E-01 Gb(Abramov) 0.4023317E-01 Vb(Abramov) -0.4088241E-01 Hb(Abramov) -0.6492380E-03 Ex_ueg -0.1034991E-01 Ec_ueg -0.1909261E-02 Delta_ex -0.1232909E-01 Delta_ec 0.4630273E-02 Delta_et -0.4622956E-01 Pxc 0.5420899E+01 Qxc -0.2662713E+01 3,-1 169 3 -1 -1.956051 0.863553 3.032566 Rho 0.1604164E+00 |GRAD(Rho)| 0.9751753E-16 GRAD(Rho)x 0.8551645E-17 GRAD(Rho)y 0.6632607E-16 GRAD(Rho)z -0.7097458E-16 Laplacian 0.6327886E+00 (-1/4)Del**2(Rho)) -0.1581972E+00 Diamond 0.1389601E+01 Metallicity 0.5157458E+01 Ellipticity 0.5224147E-01 Gb(Abramov) 0.2414473E+00 Vb(Abramov) -0.3246975E+00 Hb(Abramov) -0.8325016E-01 Ex_ueg -0.6437492E-01 Ec_ueg -0.9113613E-02 Delta_ex -0.6908750E-01 Delta_ec 0.1578014E-01 Delta_et -0.2119344E+00 Pxc 0.7063600E+01 Qxc -0.4378130E+01 3,-1 170 3 -1 1.990648 2.967429 -0.831387 Rho 0.1480043E+00 |GRAD(Rho)| 0.3664168E-15 GRAD(Rho)x -0.1608414E-15 GRAD(Rho)y 0.1070785E-15 GRAD(Rho)z -0.3113287E-15 Laplacian 0.5830612E+00 (-1/4)Del**2(Rho)) -0.1457653E+00 Diamond 0.1168826E+01 Metallicity 0.4894286E+01 Ellipticity 0.3374662E-01 Gb(Abramov) 0.2160797E+00 Vb(Abramov) -0.2863941E+00 Hb(Abramov) -0.7031442E-01 Ex_ueg -0.5782079E-01 Ec_ueg -0.8315880E-02 Delta_ex -0.6247159E-01 Delta_ec 0.1495343E-01 Delta_et -0.1989363E+00 Pxc 0.6953057E+01 Qxc -0.4177743E+01 3,-1 171 3 -1 -0.456303 -0.405732 -0.385543 Rho 0.2075079E+00 |GRAD(Rho)| 0.2493453E-15 GRAD(Rho)x -0.2175817E-15 GRAD(Rho)y 0.1161265E-15 GRAD(Rho)z 0.3668727E-16 Laplacian 0.7702186E+00 (-1/4)Del**2(Rho)) -0.1925547E+00 Diamond 0.2517144E+01 Metallicity 0.6507141E+01 Ellipticity 0.3482670E-01 Gb(Abramov) 0.3371998E+00 Vb(Abramov) -0.4818450E+00 Hb(Abramov) -0.1446452E+00 Ex_ueg -0.9073286E-01 Ec_ueg -0.1222202E-01 Delta_ex -0.9110632E-01 Delta_ec 0.2039856E-01 Delta_et -0.2901186E+00 Pxc 0.7423721E+01 Qxc -0.4466311E+01 3,-1 172 3 +3 -1.812350 1.825516 1.860482 Rho 0.1204464E-01 |GRAD(Rho)| 0.8759223E-17 GRAD(Rho)x 0.5715943E-17 GRAD(Rho)y -0.4619273E-17 GRAD(Rho)z -0.4765953E-17 Laplacian 0.5457083E-01 (-1/4)Del**2(Rho)) -0.1364271E-01 Diamond 0.1142726E-02 Metallicity 0.7991760E+00 Ellipticity -0.5808860E+00 Gb(Abramov) 0.1091229E-01 Vb(Abramov) -0.8181878E-02 Hb(Abramov) 0.2730415E-02 Ex_ueg -0.2039124E-02 Ec_ueg -0.4616302E-03 Delta_ex -0.2381632E-02 Delta_ec 0.1666458E-03 Delta_et -0.1666145E-02 Pxc 0.4417223E+01 Qxc -0.1429158E+02 3,+3 173 3 -1 0.301961 -0.421926 0.324087 Rho 0.1975802E+00 |GRAD(Rho)| 0.3241215E-15 GRAD(Rho)x 0.2535583E-15 GRAD(Rho)y -0.1724056E-15 GRAD(Rho)z 0.1050679E-15 Laplacian 0.6657127E+00 (-1/4)Del**2(Rho)) -0.1664282E+00 Diamond 0.2087705E+01 Metallicity 0.6937966E+01 Ellipticity 0.8096348E-02 Gb(Abramov) 0.3033976E+00 Vb(Abramov) -0.4403671E+00 Hb(Abramov) -0.1369695E+00 Ex_ueg -0.8499168E-01 Ec_ueg -0.1155625E-01 Delta_ex -0.7803952E-01 Delta_ec 0.1830514E-01 Delta_et -0.2601508E+00 Pxc 0.7354608E+01 Qxc -0.4263256E+01 3,-1 174 3 -1 0.307713 0.299571 -0.406393 Rho 0.1982567E+00 |GRAD(Rho)| 0.1076991E-13 GRAD(Rho)x -0.6170708E-14 GRAD(Rho)y -0.6492788E-14 GRAD(Rho)z 0.5979712E-14 Laplacian 0.6698494E+00 (-1/4)Del**2(Rho)) -0.1674623E+00 Diamond 0.2108299E+01 Metallicity 0.6934512E+01 Ellipticity 0.5077423E-02 Gb(Abramov) 0.3051865E+00 Vb(Abramov) -0.4429107E+00 Hb(Abramov) -0.1377242E+00 Ex_ueg -0.8537990E-01 Ec_ueg -0.1160144E-01 Delta_ex -0.7858388E-01 Delta_ec 0.1839044E-01 Delta_et -0.2614439E+00 Pxc 0.7359422E+01 Qxc -0.4273083E+01 3,-1 175 3 -1 1.959123 0.798736 -3.005335 Rho 0.1277017E+00 |GRAD(Rho)| 0.1676911E-15 GRAD(Rho)x -0.1162807E-16 GRAD(Rho)y 0.1670213E-15 GRAD(Rho)z -0.9432559E-17 Laplacian 0.4956562E+00 (-1/4)Del**2(Rho)) -0.1239140E+00 Diamond 0.8412040E+00 Metallicity 0.4502223E+01 Ellipticity 0.2232134E-01 Gb(Abramov) 0.1755908E+00 Vb(Abramov) -0.2272676E+00 Hb(Abramov) -0.5167676E-01 Ex_ueg -0.4749492E-01 Ec_ueg -0.7031778E-02 Delta_ex -0.5135063E-01 Delta_ec 0.1337135E-01 Delta_et -0.1742207E+00 Pxc 0.6754326E+01 Qxc -0.3840347E+01 3,-1 176 3 -1 3.240818 3.180860 0.035765 Rho 0.2406303E+00 |GRAD(Rho)| 0.1471542E-14 GRAD(Rho)x 0.7739035E-15 GRAD(Rho)y 0.1251603E-14 GRAD(Rho)z -0.3523657E-18 Laplacian 0.8666567E+00 (-1/4)Del**2(Rho)) -0.2166642E+00 Diamond 0.3083048E+01 Metallicity 0.7402012E+01 Ellipticity 0.3759929E-02 Gb(Abramov) 0.4117346E+00 Vb(Abramov) -0.6068050E+00 Hb(Abramov) -0.1950704E+00 Ex_ueg -0.1105398E+00 Ec_ueg -0.1448269E-01 Delta_ex -0.1048252E+00 Delta_ec 0.1920832E-01 Delta_et -0.2664380E+00 Pxc 0.7632546E+01 Qxc -0.5457281E+01 3,-1 177 3 -1 -0.738293 -3.422034 -1.278221 Rho 0.3067152E+00 |GRAD(Rho)| 0.1222245E-13 GRAD(Rho)x -0.6035789E-14 GRAD(Rho)y 0.6447439E-14 GRAD(Rho)z 0.8449145E-14 Laplacian -0.1571112E+01 (-1/4)Del**2(Rho)) 0.3927779E+00 Diamond 0.5282293E+01 Metallicity -0.6118310E+01 Ellipticity 0.2143886E-02 Gb(Abramov) 0.1386709E+00 Vb(Abramov) -0.6701198E+00 Hb(Abramov) -0.5314489E+00 Ex_ueg -0.1527679E+00 Ec_ueg -0.1917299E-01 Delta_ex 0.1536224E+00 Delta_ec 0.5525988E-01 Delta_et -0.1287487E+01 Pxc 0.7967869E+01 Qxc 0.2779998E+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 89 161 165 90 84 166 173 171 174 71 128 115 121 133 144 125 119 130 145 120 122 127 134 148 153 102 154 101 152 139 167 138 170 176 158 111 164 113 126 140 107 57 60 56 59 108 70 151 117 142 141 156 168 155 143 163 169 157 81 160 147 162 96 104 146 159 92 149 175 103 64 55 129 67 177 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 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 27 52 52 2.487965 1.968718 1.896129 1.966915 1.911981 1.731041 1.569334 1.545511 1.567932 1.573745 2.446935 1.911701 1.951219 1.923852 1.975253 1.731216 2.493555 1.930206 1.883097 2.021945 1.910915 1.734399 2.447138 1.929785 1.774467 2.106250 1.999518 1.750536 2.554300 1.933300 2.007727 1.839048 1.928346 1.742756 2.447850 1.818656 1.930137 1.962692 2.026053 1.747626 2.343245 1.923251 1.993400 1.910882 1.926817 1.741433 2.439056 2.198848 1.968258 1.984467 1.742570 1.744795 2.458733 1.965444 1.909601 1.940299 1.897270 1.741339 2.514126 1.942118 1.960122 1.868161 1.934120 1.742387 2.485899 1.938371 1.748462 2.168079 1.987575 1.754040 3.083985 3.099024 3.277833 1.705031 1.008431 2.489007 1.969261 1.896793 1.967713 1.912742 1.731054 1.569368 1.545622 1.567970 1.573757 2.448155 1.912261 1.951871 1.924643 1.976072 1.731232 2.494611 1.930778 1.883614 2.022675 1.911644 1.734412 2.448217 1.930223 1.774591 2.106795 2.000112 1.750558 2.555322 1.933704 2.008158 1.839409 1.928874 1.742766 2.448847 1.818982 1.930505 1.963245 2.026579 1.747640 2.344812 1.923792 1.993880 1.911498 1.928099 1.741444 2.440599 2.199356 1.968838 1.985235 1.742618 1.744832 2.459865 1.965851 1.910090 1.940869 1.897793 1.741341 2.515175 1.942540 1.960621 1.868613 1.934646 1.742394 2.486989 1.938766 1.748494 2.168616 1.988152 1.754073 3.101400 3.100714 3.282556 1.706810 1.008553 29 23 23 23 25 21 21 21 21 22 31 23 25 25 26 22 29 26 26 27 24 25 27 25 24 25 25 22 29 23 26 23 23 21 27 22 23 23 25 22 27 27 27 27 27 21 27 25 23 23 22 22 29 23 23 23 26 20 29 25 24 22 23 23 29 25 22 25 23 23 33 33 35 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo P Mo Mo W W W W Mo 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 H 2.3184 2.2877 2.3148 2.3145 2.3767 2.4291 2.4362 2.4477 2.2483 2.4453 2.4411 2.3362 -1.0479 -0.9889 -1.0450 -1.0477 -0.9575 -0.9904 -0.9109 -0.9705 -0.7627 -0.9310 -0.9203 -0.9303 -0.9324 -0.9247 -0.9200 -0.8306 -0.9626 -0.9607 -0.9472 -0.9779 -0.9401 -0.9409 -0.9408 -0.7082 -0.7940 -0.9374 -0.9358 -0.9382 -0.7253 -0.8349 -0.7213 -0.7369 -0.8257 -0.8080 -0.8197 -0.7943 -0.7504 -0.8018 -0.8067 0.3238 1.9521 2.5109 1.9557 1.9701 2.1232 2.0993 2.0936 2.1144 1.9943 2.0927 2.0952 2.1329 1.8962 1.8997 1.8978 1.8945 1.9326 1.9308 1.9450 1.9312 1.9684 1.9356 1.9389 1.9349 1.9357 1.9369 1.9387 1.9614 1.9444 1.9423 1.9468 1.9419 1.9418 1.9435 1.9425 1.9728 1.8777 1.9449 1.9440 1.9417 1.9752 1.9591 1.9754 1.9736 1.9605 1.9635 1.9614 1.9640 1.9696 1.9641 1.9635 0.5196 6.0838 7.3775 6.0853 6.0776 6.1151 6.1028 6.0970 6.1051 6.0867 6.1010 6.1014 6.1208 5.1126 5.0500 5.1085 5.1142 4.9956 5.0298 4.9364 5.0097 4.7585 4.9685 4.9559 4.9672 4.9689 4.9596 4.9536 4.8361 4.9882 4.9882 4.9696 5.0043 4.9687 4.9679 4.9684 4.7037 4.8861 4.9646 4.9620 4.9669 4.7171 4.8427 4.7128 4.7308 4.8316 4.8096 4.8242 4.7954 4.7498 4.8026 4.8083 0.1567 3.6457 0.8238 3.6441 3.6378 3.3563 3.3396 3.3438 3.3033 3.6707 3.3316 3.3330 3.3818 0.0391 0.0393 0.0387 0.0391 0.0293 0.0298 0.0295 0.0296 0.0358 0.0270 0.0255 0.0281 0.0279 0.0283 0.0277 0.0330 0.0301 0.0303 0.0308 0.0317 0.0297 0.0295 0.0299 0.0317 0.0302 0.0279 0.0298 0.0297 0.0330 0.0331 0.0330 0.0324 0.0336 0.0349 0.0341 0.0349 0.0310 0.0351 0.0350 0.0000 0.0000 0.0000 0.0000 0.0000 14.0288 14.0292 14.0295 14.0295 0.0000 14.0295 14.0294 14.0283 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo P Mo Mo W W W W Mo 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 H 3.180396 2.004699 3.181270 3.178773 2.484132 2.501546 2.497398 2.534655 3.157592 2.510502 2.507275 2.469105 -1.062290 -1.018476 -1.063416 -1.066597 -0.961428 -0.978662 -1.007316 -0.968001 -0.823350 -1.088219 -1.194035 -1.070950 -1.078987 -1.082786 -1.092127 -0.793811 -0.956444 -1.058824 -0.949435 -0.959135 -1.065100 -1.072726 -1.051028 -0.983559 -0.620796 -1.083736 -1.075740 -1.062241 -0.996912 -0.879784 -0.991663 -1.010477 -0.869031 -0.844386 -0.859289 -0.828163 -1.022332 -0.836957 -0.843169 0.064034 2.364104 1.579754 2.373124 2.363409 1.924246 1.945408 1.940852 1.971157 2.356550 1.945060 1.942879 1.932916 -0.782357 -0.770506 -0.790886 -0.796258 -0.714424 -0.722931 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-42.8185 -452.9444 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 Apr29-2024 05:48:05 Nodes: 1 Procs: 1 0 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Apr29-2024 05:48:06 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr29-2024 05:48:07 Nodes: 1 Procs: 1 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr29-2024 05:48:08 Nodes: 1 Procs: 1 Apr29-2024 05:48:09 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr29-2024 05:48:09 Nodes: 1 Procs: 1 Apr29-2024 05:48:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr29-2024 05:48:12 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -15.96647916 -16.41261622 -16.18290275 -16.43187692 -16.56490159 -16.59811394 -16.61438347 -16.61761020 -16.62385319 -16.63057989 -16.63480619 -16.63802658 -16.63258278 -16.64088373 -16.64338067 -16.64423140 -16.64449790 -16.64486259 -16.64499851 -16.64514030 -16.64521467 -16.64529398 -16.64532645 -16.64537169 -16.64538721 -16.64540020 GEOMETRY CONVERGED