ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.01 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 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 Apr30-2024 12:06:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 0.67 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 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 Apr30-2024 12:06:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:44 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 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 Apr30-2024 12:06:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:44 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) 1.33 0.04 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 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 Apr30-2024 12:06:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Apr30-2024 12:06:45 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr30-2024 12:06:47 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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-0.091667 2.575502 -0.135365 2.537505 0.816186 -0.992880 0.834212 -1.018543 -0.894404 -0.946123 0.876734 0.831201 -0.934672 -0.901131 0.881220 0.899118 -3.005241 -1.153241 1.187416 2.972980 -1.195825 -1.152863 -3.007594 1.158066 -1.105920 3.009766 1.218464 1.221869 1.324641 -1.148691 -3.336112 1.131551 1.161146 3.026573 -1.166715 1.166429 -3.019331 -1.185254 -1.159782 3.067751 -1.151369 3.040625 -1.133648 -1.198642 -3.035644 1.247989 1.169178 3.051622 1.178027 1.160764 -3.283582 -1.111957 3.338776 -1.474542 1.518522 -3.423914 -1.568260 -1.526932 3.402373 1.521563 -1.436776 -3.409896 1.489729 1.542619 1.444336 -1.459407 3.420400 1.541155 1.552431 -3.364061 -1.512141 1.495155 3.432334 -1.758206 -1.441907 -3.730782 -1.524543 -3.606370 -1.288939 -1.506701 3.350754 1.531276 1.502141 -3.394225 1.586737 1.480066 3.408604 -1.448039 -0.210864 -3.732145 3.805915 3.861893 -0.159730 -3.692166 -0.198461 3.743021 -3.728973 0.228538 3.761480 3.761194 3.724162 -3.769034 -0.180048 3.771839 3.774065 0.189960 -3.756504 3.721706 -0.200762 -3.856449 -3.674252 0.249829 -3.842555 0.304325 -3.615086 -3.752782 -0.184949 3.784827 3.752557 0.171201 3.771646 -0.541709 -3.381751 -1.272445 1 3 -3 0.075529 -2.547800 2.562423 Rho 0.4361414E+07 3,-3 2 3 -3 2.393842 -2.643821 -0.014160 Rho 0.4361415E+07 3,-3 3 3 -3 2.588800 2.536435 -0.136098 Rho 0.4361415E+07 3,-3 4 3 -3 -2.550607 2.485819 0.066310 Rho 0.4361414E+07 3,-3 5 3 -3 -2.477512 -0.252486 -2.661475 Rho 0.4361414E+07 3,-3 6 3 -3 -2.529191 0.134836 2.588681 Rho 0.4361414E+07 3,-3 7 3 -3 2.474716 -0.040800 -2.625413 Rho 0.4361415E+07 3,-3 8 3 -3 -0.074056 -0.055259 -0.056660 Rho 0.2439542E+04 3,-3 9 3 -3 0.097772 2.518331 -2.542963 Rho 0.1240649E+06 3,-3 10 3 -3 -0.049488 2.566267 2.535240 Rho 0.1240650E+06 3,-3 11 3 -3 -2.597231 -2.537643 -0.091667 Rho 0.1240650E+06 3,-3 12 3 -3 2.575502 -0.135365 2.537505 Rho 0.1240650E+06 3,-3 13 3 -3 0.816186 -0.992880 0.834212 Rho 0.3187809E+03 3,-3 14 3 -3 -1.018543 -0.894404 -0.946123 Rho 0.3187867E+03 3,-3 15 3 -3 0.876734 0.831201 -0.934672 Rho 0.3187941E+03 3,-3 16 3 -3 -0.901131 0.881220 0.899118 Rho 0.3187806E+03 3,-3 17 3 -3 -3.005241 -1.153241 1.187416 Rho 0.3189466E+03 3,-3 18 3 -3 2.972980 -1.195825 -1.152863 Rho 0.3188150E+03 3,-3 19 3 -3 -3.007594 1.158066 -1.105920 Rho 0.3190016E+03 3,-3 20 3 -3 3.009766 1.218464 1.221869 Rho 0.3189187E+03 3,-3 21 3 -3 1.324641 -1.148691 -3.336112 Rho 0.3193431E+03 3,-3 22 3 -3 1.131551 1.161146 3.026573 Rho 0.3190218E+03 3,-3 23 3 -3 -1.166715 1.166429 -3.019331 Rho 0.3189143E+03 3,-3 24 3 -3 -1.185254 -1.159782 3.067751 Rho 0.3188708E+03 3,-3 25 3 -3 -1.151369 3.040625 -1.133648 Rho 0.3189308E+03 3,-3 26 3 -3 -1.198642 -3.035644 1.247989 Rho 0.3189325E+03 3,-3 27 3 -3 1.169178 3.051622 1.178027 Rho 0.3189728E+03 3,-3 28 3 -3 1.160764 -3.283582 -1.111957 Rho 0.3192144E+03 3,-3 29 3 -3 3.338776 -1.474542 1.518522 Rho 0.3191144E+03 3,-3 30 3 -3 -3.423914 -1.568260 -1.526932 Rho 0.3189906E+03 3,-3 31 3 -3 3.402373 1.521563 -1.436776 Rho 0.3190364E+03 3,-3 32 3 -3 -3.409896 1.489729 1.542619 Rho 0.3189424E+03 3,-3 33 3 -3 1.444336 -1.459407 3.420400 Rho 0.3189937E+03 3,-3 34 3 -3 1.541155 1.552431 -3.364061 Rho 0.3190009E+03 3,-3 35 3 -3 -1.512141 1.495155 3.432334 Rho 0.3190028E+03 3,-3 36 3 -3 -1.758206 -1.441907 -3.730782 Rho 0.3192969E+03 3,-3 37 3 -3 -1.524543 -3.606370 -1.288939 Rho 0.3188046E+03 3,-3 38 3 -3 -1.506701 3.350754 1.531276 Rho 0.3190174E+03 3,-3 39 3 -3 1.502141 -3.394225 1.586737 Rho 0.3189291E+03 3,-3 40 3 -3 1.480066 3.408604 -1.448039 Rho 0.3189913E+03 3,-3 41 3 -3 -0.210864 -3.732145 3.805915 Rho 0.3193057E+03 3,-3 42 3 -3 3.861893 -0.159730 -3.692166 Rho 0.3192493E+03 3,-3 43 3 -3 -0.198461 3.743021 -3.728973 Rho 0.3194477E+03 3,-3 44 3 -3 0.228538 3.761480 3.761194 Rho 0.3194220E+03 3,-3 45 3 -3 3.724162 -3.769034 -0.180048 Rho 0.3192637E+03 3,-3 46 3 -3 3.771839 3.774065 0.189960 Rho 0.3192948E+03 3,-3 47 3 -3 -3.756504 3.721706 -0.200762 Rho 0.3192777E+03 3,-3 48 3 -3 -3.856449 -3.674252 0.249829 Rho 0.3194486E+03 3,-3 49 3 -3 -3.842555 0.304325 -3.615086 Rho 0.3192504E+03 3,-3 50 3 -3 -3.752782 -0.184949 3.784827 Rho 0.3193056E+03 3,-3 51 3 -3 3.752557 0.171201 3.771646 Rho 0.3194298E+03 3,-3 52 3 -3 -0.541709 -3.381751 -1.272445 Rho 0.4275059E+00 3,-3 53 3 -1 -3.202430 3.153406 -0.077541 Rho 0.2377148E+00 |GRAD(Rho)| 0.9213017E-14 GRAD(Rho)x 0.3420116E-15 GRAD(Rho)y -0.8119265E-14 GRAD(Rho)z -0.4340536E-14 Laplacian 0.8690473E+00 (-1/4)Del**2(Rho)) -0.2172618E+00 Diamond 0.3033554E+01 Metallicity 0.7233196E+01 Ellipticity 0.7580782E-02 Gb(Abramov) 0.4067575E+00 Vb(Abramov) -0.5962531E+00 Hb(Abramov) -0.1894956E+00 Ex_ueg -0.1087577E+00 Ec_ueg -0.1428129E-01 Delta_ex -0.1047106E+00 Delta_ec 0.1920591E-01 Delta_et -0.2657427E+00 Pxc 0.7615399E+01 Qxc -0.5452001E+01 3,-1 54 3 +1 -2.019154 2.005380 2.049214 Rho 0.1257977E-01 |GRAD(Rho)| 0.1536203E-16 GRAD(Rho)x 0.2977967E-17 GRAD(Rho)y 0.9504601E-17 GRAD(Rho)z -0.1169556E-16 Laplacian 0.5903476E-01 (-1/4)Del**2(Rho)) -0.1475869E-01 Diamond 0.2135905E-02 Metallicity 0.7942544E+00 Ellipticity -0.1190527E+01 Gb(Abramov) 0.1179282E-01 Vb(Abramov) -0.8826949E-02 Hb(Abramov) 0.2965871E-02 Ex_ueg -0.2160803E-02 Ec_ueg -0.4863988E-03 Delta_ex -0.2832991E-02 Delta_ec 0.5783808E-03 Delta_et -0.4527774E-02 Pxc 0.4442451E+01 Qxc -0.4898141E+01 3,+1 55 3 +1 -0.541628 1.663454 -0.566234 Rho 0.8477672E-02 |GRAD(Rho)| 0.1917565E-13 GRAD(Rho)x 0.1675922E-14 GRAD(Rho)y -0.6227576E-14 GRAD(Rho)z 0.1805863E-13 Laplacian 0.3478549E-01 (-1/4)Del**2(Rho)) -0.8696372E-02 Diamond 0.9532565E-03 Metallicity 0.6982476E+00 Ellipticity -0.1430149E+01 Gb(Abramov) 0.6809618E-02 Vb(Abramov) -0.4922864E-02 Hb(Abramov) 0.1886754E-02 Ex_ueg -0.1276695E-02 Ec_ueg -0.2995102E-03 Delta_ex -0.1601919E-02 Delta_ec 0.5225748E-03 Delta_et -0.3531639E-02 Pxc 0.4262610E+01 Qxc -0.3065435E+01 3,+1 56 3 +1 -1.047347 2.087566 1.324202 Rho 0.2456235E-01 |GRAD(Rho)| 0.7130647E-16 GRAD(Rho)x 0.5953859E-17 GRAD(Rho)y 0.7057821E-16 GRAD(Rho)z 0.8238951E-17 Laplacian 0.9815017E-01 (-1/4)Del**2(Rho)) -0.2453754E-01 Diamond 0.1324007E-01 Metallicity 0.1457153E+01 Ellipticity -0.4567993E+01 Gb(Abramov) 0.2231752E-01 Vb(Abramov) -0.2009750E-01 Hb(Abramov) 0.2220022E-02 Ex_ueg -0.5273248E-02 Ec_ueg -0.1066704E-02 Delta_ex -0.6154804E-02 Delta_ec 0.1806772E-02 Delta_et -0.1584537E-01 Pxc 0.4943496E+01 Qxc -0.3406520E+01 3,+1 57 3 +3 -0.141796 -2.393294 -0.158351 Rho 0.3856977E-02 |GRAD(Rho)| 0.2525720E-17 GRAD(Rho)x 0.5692061E-18 GRAD(Rho)y 0.1870249E-17 GRAD(Rho)z 0.1599198E-17 Laplacian 0.1596385E-01 (-1/4)Del**2(Rho)) -0.3990962E-02 Diamond 0.9689951E-04 Metallicity 0.4094687E+00 Ellipticity -0.2331106E+00 Gb(Abramov) 0.2933004E-02 Vb(Abramov) -0.1875045E-02 Hb(Abramov) 0.1057958E-02 Ex_ueg -0.4467328E-03 Ec_ueg -0.9806044E-04 Delta_ex -0.5380736E-03 Delta_ec 0.1141550E-03 Delta_et -0.7336614E-03 Pxc 0.4555688E+01 Qxc -0.4713535E+01 3,+3 58 3 +1 -0.682897 -1.717679 0.483724 Rho 0.8478869E-02 |GRAD(Rho)| 0.5306545E-15 GRAD(Rho)x 0.4505791E-15 GRAD(Rho)y 0.1513411E-15 GRAD(Rho)z 0.2359419E-15 Laplacian 0.3483752E-01 (-1/4)Del**2(Rho)) -0.8709380E-02 Diamond 0.9621748E-03 Metallicity 0.6973688E+00 Ellipticity -0.1438117E+01 Gb(Abramov) 0.6818528E-02 Vb(Abramov) -0.4927677E-02 Hb(Abramov) 0.1890852E-02 Ex_ueg -0.1276936E-02 Ec_ueg -0.2995637E-03 Delta_ex -0.1607728E-02 Delta_ec 0.5293485E-03 Delta_et -0.3572969E-02 Pxc 0.4262652E+01 Qxc -0.3037182E+01 3,+1 59 3 +1 -1.715519 -0.531864 0.547797 Rho 0.9265501E-02 |GRAD(Rho)| 0.1157334E-14 GRAD(Rho)x 0.4103852E-15 GRAD(Rho)y 0.9599810E-15 GRAD(Rho)z 0.4994416E-15 Laplacian 0.3890132E-01 (-1/4)Del**2(Rho)) -0.9725331E-02 Diamond 0.1242473E-02 Metallicity 0.7240418E+00 Ellipticity -0.1478865E+01 Gb(Abramov) 0.7657145E-02 Vb(Abramov) -0.5588959E-02 Hb(Abramov) 0.2068186E-02 Ex_ueg -0.1437287E-02 Ec_ueg -0.3348539E-03 Delta_ex -0.1847867E-02 Delta_ec 0.6129946E-03 Delta_et -0.4218656E-02 Pxc 0.4292282E+01 Qxc -0.3014491E+01 3,+1 60 3 +1 -1.778380 -1.758411 1.804175 Rho 0.1238041E-01 |GRAD(Rho)| 0.3915190E-16 GRAD(Rho)x 0.1494007E-17 GRAD(Rho)y 0.2002471E-16 GRAD(Rho)z 0.3361027E-16 Laplacian 0.6200909E-01 (-1/4)Del**2(Rho)) -0.1550227E-01 Diamond 0.2567908E-02 Metallicity 0.7362908E+00 Ellipticity -0.1255304E+01 Gb(Abramov) 0.1223721E-01 Vb(Abramov) -0.8972151E-02 Hb(Abramov) 0.3265061E-02 Ex_ueg -0.2115266E-02 Ec_ueg -0.4771583E-03 Delta_ex -0.3066181E-02 Delta_ec 0.7922636E-03 Delta_et -0.5995636E-02 Pxc 0.4433049E+01 Qxc -0.3870153E+01 3,+1 61 3 +3 -1.133461 -1.127682 1.138504 Rho 0.4995152E-02 |GRAD(Rho)| 0.5664944E-15 GRAD(Rho)x 0.2733510E-15 GRAD(Rho)y 0.3936716E-15 GRAD(Rho)z 0.3020228E-15 Laplacian 0.2062747E-01 (-1/4)Del**2(Rho)) -0.5156867E-02 Diamond 0.1558147E-03 Metallicity 0.4876202E+00 Ellipticity -0.2717246E+00 Gb(Abramov) 0.3857010E-02 Vb(Abramov) -0.2557153E-02 Hb(Abramov) 0.1299857E-02 Ex_ueg -0.6306426E-03 Ec_ueg -0.1467042E-03 Delta_ex -0.7235905E-03 Delta_ec 0.1107155E-03 Delta_et -0.8189751E-03 Pxc 0.4298737E+01 Qxc -0.6535583E+01 3,+3 62 3 +1 0.555029 0.445703 1.684018 Rho 0.7573056E-02 |GRAD(Rho)| 0.1666731E-13 GRAD(Rho)x -0.4425279E-14 GRAD(Rho)y 0.1494849E-13 GRAD(Rho)z 0.5895656E-14 Laplacian 0.3110068E-01 (-1/4)Del**2(Rho)) -0.7775170E-02 Diamond 0.7656074E-03 Metallicity 0.6470858E+00 Ellipticity -0.1435692E+01 Gb(Abramov) 0.6021981E-02 Vb(Abramov) -0.4268791E-02 Hb(Abramov) 0.1753190E-02 Ex_ueg -0.1098365E-02 Ec_ueg -0.2592687E-03 Delta_ex -0.1411092E-02 Delta_ec 0.5002017E-03 Delta_et -0.3255772E-02 Pxc 0.4236395E+01 Qxc -0.2821045E+01 3,+1 63 3 -1 -0.213286 -1.274054 -3.501568 Rho 0.5760737E-02 |GRAD(Rho)| 0.3796340E-16 GRAD(Rho)x -0.2746040E-16 GRAD(Rho)y -0.1717370E-16 GRAD(Rho)z -0.1980429E-16 Laplacian 0.2292947E-01 (-1/4)Del**2(Rho)) -0.5732367E-02 Diamond 0.9880014E-03 Metallicity 0.5563516E+00 Ellipticity 0.1287473E+00 Gb(Abramov) 0.4353113E-02 Vb(Abramov) -0.2973859E-02 Hb(Abramov) 0.1379254E-02 Ex_ueg -0.7627036E-03 Ec_ueg -0.1797959E-03 Delta_ex -0.1434173E-02 Delta_ec 0.1190202E-02 Delta_et -0.6558400E-02 Pxc 0.4242052E+01 Qxc -0.1204983E+01 3,-1 64 3 -1 -0.593730 -1.804531 2.816034 Rho 0.1393844E+00 |GRAD(Rho)| 0.1717724E-15 GRAD(Rho)x -0.4896528E-16 GRAD(Rho)y 0.5418300E-16 GRAD(Rho)z -0.1554746E-15 Laplacian 0.5841640E+00 (-1/4)Del**2(Rho)) -0.1460410E+00 Diamond 0.1089969E+01 Metallicity 0.4420135E+01 Ellipticity 0.7744406E-02 Gb(Abramov) 0.2049475E+00 Vb(Abramov) -0.2638540E+00 Hb(Abramov) -0.5890649E-01 Ex_ueg -0.5337495E-01 Ec_ueg -0.7767468E-02 Delta_ex -0.6168403E-01 Delta_ec 0.1521038E-01 Delta_et -0.2005784E+00 Pxc 0.6871602E+01 Qxc -0.4055391E+01 3,-1 65 3 +1 -0.260994 -0.979992 -2.610913 Rho 0.3314586E-02 |GRAD(Rho)| 0.3230143E-17 GRAD(Rho)x -0.3043681E-17 GRAD(Rho)y -0.7680471E-18 GRAD(Rho)z 0.7615356E-18 Laplacian 0.1320425E-01 (-1/4)Del**2(Rho)) -0.3301064E-02 Diamond 0.1305821E-03 Metallicity 0.3845457E+00 Ellipticity -0.1337337E+01 Gb(Abramov) 0.2412277E-02 Vb(Abramov) -0.1523491E-02 Hb(Abramov) 0.8887862E-03 Ex_ueg -0.3649982E-03 Ec_ueg -0.7511957E-04 Delta_ex -0.5328923E-03 Delta_ec 0.2817718E-03 Delta_et -0.1407392E-02 Pxc 0.4858896E+01 Qxc -0.1891219E+01 3,+1 66 3 +1 -1.709918 0.537668 -0.514450 Rho 0.9943753E-02 |GRAD(Rho)| 0.2710513E-14 GRAD(Rho)x 0.2047415E-14 GRAD(Rho)y -0.1273802E-14 GRAD(Rho)z 0.1237901E-14 Laplacian 0.4207412E-01 (-1/4)Del**2(Rho)) -0.1051853E-01 Diamond 0.1446868E-02 Metallicity 0.7530932E+00 Ellipticity -0.1473992E+01 Gb(Abramov) 0.8332592E-02 Vb(Abramov) -0.6146654E-02 Hb(Abramov) 0.2185938E-02 Ex_ueg -0.1579255E-02 Ec_ueg -0.3654975E-03 Delta_ex -0.2022121E-02 Delta_ec 0.6412839E-03 Delta_et -0.4510993E-02 Pxc 0.4320836E+01 Qxc -0.3153238E+01 3,+1 67 3 +1 -0.571356 -0.570662 1.689590 Rho 0.8260814E-02 |GRAD(Rho)| 0.1639118E-13 GRAD(Rho)x -0.4354399E-14 GRAD(Rho)y 0.1396965E-13 GRAD(Rho)z -0.7386387E-14 Laplacian 0.3437034E-01 (-1/4)Del**2(Rho)) -0.8592585E-02 Diamond 0.9040245E-03 Metallicity 0.6768109E+00 Ellipticity -0.1400205E+01 Gb(Abramov) 0.6697649E-02 Vb(Abramov) -0.4802714E-02 Hb(Abramov) 0.1894936E-02 Ex_ueg -0.1233338E-02 Ec_ueg -0.2898296E-03 Delta_ex -0.1570119E-02 Delta_ec 0.5119125E-03 Delta_et -0.3439596E-02 Pxc 0.4255390E+01 Qxc -0.3067162E+01 3,+1 68 3 +1 -0.574419 0.525119 -1.706762 Rho 0.9065233E-02 |GRAD(Rho)| 0.1362267E-14 GRAD(Rho)x -0.1140715E-14 GRAD(Rho)y -0.4171560E-15 GRAD(Rho)z -0.6168640E-15 Laplacian 0.3851301E-01 (-1/4)Del**2(Rho)) -0.9628252E-02 Diamond 0.1190576E-02 Metallicity 0.7051866E+00 Ellipticity -0.1452257E+01 Gb(Abramov) 0.7550453E-02 Vb(Abramov) -0.5472655E-02 Hb(Abramov) 0.2077798E-02 Ex_ueg -0.1396016E-02 Ec_ueg -0.3258437E-03 Delta_ex -0.1818034E-02 Delta_ec 0.6043054E-03 Delta_et -0.4136818E-02 Pxc 0.4284312E+01 Qxc -0.3008469E+01 3,+1 69 3 -1 0.284131 -0.436009 0.303099 Rho 0.1971835E+00 |GRAD(Rho)| 0.4651672E-15 GRAD(Rho)x -0.1368133E-15 GRAD(Rho)y 0.3961352E-15 GRAD(Rho)z -0.2018404E-15 Laplacian 0.6615041E+00 (-1/4)Del**2(Rho)) -0.1653760E+00 Diamond 0.2071600E+01 Metallicity 0.6958753E+01 Ellipticity 0.7791491E-02 Gb(Abramov) 0.3020525E+00 Vb(Abramov) -0.4387290E+00 Hb(Abramov) -0.1366765E+00 Ex_ueg -0.8476419E-01 Ec_ueg -0.1152975E-01 Delta_ex -0.7752210E-01 Delta_ec 0.1822454E-01 Delta_et -0.2590118E+00 Pxc 0.7351777E+01 Qxc -0.4253720E+01 3,-1 70 3 +3 2.342177 -0.017593 0.065303 Rho 0.3843079E-02 |GRAD(Rho)| 0.7358745E-17 GRAD(Rho)x -0.1662104E-17 GRAD(Rho)y -0.7149217E-17 GRAD(Rho)z -0.5265358E-18 Laplacian 0.1602341E-01 (-1/4)Del**2(Rho)) -0.4005852E-02 Diamond 0.1227855E-03 Metallicity 0.4054996E+00 Ellipticity -0.2243983E+00 Gb(Abramov) 0.2941297E-02 Vb(Abramov) -0.1876741E-02 Hb(Abramov) 0.1064556E-02 Ex_ueg -0.4445877E-03 Ec_ueg -0.9747064E-04 Delta_ex -0.5738643E-03 Delta_ec 0.1758030E-03 Delta_et -0.1017690E-02 Pxc 0.4561248E+01 Qxc -0.3264247E+01 3,+3 71 3 -1 -0.408097 0.322791 0.329794 Rho 0.1959178E+00 |GRAD(Rho)| 0.2722773E-11 GRAD(Rho)x 0.1440462E-11 GRAD(Rho)y -0.1570894E-11 GRAD(Rho)z -0.1694361E-11 Laplacian 0.6523251E+00 (-1/4)Del**2(Rho)) -0.1630813E+00 Diamond 0.2018865E+01 Metallicity 0.6981339E+01 Ellipticity 0.2652587E-02 Gb(Abramov) 0.2984751E+00 Vb(Abramov) -0.4338690E+00 Hb(Abramov) -0.1353938E+00 Ex_ueg -0.8403950E-01 Ec_ueg -0.1144530E-01 Delta_ex -0.7626726E-01 Delta_ec 0.1789810E-01 Delta_et -0.2538597E+00 Pxc 0.7342710E+01 Qxc -0.4261192E+01 3,-1 72 3 +3 0.027530 -0.053057 2.310184 Rho 0.4251284E-02 |GRAD(Rho)| 0.6816844E-17 GRAD(Rho)x -0.3414419E-17 GRAD(Rho)y -0.5265442E-17 GRAD(Rho)z -0.2661996E-17 Laplacian 0.1759066E-01 (-1/4)Del**2(Rho)) -0.4397664E-02 Diamond 0.1349692E-03 Metallicity 0.4370502E+00 Ellipticity -0.3169946E+00 Gb(Abramov) 0.3252109E-02 Vb(Abramov) -0.2106555E-02 Hb(Abramov) 0.1145555E-02 Ex_ueg -0.5086416E-03 Ec_ueg -0.1148361E-03 Delta_ex -0.6232826E-03 Delta_ec 0.1527550E-03 Delta_et -0.9546468E-03 Pxc 0.4429281E+01 Qxc -0.4080275E+01 3,+3 73 3 +3 -0.161976 -0.439183 -2.603881 Rho 0.3084667E-02 |GRAD(Rho)| 0.9859092E-15 GRAD(Rho)x -0.9655653E-15 GRAD(Rho)y 0.4102551E-16 GRAD(Rho)z -0.1949804E-15 Laplacian 0.1230283E-01 (-1/4)Del**2(Rho)) -0.3075708E-02 Diamond 0.9040954E-04 Metallicity 0.3661186E+00 Ellipticity -0.7941178E+00 Gb(Abramov) 0.2238151E-02 Vb(Abramov) -0.1400594E-02 Hb(Abramov) 0.8375571E-03 Ex_ueg -0.3316368E-03 Ec_ueg -0.6544293E-04 Delta_ex -0.4537804E-03 Delta_ec 0.1992249E-03 Delta_et -0.1013296E-02 Pxc 0.5067573E+01 Qxc -0.2277729E+01 3,+3 74 3 +3 -2.383321 -0.007176 0.034278 Rho 0.4855663E-02 |GRAD(Rho)| 0.3298098E-15 GRAD(Rho)x -0.1438017E-15 GRAD(Rho)y 0.2059925E-15 GRAD(Rho)z 0.2136882E-15 Laplacian 0.2037225E-01 (-1/4)Del**2(Rho)) -0.5093062E-02 Diamond 0.2115024E-03 Metallicity 0.4709648E+00 Ellipticity -0.4348001E+00 Gb(Abramov) 0.3795150E-02 Vb(Abramov) -0.2497239E-02 Hb(Abramov) 0.1297912E-02 Ex_ueg -0.6072719E-03 Ec_ueg -0.1407067E-03 Delta_ex -0.7704040E-03 Delta_ec 0.2187412E-03 Delta_et -0.1348999E-02 Pxc 0.4315870E+01 Qxc -0.3521988E+01 3,+3 75 3 -1 0.023181 -3.355713 -1.211237 Rho 0.4210095E-01 |GRAD(Rho)| 0.4053942E-16 GRAD(Rho)x -0.3276916E-16 GRAD(Rho)y -0.2314039E-16 GRAD(Rho)z -0.5843692E-17 Laplacian 0.1198093E+00 (-1/4)Del**2(Rho)) -0.2995233E-01 Diamond 0.7802922E-01 Metallicity 0.2930504E+01 Ellipticity 0.8303515E-02 Gb(Abramov) 0.3459746E-01 Vb(Abramov) -0.3924259E-01 Hb(Abramov) -0.4645129E-02 Ex_ueg -0.1081702E-01 Ec_ueg -0.1983137E-02 Delta_ex -0.1107026E-01 Delta_ec 0.6473327E-02 Delta_et -0.6566007E-01 Pxc 0.5454500E+01 Qxc -0.1710135E+01 3,-1 76 3 +1 0.029948 -3.079163 0.120359 Rho 0.5038227E-02 |GRAD(Rho)| 0.8076149E-17 GRAD(Rho)x -0.2032879E-17 GRAD(Rho)y 0.1755052E-17 GRAD(Rho)z 0.7616520E-17 Laplacian 0.2041892E-01 (-1/4)Del**2(Rho)) -0.5104729E-02 Diamond 0.4732345E-03 Metallicity 0.4997008E+00 Ellipticity -0.2689727E+01 Gb(Abramov) 0.3828292E-02 Vb(Abramov) -0.2551855E-02 Hb(Abramov) 0.1276437E-02 Ex_ueg -0.6379040E-03 Ec_ueg -0.1485582E-03 Delta_ex -0.1009499E-02 Delta_ec 0.6301155E-03 Delta_et -0.3435087E-02 Pxc 0.4293966E+01 Qxc -0.1602085E+01 3,+1 77 3 +1 1.999517 -2.012224 2.050658 Rho 0.1230739E-01 |GRAD(Rho)| 0.7420742E-17 GRAD(Rho)x 0.3325480E-17 GRAD(Rho)y -0.5956634E-17 GRAD(Rho)z 0.2920123E-17 Laplacian 0.5795962E-01 (-1/4)Del**2(Rho)) -0.1448991E-01 Diamond 0.2092755E-02 Metallicity 0.7800056E+00 Ellipticity -0.1205659E+01 Gb(Abramov) 0.1154364E-01 Vb(Abramov) -0.8597371E-02 Hb(Abramov) 0.2946267E-02 Ex_ueg -0.2098649E-02 Ec_ueg -0.4737779E-03 Delta_ex -0.2780978E-02 Delta_ec 0.5968358E-03 Delta_et -0.4620860E-02 Pxc 0.4429605E+01 Qxc -0.4659536E+01 3,+1 78 3 +1 1.323008 -1.023898 2.068481 Rho 0.2140337E-01 |GRAD(Rho)| 0.1768697E-14 GRAD(Rho)x -0.1015004E-14 GRAD(Rho)y -0.1443831E-14 GRAD(Rho)z 0.1157975E-15 Laplacian 0.8121131E-01 (-1/4)Del**2(Rho)) -0.2030283E-01 Diamond 0.8138885E-02 Metallicity 0.1400018E+01 Ellipticity -0.2706157E+01 Gb(Abramov) 0.1827261E-01 Vb(Abramov) -0.1624239E-01 Hb(Abramov) 0.2030221E-02 Ex_ueg -0.4388958E-02 Ec_ueg -0.9093927E-03 Delta_ex -0.4788021E-02 Delta_ec 0.1273351E-02 Delta_et -0.1085114E-01 Pxc 0.4826251E+01 Qxc -0.3760174E+01 3,+1 79 3 -1 1.643514 0.385262 -1.747106 Rho 0.3819946E-01 |GRAD(Rho)| 0.2972926E-16 GRAD(Rho)x -0.2171242E-16 GRAD(Rho)y 0.1549287E-16 GRAD(Rho)z 0.1312901E-16 Laplacian 0.1454626E+00 (-1/4)Del**2(Rho)) -0.3636566E-01 Diamond 0.5100729E-01 Metallicity 0.2052534E+01 Ellipticity 0.2677548E-01 Gb(Abramov) 0.3668407E-01 Vb(Abramov) -0.3700247E-01 Hb(Abramov) -0.3184079E-03 Ex_ueg -0.9501555E-02 Ec_ueg -0.1773803E-02 Delta_ex -0.1118808E-01 Delta_ec 0.4327869E-02 Delta_et -0.4247803E-01 Pxc 0.5356601E+01 Qxc -0.2585125E+01 3,-1 80 3 +1 1.671039 0.485971 0.572571 Rho 0.6949508E-02 |GRAD(Rho)| 0.1613280E-16 GRAD(Rho)x -0.1050105E-16 GRAD(Rho)y 0.3581150E-17 GRAD(Rho)z -0.1171198E-16 Laplacian 0.2805702E-01 (-1/4)Del**2(Rho)) -0.7014254E-02 Diamond 0.6244445E-03 Metallicity 0.6215773E+00 Ellipticity -0.1438054E+01 Gb(Abramov) 0.5402819E-02 Vb(Abramov) -0.3791385E-02 Hb(Abramov) 0.1611435E-02 Ex_ueg -0.9794685E-03 Ec_ueg -0.2317493E-03 Delta_ex -0.1252568E-02 Delta_ec 0.4617238E-03 Delta_et -0.2929026E-02 Pxc 0.4226415E+01 Qxc -0.2712808E+01 3,+1 81 3 +1 0.060730 -0.082884 2.980039 Rho 0.5223598E-02 |GRAD(Rho)| 0.3641941E-15 GRAD(Rho)x 0.2456581E-15 GRAD(Rho)y -0.2666974E-15 GRAD(Rho)z 0.3408805E-16 Laplacian 0.2141691E-01 (-1/4)Del**2(Rho)) -0.5354229E-02 Diamond 0.5644995E-03 Metallicity 0.5059867E+00 Ellipticity -0.5277658E+01 Gb(Abramov) 0.4021014E-02 Vb(Abramov) -0.2687799E-02 Hb(Abramov) 0.1333215E-02 Ex_ueg -0.6693881E-03 Ec_ueg -0.1565478E-03 Delta_ex -0.1104364E-02 Delta_ec 0.7288237E-03 Delta_et -0.3988555E-02 Pxc 0.4275935E+01 Qxc -0.1515269E+01 3,+1 82 3 +1 0.254833 -1.947124 -0.766178 Rho 0.5734526E-02 |GRAD(Rho)| 0.1135010E-15 GRAD(Rho)x 0.3444883E-16 GRAD(Rho)y 0.5156737E-16 GRAD(Rho)z 0.9506081E-16 Laplacian 0.2326769E-01 (-1/4)Del**2(Rho)) -0.5816924E-02 Diamond 0.6031673E-03 Metallicity 0.5441129E+00 Ellipticity -0.2400940E+01 Gb(Abramov) 0.4405460E-02 Vb(Abramov) -0.2993996E-02 Hb(Abramov) 0.1411464E-02 Ex_ueg -0.7580801E-03 Ec_ueg -0.1786581E-03 Delta_ex -0.1150061E-02 Delta_ec 0.6646374E-03 Delta_et -0.3788027E-02 Pxc 0.4243188E+01 Qxc -0.1730358E+01 3,+1 83 3 +1 -0.224914 -0.390764 -3.169872 Rho 0.3451805E-02 |GRAD(Rho)| 0.3227311E-17 GRAD(Rho)x 0.1494681E-17 GRAD(Rho)y -0.2718294E-17 GRAD(Rho)z 0.8901357E-18 Laplacian 0.1367000E-01 (-1/4)Del**2(Rho)) -0.3417500E-02 Diamond 0.1672497E-03 Metallicity 0.3974248E+00 Ellipticity -0.1585993E+01 Gb(Abramov) 0.2504700E-02 Vb(Abramov) -0.1591900E-02 Hb(Abramov) 0.9128001E-03 Ex_ueg -0.3852831E-03 Ec_ueg -0.8090841E-04 Delta_ex -0.5936021E-03 Delta_ec 0.3582436E-03 Delta_et -0.1769849E-02 Pxc 0.4761966E+01 Qxc -0.1656979E+01 3,+1 84 3 +1 2.036175 2.027187 -1.999581 Rho 0.1218457E-01 |GRAD(Rho)| 0.1278932E-15 GRAD(Rho)x -0.7583547E-16 GRAD(Rho)y -0.6328560E-16 GRAD(Rho)z 0.8124391E-16 Laplacian 0.5677438E-01 (-1/4)Del**2(Rho)) -0.1419359E-01 Diamond 0.2037000E-02 Metallicity 0.7830890E+00 Ellipticity -0.1218105E+01 Gb(Abramov) 0.1131487E-01 Vb(Abramov) -0.8436147E-02 Hb(Abramov) 0.2878723E-02 Ex_ueg -0.2070771E-02 Ec_ueg -0.4680961E-03 Delta_ex -0.2720969E-02 Delta_ec 0.5922999E-03 Delta_et -0.4568095E-02 Pxc 0.4423815E+01 Qxc -0.4593905E+01 3,+1 85 3 +1 1.235291 1.100948 -2.135932 Rho 0.2480231E-01 |GRAD(Rho)| 0.1541525E-15 GRAD(Rho)x 0.8069815E-16 GRAD(Rho)y -0.3152528E-16 GRAD(Rho)z -0.1275027E-15 Laplacian 0.9993094E-01 (-1/4)Del**2(Rho)) -0.2498274E-01 Diamond 0.1456356E-01 Metallicity 0.1454566E+01 Ellipticity -0.9249844E+01 Gb(Abramov) 0.2271166E-01 Vb(Abramov) -0.2044059E-01 Hb(Abramov) 0.2271071E-02 Ex_ueg -0.5342050E-02 Ec_ueg -0.1078766E-02 Delta_ex -0.6381544E-02 Delta_ec 0.2016310E-02 Delta_et -0.1768766E-01 Pxc 0.4952001E+01 Qxc -0.3164963E+01 3,+1 86 3 +3 1.098050 1.064287 1.075899 Rho 0.4261310E-02 |GRAD(Rho)| 0.5357534E-17 GRAD(Rho)x -0.1228257E-17 GRAD(Rho)y -0.2858692E-17 GRAD(Rho)z -0.4361471E-17 Laplacian 0.1728665E-01 (-1/4)Del**2(Rho)) -0.4321662E-02 Diamond 0.1118212E-03 Metallicity 0.4464857E+00 Ellipticity -0.2329858E+00 Gb(Abramov) 0.3202702E-02 Vb(Abramov) -0.2083741E-02 Hb(Abramov) 0.1118961E-02 Ex_ueg -0.5102416E-03 Ec_ueg -0.1152638E-03 Delta_ex -0.5884721E-03 Delta_ec 0.1065364E-03 Delta_et -0.7309898E-03 Pxc 0.4426730E+01 Qxc -0.5523672E+01 3,+3 87 3 -1 1.809408 0.546179 2.776040 Rho 0.1138798E+00 |GRAD(Rho)| 0.1062410E-13 GRAD(Rho)x 0.8135914E-14 GRAD(Rho)y -0.6717425E-14 GRAD(Rho)z -0.1246834E-14 Laplacian 0.4697947E+00 (-1/4)Del**2(Rho)) -0.1174487E+00 Diamond 0.6770228E+00 Metallicity 0.3924487E+01 Ellipticity 0.1132251E-01 Gb(Abramov) 0.1551201E+00 Vb(Abramov) -0.1927915E+00 Hb(Abramov) -0.3767140E-01 Ex_ueg -0.4076749E-01 Ec_ueg -0.6173252E-02 Delta_ex -0.4711088E-01 Delta_ec 0.1256001E-01 Delta_et -0.1596795E+00 Pxc 0.6603891E+01 Qxc -0.3750862E+01 3,-1 88 3 -1 1.913701 -3.022334 0.837325 Rho 0.1300549E+00 |GRAD(Rho)| 0.8521545E-16 GRAD(Rho)x -0.2303252E-16 GRAD(Rho)y 0.4198573E-16 GRAD(Rho)z -0.7048669E-16 Laplacian 0.5069245E+00 (-1/4)Del**2(Rho)) -0.1267311E+00 Diamond 0.8773045E+00 Metallicity 0.4538172E+01 Ellipticity 0.2108241E-01 Gb(Abramov) 0.1803420E+00 Vb(Abramov) -0.2339529E+00 Hb(Abramov) -0.5361089E-01 Ex_ueg -0.4866543E-01 Ec_ueg -0.7179243E-02 Delta_ex -0.5272290E-01 Delta_ec 0.1357118E-01 Delta_et -0.1772855E+00 Pxc 0.6778629E+01 Qxc -0.3884918E+01 3,-1 89 3 +1 1.514844 -2.025107 -2.024666 Rho 0.6597972E-02 |GRAD(Rho)| 0.1545948E-14 GRAD(Rho)x -0.6230203E-15 GRAD(Rho)y -0.1338688E-14 GRAD(Rho)z 0.4579482E-15 Laplacian 0.2893455E-01 (-1/4)Del**2(Rho)) -0.7233636E-02 Diamond 0.9376528E-03 Metallicity 0.5527735E+00 Ellipticity -0.2406430E+01 Gb(Abramov) 0.5488851E-02 Vb(Abramov) -0.3744066E-02 Hb(Abramov) 0.1744785E-02 Ex_ueg -0.9139708E-03 Ec_ueg -0.2163152E-03 Delta_ex -0.1492231E-02 Delta_ec 0.8626770E-03 Delta_et -0.5109531E-02 Pxc 0.4225181E+01 Qxc -0.1729768E+01 3,+1 90 3 +1 2.919773 -0.004731 0.047152 Rho 0.4387531E-02 |GRAD(Rho)| 0.2334001E-12 GRAD(Rho)x -0.5584423E-13 GRAD(Rho)y 0.2186654E-12 GRAD(Rho)z 0.5951855E-13 Laplacian 0.1784882E-01 (-1/4)Del**2(Rho)) -0.4462206E-02 Diamond 0.3806521E-03 Metallicity 0.4539804E+00 Ellipticity -0.4542091E+01 Gb(Abramov) 0.3312430E-02 Vb(Abramov) -0.2162653E-02 Hb(Abramov) 0.1149776E-02 Ex_ueg -0.5304917E-03 Ec_ueg -0.1206517E-03 Delta_ex -0.9003065E-03 Delta_ec 0.6240989E-03 Delta_et -0.3233380E-02 Pxc 0.4396885E+01 Qxc -0.1442570E+01 3,+1 91 3 -1 1.339925 -2.141356 -2.149135 Rho 0.6691763E-02 |GRAD(Rho)| 0.7378249E-17 GRAD(Rho)x 0.7699529E-18 GRAD(Rho)y 0.6840638E-17 GRAD(Rho)z -0.2655448E-17 Laplacian 0.2750161E-01 (-1/4)Del**2(Rho)) -0.6875401E-02 Diamond 0.1210939E-02 Metallicity 0.5954190E+00 Ellipticity 0.1040933E+01 Gb(Abramov) 0.5265892E-02 Vb(Abramov) -0.3656382E-02 Hb(Abramov) 0.1609510E-02 Ex_ueg -0.9313347E-03 Ec_ueg -0.2204273E-03 Delta_ex -0.1612954E-02 Delta_ec 0.1160104E-02 Delta_et -0.6761082E-02 Pxc 0.4225133E+01 Qxc -0.1390353E+01 3,-1 92 3 -1 2.686035 -1.870073 -0.622289 Rho 0.1432512E+00 |GRAD(Rho)| 0.1077017E-15 GRAD(Rho)x 0.2924635E-16 GRAD(Rho)y -0.6125742E-17 GRAD(Rho)z 0.1034735E-15 Laplacian 0.5911877E+00 (-1/4)Del**2(Rho)) -0.1477969E+00 Diamond 0.1139982E+01 Metallicity 0.4571422E+01 Ellipticity 0.6473633E-02 Gb(Abramov) 0.2111383E+00 Vb(Abramov) -0.2744797E+00 Hb(Abramov) -0.6334138E-01 Ex_ueg -0.5535828E-01 Ec_ueg -0.8012900E-02 Delta_ex -0.6284342E-01 Delta_ec 0.1529197E-01 Delta_et -0.2024909E+00 Pxc 0.6908644E+01 Qxc -0.4109569E+01 3,-1 93 3 -1 2.874796 -2.018919 0.791088 Rho 0.8593612E-01 |GRAD(Rho)| 0.1546110E-15 GRAD(Rho)x -0.8291944E-16 GRAD(Rho)y -0.1303889E-15 GRAD(Rho)z -0.5261769E-17 Laplacian 0.3438390E+00 (-1/4)Del**2(Rho)) -0.8595974E-01 Diamond 0.3547878E+00 Metallicity 0.3353907E+01 Ellipticity 0.3594103E-02 Gb(Abramov) 0.1053567E+00 Vb(Abramov) -0.1247536E+00 Hb(Abramov) -0.1939691E-01 Ex_ueg -0.2800825E-01 Ec_ueg -0.4481306E-02 Delta_ex -0.3233051E-01 Delta_ec 0.9857823E-02 Delta_et -0.1186174E+00 Pxc 0.6250021E+01 Qxc -0.3279681E+01 3,-1 94 3 +3 1.790600 -1.809820 1.825597 Rho 0.1171050E-01 |GRAD(Rho)| 0.1845904E-16 GRAD(Rho)x -0.1496940E-16 GRAD(Rho)y -0.9594335E-17 GRAD(Rho)z -0.4960054E-17 Laplacian 0.5323430E-01 (-1/4)Del**2(Rho)) -0.1330858E-01 Diamond 0.1068343E-02 Metallicity 0.7817135E+00 Ellipticity -0.5010930E+00 Gb(Abramov) 0.1060630E-01 Vb(Abramov) -0.7904023E-02 Hb(Abramov) 0.2702276E-02 Ex_ueg -0.1964050E-02 Ec_ueg -0.4462214E-03 Delta_ex -0.2303010E-02 Delta_ec 0.1608822E-03 Delta_et -0.1611746E-02 Pxc 0.4401514E+01 Qxc -0.1431489E+02 3,+3 95 3 -1 2.962927 -0.847506 1.986341 Rho 0.1709015E+00 |GRAD(Rho)| 0.1721596E-13 GRAD(Rho)x -0.4568286E-14 GRAD(Rho)y 0.1248632E-13 GRAD(Rho)z 0.1093671E-13 Laplacian 0.6669923E+00 (-1/4)Del**2(Rho)) -0.1667481E+00 Diamond 0.1560102E+01 Metallicity 0.5437536E+01 Ellipticity 0.6364980E-01 Gb(Abramov) 0.2622818E+00 Vb(Abramov) -0.3578156E+00 Hb(Abramov) -0.9553376E-01 Ex_ueg -0.7004540E-01 Ec_ueg -0.9794677E-02 Delta_ex -0.7380900E-01 Delta_ec 0.1606175E-01 Delta_et -0.2165343E+00 Pxc 0.7151374E+01 Qxc -0.4595328E+01 3,-1 96 3 +1 2.045050 -1.138743 1.235824 Rho 0.2257494E-01 |GRAD(Rho)| 0.1842456E-13 GRAD(Rho)x 0.1447042E-13 GRAD(Rho)y 0.2089177E-14 GRAD(Rho)z 0.1121189E-13 Laplacian 0.9048779E-01 (-1/4)Del**2(Rho)) -0.2262195E-01 Diamond 0.1211282E-01 Metallicity 0.1373201E+01 Ellipticity -0.1798591E+02 Gb(Abramov) 0.2025871E-01 Vb(Abramov) -0.1789548E-01 Hb(Abramov) 0.2363234E-02 Ex_ueg -0.4712166E-02 Ec_ueg -0.9674087E-03 Delta_ex -0.5704550E-02 Delta_ec 0.1941690E-02 Delta_et -0.1659203E-01 Pxc 0.4870915E+01 Qxc -0.2937931E+01 3,+1 97 3 -1 3.224238 -0.104864 -3.202218 Rho 0.2336443E+00 |GRAD(Rho)| 0.2006217E-14 GRAD(Rho)x 0.1638555E-14 GRAD(Rho)y -0.1117894E-14 GRAD(Rho)z -0.3005951E-15 Laplacian 0.8518754E+00 (-1/4)Del**2(Rho)) -0.2129689E+00 Diamond 0.2922728E+01 Metallicity 0.7169611E+01 Ellipticity 0.1771170E-01 Gb(Abramov) 0.3964632E+00 Vb(Abramov) -0.5799576E+00 Hb(Abramov) -0.1834944E+00 Ex_ueg -0.1062817E+00 Ec_ueg -0.1400087E-01 Delta_ex -0.1022372E+00 Delta_ec 0.1902370E-01 Delta_et -0.2634830E+00 Pxc 0.7591081E+01 Qxc -0.5374200E+01 3,-1 98 3 -1 3.204609 0.028022 3.197349 Rho 0.2303501E+00 |GRAD(Rho)| 0.9912895E-15 GRAD(Rho)x -0.8327215E-15 GRAD(Rho)y -0.1238565E-15 GRAD(Rho)z -0.5233444E-15 Laplacian 0.8129059E+00 (-1/4)Del**2(Rho)) -0.2032265E+00 Diamond 0.2761331E+01 Metallicity 0.7337592E+01 Ellipticity 0.4716174E-02 Gb(Abramov) 0.3840165E+00 Vb(Abramov) -0.5648065E+00 Hb(Abramov) -0.1807900E+00 Ex_ueg -0.1042885E+00 Ec_ueg -0.1377459E-01 Delta_ex -0.9731063E-01 Delta_ec 0.1842498E-01 Delta_et -0.2558502E+00 Pxc 0.7571073E+01 Qxc -0.5281450E+01 3,-1 99 3 -1 1.670727 -0.565421 1.658674 Rho 0.2843092E-01 |GRAD(Rho)| 0.2465115E-16 GRAD(Rho)x -0.2088947E-16 GRAD(Rho)y -0.1082603E-16 GRAD(Rho)z 0.7355687E-17 Laplacian 0.1137503E+00 (-1/4)Del**2(Rho)) -0.2843758E-01 Diamond 0.2663461E-01 Metallicity 0.1604398E+01 Ellipticity 0.6802124E-01 Gb(Abramov) 0.2656258E-01 Vb(Abramov) -0.2468759E-01 Hb(Abramov) 0.1874995E-02 Ex_ueg -0.6408744E-02 Ec_ueg -0.1262960E-02 Delta_ex -0.8134852E-02 Delta_ec 0.3379896E-02 Delta_et -0.3058301E-01 Pxc 0.5074385E+01 Qxc -0.2406835E+01 3,-1 100 3 +1 1.624105 -0.598834 -0.563543 Rho 0.8929833E-02 |GRAD(Rho)| 0.1445936E-13 GRAD(Rho)x 0.3936741E-14 GRAD(Rho)y -0.1239569E-13 GRAD(Rho)z -0.6318381E-14 Laplacian 0.3809908E-01 (-1/4)Del**2(Rho)) -0.9524771E-02 Diamond 0.1125182E-02 Metallicity 0.6951911E+00 Ellipticity -0.1414048E+01 Gb(Abramov) 0.7453436E-02 Vb(Abramov) -0.5382102E-02 Hb(Abramov) 0.2071334E-02 Ex_ueg -0.1368284E-02 Ec_ueg -0.3197618E-03 Delta_ex -0.1779457E-02 Delta_ec 0.5758445E-03 Delta_et -0.3942203E-02 Pxc 0.4279072E+01 Qxc -0.3090169E+01 3,+1 101 3 +3 0.046773 2.300321 -0.008479 Rho 0.4222409E-02 |GRAD(Rho)| 0.3956901E-17 GRAD(Rho)x -0.4944156E-18 GRAD(Rho)y 0.3083095E-17 GRAD(Rho)z -0.2430462E-17 Laplacian 0.1748555E-01 (-1/4)Del**2(Rho)) -0.4371388E-02 Diamond 0.1333477E-03 Metallicity 0.4347113E+00 Ellipticity -0.3326238E+00 Gb(Abramov) 0.3230974E-02 Vb(Abramov) -0.2090560E-02 Hb(Abramov) 0.1140414E-02 Ex_ueg -0.5040405E-03 Ec_ueg -0.1136049E-03 Delta_ex -0.6189671E-03 Delta_ec 0.1527141E-03 Delta_et -0.9515507E-03 Pxc 0.4436785E+01 Qxc -0.4053112E+01 3,+3 102 3 +1 -2.891852 -0.242824 -0.218648 Rho 0.5234021E-02 |GRAD(Rho)| 0.3784407E-17 GRAD(Rho)x -0.8241564E-18 GRAD(Rho)y -0.3682290E-17 GRAD(Rho)z 0.2885090E-18 Laplacian 0.2181006E-01 (-1/4)Del**2(Rho)) -0.5452515E-02 Diamond 0.4357982E-03 Metallicity 0.4985194E+00 Ellipticity -0.1581048E+01 Gb(Abramov) 0.4088041E-02 Vb(Abramov) -0.2723566E-02 Hb(Abramov) 0.1364474E-02 Ex_ueg -0.6711696E-03 Ec_ueg -0.1569975E-03 Delta_ex -0.1002224E-02 Delta_ec 0.5228888E-03 Delta_et -0.2944895E-02 Pxc 0.4275033E+01 Qxc -0.1916705E+01 3,+1 103 3 -1 -1.975750 0.861057 3.022335 Rho 0.1607168E+00 |GRAD(Rho)| 0.1058708E-14 GRAD(Rho)x -0.7971190E-15 GRAD(Rho)y -0.5606952E-15 GRAD(Rho)z -0.4136231E-15 Laplacian 0.6347154E+00 (-1/4)Del**2(Rho)) -0.1586788E+00 Diamond 0.1396597E+01 Metallicity 0.5157860E+01 Ellipticity 0.5125311E-01 Gb(Abramov) 0.2421931E+00 Vb(Abramov) -0.3257073E+00 Hb(Abramov) -0.8351425E-01 Ex_ueg -0.6453570E-01 Ec_ueg -0.9133034E-02 Delta_ex -0.6932667E-01 Delta_ec 0.1581468E-01 Delta_et -0.2124335E+00 Pxc 0.7066184E+01 Qxc -0.4383690E+01 3,-1 104 3 -1 -3.215304 0.048245 -3.175318 Rho 0.2324655E+00 |GRAD(Rho)| 0.5921020E-13 GRAD(Rho)x 0.4587400E-13 GRAD(Rho)y -0.1871317E-13 GRAD(Rho)z 0.3242285E-13 Laplacian 0.8624041E+00 (-1/4)Del**2(Rho)) -0.2156010E+00 Diamond 0.2931135E+01 Metallicity 0.7022632E+01 Ellipticity 0.2311504E-01 Gb(Abramov) 0.3960818E+00 Vb(Abramov) -0.5765625E+00 Hb(Abramov) -0.1804807E+00 Ex_ueg -0.1055674E+00 Ec_ueg -0.1391983E-01 Delta_ex -0.1033104E+00 Delta_ec 0.1919046E-01 Delta_et -0.2653255E+00 Pxc 0.7583956E+01 Qxc -0.5383425E+01 3,-1 105 3 -1 -3.190771 -0.037554 3.235291 Rho 0.2417546E+00 |GRAD(Rho)| 0.5917599E-15 GRAD(Rho)x 0.2521854E-15 GRAD(Rho)y 0.1355253E-16 GRAD(Rho)z -0.5351622E-15 Laplacian 0.8806640E+00 (-1/4)Del**2(Rho)) -0.2201660E+00 Diamond 0.3141161E+01 Metallicity 0.7341095E+01 Ellipticity 0.1376409E-02 Gb(Abramov) 0.4161539E+00 Vb(Abramov) -0.6121418E+00 Hb(Abramov) -0.1959879E+00 Ex_ueg -0.1112290E+00 Ec_ueg -0.1456049E-01 Delta_ex -0.1065999E+00 Delta_ec 0.1940386E-01 Delta_et -0.2688033E+00 Pxc 0.7639099E+01 Qxc -0.5493748E+01 3,-1 106 3 -1 -2.963261 -0.946451 -2.047019 Rho 0.1305984E+00 |GRAD(Rho)| 0.1723166E-12 GRAD(Rho)x -0.8034719E-13 GRAD(Rho)y -0.1143058E-12 GRAD(Rho)z 0.1008540E-12 Laplacian 0.5048416E+00 (-1/4)Del**2(Rho)) -0.1262104E+00 Diamond 0.8837299E+00 Metallicity 0.4588682E+01 Ellipticity 0.2964670E-01 Gb(Abramov) 0.1806635E+00 Vb(Abramov) -0.2351166E+00 Hb(Abramov) -0.5445309E-01 Ex_ueg -0.4893681E-01 Ec_ueg -0.7213358E-02 Delta_ex -0.5262647E-01 Delta_ec 0.1362273E-01 Delta_et -0.1783043E+00 Pxc 0.6784192E+01 Qxc -0.3863138E+01 3,-1 107 3 -1 -2.764484 -0.549382 1.840206 Rho 0.1330011E+00 |GRAD(Rho)| 0.2003897E-14 GRAD(Rho)x 0.1310191E-16 GRAD(Rho)y 0.1187933E-14 GRAD(Rho)z 0.1613767E-14 Laplacian 0.5539922E+00 (-1/4)Del**2(Rho)) -0.1384981E+00 Diamond 0.9749485E+00 Metallicity 0.4310572E+01 Ellipticity 0.1209399E-01 Gb(Abramov) 0.1918330E+00 Vb(Abramov) -0.2451680E+00 Hb(Abramov) -0.5333495E-01 Ex_ueg -0.5014089E-01 Ec_ueg -0.7364389E-02 Delta_ex -0.5781283E-01 Delta_ec 0.1454439E-01 Delta_et -0.1903065E+00 Pxc 0.6808560E+01 Qxc -0.3974922E+01 3,-1 108 3 -1 -2.743397 0.487810 -1.837029 Rho 0.7999479E-01 |GRAD(Rho)| 0.1588608E-15 GRAD(Rho)x 0.2415145E-16 GRAD(Rho)y -0.4953279E-16 GRAD(Rho)z 0.1489965E-15 Laplacian 0.3379962E+00 (-1/4)Del**2(Rho)) -0.8449905E-01 Diamond 0.3215586E+00 Metallicity 0.3027872E+01 Ellipticity 0.3186144E-02 Gb(Abramov) 0.9897475E-01 Vb(Abramov) -0.1134505E+00 Hb(Abramov) -0.1447570E-01 Ex_ueg -0.2545662E-01 Ec_ueg -0.4130100E-02 Delta_ex -0.3130877E-01 Delta_ec 0.9909547E-02 Delta_et -0.1174415E+00 Pxc 0.6163680E+01 Qxc -0.3159455E+01 3,-1 109 3 +1 -1.747349 1.747195 -1.749173 Rho 0.1161765E-01 |GRAD(Rho)| 0.3504750E-14 GRAD(Rho)x 0.2985664E-14 GRAD(Rho)y 0.1483428E-14 GRAD(Rho)z -0.1080982E-14 Laplacian 0.5673299E-01 (-1/4)Del**2(Rho)) -0.1418325E-01 Diamond 0.2188781E-02 Metallicity 0.7238379E+00 Ellipticity -0.1282589E+01 Gb(Abramov) 0.1116656E-01 Vb(Abramov) -0.8149873E-02 Hb(Abramov) 0.3016687E-02 Ex_ueg -0.1943313E-02 Ec_ueg -0.4419473E-03 Delta_ex -0.2769273E-02 Delta_ec 0.7440433E-03 Delta_et -0.5529027E-02 Pxc 0.4397160E+01 Qxc -0.3721925E+01 3,+1 110 3 -1 -1.692449 1.650671 0.473369 Rho 0.4191320E-01 |GRAD(Rho)| 0.1536268E-15 GRAD(Rho)x 0.9699311E-16 GRAD(Rho)y -0.1183434E-15 GRAD(Rho)z -0.1372458E-16 Laplacian 0.1630938E+00 (-1/4)Del**2(Rho)) -0.4077345E-01 Diamond 0.6415770E-01 Metallicity 0.2136783E+01 Ellipticity 0.2533210E-01 Gb(Abramov) 0.4170297E-01 Vb(Abramov) -0.4263249E-01 Hb(Abramov) -0.9295213E-03 Ex_ueg -0.1075275E-01 Ec_ueg -0.1973001E-02 Delta_ex -0.1279662E-01 Delta_ec 0.4779248E-02 Delta_et -0.4808498E-01 Pxc 0.5449947E+01 Qxc -0.2677538E+01 3,-1 111 3 -1 -1.800726 2.765729 -0.572462 Rho 0.1458904E+00 |GRAD(Rho)| 0.1635657E-15 GRAD(Rho)x 0.6049848E-16 GRAD(Rho)y -0.8536059E-16 GRAD(Rho)z -0.1257268E-15 Laplacian 0.6034058E+00 (-1/4)Del**2(Rho)) -0.1508515E+00 Diamond 0.1189030E+01 Metallicity 0.4617228E+01 Ellipticity 0.1526845E-01 Gb(Abramov) 0.2166536E+00 Vb(Abramov) -0.2824557E+00 Hb(Abramov) -0.6580211E-01 Ex_ueg -0.5672230E-01 Ec_ueg -0.8180959E-02 Delta_ex -0.6442562E-01 Delta_ec 0.1553270E-01 Delta_et -0.2062197E+00 Pxc 0.6933454E+01 Qxc -0.4147741E+01 3,-1 112 3 +1 -0.099109 2.967378 0.130989 Rho 0.5227563E-02 |GRAD(Rho)| 0.5391386E-16 GRAD(Rho)x -0.2913803E-16 GRAD(Rho)y 0.6235564E-17 GRAD(Rho)z 0.4493103E-16 Laplacian 0.2151169E-01 (-1/4)Del**2(Rho)) -0.5377923E-02 Diamond 0.5682557E-03 Metallicity 0.5043949E+00 Ellipticity -0.5472795E+01 Gb(Abramov) 0.4037381E-02 Vb(Abramov) -0.2696840E-02 Hb(Abramov) 0.1340541E-02 Ex_ueg -0.6700657E-03 Ec_ueg -0.1567189E-03 Delta_ex -0.1110005E-02 Delta_ec 0.7331107E-03 Delta_et -0.4012541E-02 Pxc 0.4275591E+01 Qxc -0.1514103E+01 3,+1 113 3 -1 -1.986182 2.926858 0.842405 Rho 0.1252794E+00 |GRAD(Rho)| 0.1376069E-15 GRAD(Rho)x -0.4682398E-17 GRAD(Rho)y 0.3218048E-16 GRAD(Rho)z -0.1337092E-15 Laplacian 0.5017245E+00 (-1/4)Del**2(Rho)) -0.1254311E+00 Diamond 0.8190578E+00 Metallicity 0.4308051E+01 Ellipticity 0.2156859E-01 Gb(Abramov) 0.1736814E+00 Vb(Abramov) -0.2219316E+00 Hb(Abramov) -0.4825023E-01 Ex_ueg -0.4629756E-01 Ec_ueg -0.6880373E-02 Delta_ex -0.5157642E-01 Delta_ec 0.1330047E-01 Delta_et -0.1722218E+00 Pxc 0.6728932E+01 Qxc -0.3877791E+01 3,-1 114 3 -1 0.008209 2.974308 0.023522 Rho 0.5233761E-02 |GRAD(Rho)| 0.1992608E-14 GRAD(Rho)x -0.1446638E-14 GRAD(Rho)y -0.4826376E-15 GRAD(Rho)z 0.1282493E-14 Laplacian 0.2124081E-01 (-1/4)Del**2(Rho)) -0.5310202E-02 Diamond 0.6043767E-03 Metallicity 0.5118373E+00 Ellipticity 0.9338670E+01 Gb(Abramov) 0.3993128E-02 Vb(Abramov) -0.2676054E-02 Hb(Abramov) 0.1317074E-02 Ex_ueg -0.6711252E-03 Ec_ueg -0.1569863E-03 Delta_ex -0.1133301E-02 Delta_ec 0.7899907E-03 Delta_et -0.4300847E-02 Pxc 0.4275056E+01 Qxc -0.1434575E+01 3,-1 115 3 -1 -0.561844 2.774008 -1.794504 Rho 0.1274974E+00 |GRAD(Rho)| 0.1293413E-15 GRAD(Rho)x 0.4123356E-16 GRAD(Rho)y -0.1101617E-15 GRAD(Rho)z -0.5378998E-16 Laplacian 0.5308596E+00 (-1/4)Del**2(Rho)) -0.1327149E+00 Diamond 0.8731140E+00 Metallicity 0.4192463E+01 Ellipticity 0.1083387E-01 Gb(Abramov) 0.1812103E+00 Vb(Abramov) -0.2297057E+00 Hb(Abramov) -0.4849541E-01 Ex_ueg -0.4739367E-01 Ec_ueg -0.7018996E-02 Delta_ex -0.5465373E-01 Delta_ec 0.1374982E-01 Delta_et -0.1780831E+00 Pxc 0.6752200E+01 Qxc -0.3974870E+01 3,-1 116 3 +3 -1.112524 1.123677 -1.144427 Rho 0.5118597E-02 |GRAD(Rho)| 0.5530523E-16 GRAD(Rho)x -0.1293781E-16 GRAD(Rho)y 0.4796102E-16 GRAD(Rho)z 0.2431094E-16 Laplacian 0.2104741E-01 (-1/4)Del**2(Rho)) -0.5261853E-02 Diamond 0.1587314E-03 Metallicity 0.4977364E+00 Ellipticity -0.1883580E+00 Gb(Abramov) 0.3944405E-02 Vb(Abramov) -0.2626956E-02 Hb(Abramov) 0.1317448E-02 Ex_ueg -0.6515079E-03 Ec_ueg -0.1520201E-03 Delta_ex -0.7381825E-03 Delta_ec 0.1038874E-03 Delta_et -0.7935368E-03 Pxc 0.4285670E+01 Qxc -0.7105602E+01 3,+3 117 3 -1 0.098256 3.204719 3.190503 Rho 0.2291495E+00 |GRAD(Rho)| 0.3957007E-15 GRAD(Rho)x 0.8821340E-16 GRAD(Rho)y -0.5757114E-16 GRAD(Rho)z 0.3814223E-15 Laplacian 0.8181608E+00 (-1/4)Del**2(Rho)) -0.2045402E+00 Diamond 0.2753738E+01 Metallicity 0.7227242E+01 Ellipticity 0.3290062E-02 Gb(Abramov) 0.3827371E+00 Vb(Abramov) -0.5609339E+00 Hb(Abramov) -0.1781969E+00 Ex_ueg -0.1035643E+00 Ec_ueg -0.1369227E-01 Delta_ex -0.9776162E-01 Delta_ec 0.1849094E-01 Delta_et -0.2563644E+00 Pxc 0.7563706E+01 Qxc -0.5287000E+01 3,-1 118 3 -1 -0.820578 2.959979 1.993815 Rho 0.1375427E+00 |GRAD(Rho)| 0.4226175E-15 GRAD(Rho)x 0.3765976E-15 GRAD(Rho)y 0.3420658E-16 GRAD(Rho)z 0.1887054E-15 Laplacian 0.5387155E+00 (-1/4)Del**2(Rho)) -0.1346789E+00 Diamond 0.9743651E+00 Metallicity 0.4687948E+01 Ellipticity 0.4493815E-01 Gb(Abramov) 0.1950138E+00 Vb(Abramov) -0.2553488E+00 Hb(Abramov) -0.6033497E-01 Ex_ueg -0.5243666E-01 Ec_ueg -0.7650899E-02 Delta_ex -0.5653528E-01 Delta_ec 0.1377537E-01 Delta_et -0.1806850E+00 Pxc 0.6853660E+01 Qxc -0.4104084E+01 3,-1 119 3 +1 1.746585 1.788002 1.791889 Rho 0.1226676E-01 |GRAD(Rho)| 0.2463377E-13 GRAD(Rho)x 0.8000556E-15 GRAD(Rho)y -0.1774560E-13 GRAD(Rho)z 0.1706682E-13 Laplacian 0.6120534E-01 (-1/4)Del**2(Rho)) -0.1530133E-01 Diamond 0.2507077E-02 Metallicity 0.7345822E+00 Ellipticity -0.1258909E+01 Gb(Abramov) 0.1207424E-01 Vb(Abramov) -0.8847141E-02 Hb(Abramov) 0.3227097E-02 Ex_ueg -0.2089416E-02 Ec_ueg -0.4718976E-03 Delta_ex -0.3020268E-02 Delta_ec 0.7841636E-03 Delta_et -0.5919399E-02 Pxc 0.4427690E+01 Qxc -0.3851578E+01 3,+1 120 3 -1 -0.461757 -0.391027 -0.417251 Rho 0.2076519E+00 |GRAD(Rho)| 0.2992514E-15 GRAD(Rho)x -0.2220837E-15 GRAD(Rho)y 0.1145070E-15 GRAD(Rho)z 0.1646767E-15 Laplacian 0.7728243E+00 (-1/4)Del**2(Rho)) -0.1932061E+00 Diamond 0.2526355E+01 Metallicity 0.6492704E+01 Ellipticity 0.3488274E-01 Gb(Abramov) 0.3378757E+00 Vb(Abramov) -0.4825453E+00 Hb(Abramov) -0.1446696E+00 Ex_ueg -0.9081682E-01 Ec_ueg -0.1223172E-01 Delta_ex -0.9142130E-01 Delta_ec 0.2044762E-01 Delta_et -0.2907880E+00 Pxc 0.7424700E+01 Qxc -0.4471001E+01 3,-1 121 3 +1 -1.028625 1.335999 2.130293 Rho 0.2261238E-01 |GRAD(Rho)| 0.2508068E-15 GRAD(Rho)x 0.9678591E-16 GRAD(Rho)y 0.1799166E-15 GRAD(Rho)z 0.1454872E-15 Laplacian 0.8727750E-01 (-1/4)Del**2(Rho)) -0.2181938E-01 Diamond 0.9518144E-02 Metallicity 0.1427649E+01 Ellipticity -0.2800868E+01 Gb(Abramov) 0.1973798E-01 Vb(Abramov) -0.1765659E-01 Hb(Abramov) 0.2081391E-02 Ex_ueg -0.4722589E-02 Ec_ueg -0.9692692E-03 Delta_ex -0.5232398E-02 Delta_ec 0.1387009E-02 Delta_et -0.1197230E-01 Pxc 0.4872319E+01 Qxc -0.3772433E+01 3,+1 122 3 +1 -2.188766 -1.340287 -1.088802 Rho 0.2721422E-01 |GRAD(Rho)| 0.1533888E-14 GRAD(Rho)x -0.8511135E-15 GRAD(Rho)y -0.1121593E-14 GRAD(Rho)z 0.6086433E-15 Laplacian 0.1123002E+00 (-1/4)Del**2(Rho)) -0.2807505E-01 Diamond 0.1722794E-01 Metallicity 0.1510865E+01 Ellipticity -0.4259840E+01 Gb(Abramov) 0.2578630E-01 Vb(Abramov) -0.2349756E-01 Hb(Abramov) 0.2288749E-02 Ex_ueg -0.6045694E-02 Ec_ueg -0.1200830E-02 Delta_ex -0.7214812E-02 Delta_ec 0.2030240E-02 Delta_et -0.1827346E-01 Pxc 0.5034596E+01 Qxc -0.3553675E+01 3,+1 123 3 -1 0.433166 -1.735993 1.663576 Rho 0.4222482E-01 |GRAD(Rho)| 0.6058138E-16 GRAD(Rho)x 0.1334649E-16 GRAD(Rho)y 0.1700673E-16 GRAD(Rho)z -0.5659281E-16 Laplacian 0.1663489E+00 (-1/4)Del**2(Rho)) -0.4158722E-01 Diamond 0.6642990E-01 Metallicity 0.2120995E+01 Ellipticity 0.1163514E-01 Gb(Abramov) 0.4242586E-01 Vb(Abramov) -0.4326450E-01 Hb(Abramov) -0.8386406E-03 Ex_ueg -0.1085947E-01 Ec_ueg -0.1989827E-02 Delta_ex -0.1309394E-01 Delta_ec 0.4906118E-02 Delta_et -0.4946394E-01 Pxc 0.5457495E+01 Qxc -0.2668900E+01 3,-1 124 3 -1 0.803783 -1.958411 3.000449 Rho 0.1407133E+00 |GRAD(Rho)| 0.8402587E-12 GRAD(Rho)x -0.5825720E-12 GRAD(Rho)y -0.5345365E-12 GRAD(Rho)z -0.2844561E-12 Laplacian 0.5600672E+00 (-1/4)Del**2(Rho)) -0.1400168E+00 Diamond 0.1053431E+01 Metallicity 0.4683797E+01 Ellipticity 0.3376162E-01 Gb(Abramov) 0.2026463E+00 Vb(Abramov) -0.2652757E+00 Hb(Abramov) -0.6262945E-01 Ex_ueg -0.5405449E-01 Ec_ueg -0.7851705E-02 Delta_ex -0.5923759E-01 Delta_ec 0.1448053E-01 Delta_et -0.1910868E+00 Pxc 0.6884427E+01 Qxc -0.4090844E+01 3,-1 125 3 -1 1.573213 -1.782209 0.399714 Rho 0.4276245E-01 |GRAD(Rho)| 0.1596731E-15 GRAD(Rho)x -0.1350387E-15 GRAD(Rho)y 0.5949454E-16 GRAD(Rho)z 0.6099569E-16 Laplacian 0.1658553E+00 (-1/4)Del**2(Rho)) -0.4146382E-01 Diamond 0.6805850E-01 Metallicity 0.2172642E+01 Ellipticity 0.1750992E-01 Gb(Abramov) 0.4265689E-01 Vb(Abramov) -0.4384995E-01 Hb(Abramov) -0.1193068E-02 Ex_ueg -0.1104422E-01 Ec_ueg -0.2018899E-02 Delta_ex -0.1313225E-01 Delta_ec 0.4955243E-02 Delta_et -0.5013853E-01 Pxc 0.5470420E+01 Qxc -0.2650174E+01 3,-1 126 3 -1 2.785836 0.579833 1.839228 Rho 0.1322464E+00 |GRAD(Rho)| 0.2519782E-15 GRAD(Rho)x -0.1194859E-15 GRAD(Rho)y -0.1018066E-15 GRAD(Rho)z 0.1971080E-15 Laplacian 0.5583165E+00 (-1/4)Del**2(Rho)) -0.1395791E+00 Diamond 0.9629268E+00 Metallicity 0.4236809E+01 Ellipticity 0.1920098E-01 Gb(Abramov) 0.1916144E+00 Vb(Abramov) -0.2436498E+00 Hb(Abramov) -0.5203532E-01 Ex_ueg -0.4976187E-01 Ec_ueg -0.7316906E-02 Delta_ex -0.5803165E-01 Delta_ec 0.1440577E-01 Delta_et -0.1878027E+00 Pxc 0.6800944E+01 Qxc -0.4028362E+01 3,-1 127 3 +1 2.120927 0.989100 -1.353635 Rho 0.2215719E-01 |GRAD(Rho)| 0.9285081E-15 GRAD(Rho)x 0.3869734E-15 GRAD(Rho)y -0.4525043E-15 GRAD(Rho)z -0.7124736E-15 Laplacian 0.8457951E-01 (-1/4)Del**2(Rho)) -0.2114488E-01 Diamond 0.9101682E-02 Metallicity 0.1424096E+01 Ellipticity -0.2941662E+01 Gb(Abramov) 0.1911531E-01 Vb(Abramov) -0.1708573E-01 Hb(Abramov) 0.2029571E-02 Ex_ueg -0.4596260E-02 Ec_ueg -0.9466765E-03 Delta_ex -0.5060015E-02 Delta_ec 0.1374312E-02 Delta_et -0.1179416E-01 Pxc 0.4855154E+01 Qxc -0.3681852E+01 3,+1 128 3 -1 2.946628 0.780221 -1.989868 Rho 0.8089426E-01 |GRAD(Rho)| 0.8010620E-15 GRAD(Rho)x -0.4176736E-15 GRAD(Rho)y -0.5500361E-15 GRAD(Rho)z -0.4058440E-15 Laplacian 0.3280181E+00 (-1/4)Del**2(Rho)) -0.8200453E-01 Diamond 0.3130746E+00 Metallicity 0.3178665E+01 Ellipticity 0.3727119E-02 Gb(Abramov) 0.9811385E-01 Vb(Abramov) -0.1142232E+00 Hb(Abramov) -0.1610932E-01 Ex_ueg -0.2583898E-01 Ec_ueg -0.4183057E-02 Delta_ex -0.3038764E-01 Delta_ec 0.9463265E-02 Delta_et -0.1123233E+00 Pxc 0.6177056E+01 Qxc -0.3211116E+01 3,-1 129 3 -1 -2.988165 1.948702 0.851044 Rho 0.1307183E+00 |GRAD(Rho)| 0.2357106E-14 GRAD(Rho)x 0.8094924E-15 GRAD(Rho)y 0.1467969E-14 GRAD(Rho)z -0.1657027E-14 Laplacian 0.5160947E+00 (-1/4)Del**2(Rho)) -0.1290237E+00 Diamond 0.8936673E+00 Metallicity 0.4495497E+01 Ellipticity 0.2252990E-01 Gb(Abramov) 0.1826867E+00 Vb(Abramov) -0.2363497E+00 Hb(Abramov) -0.5366304E-01 Ex_ueg -0.4899671E-01 Ec_ueg -0.7220884E-02 Delta_ex -0.5368264E-01 Delta_ec 0.1369351E-01 Delta_et -0.1788382E+00 Pxc 0.6785416E+01 Qxc -0.3920297E+01 3,-1 130 3 -1 -1.684148 0.495547 1.707539 Rho 0.4035836E-01 |GRAD(Rho)| 0.1558523E-15 GRAD(Rho)x 0.8358352E-16 GRAD(Rho)y 0.6204972E-16 GRAD(Rho)z -0.1159895E-15 Laplacian 0.1569406E+00 (-1/4)Del**2(Rho)) -0.3923515E-01 Diamond 0.5855317E-01 Metallicity 0.2084973E+01 Ellipticity 0.1331737E-01 Gb(Abramov) 0.3979080E-01 Vb(Abramov) -0.4034646E-01 Hb(Abramov) -0.5556541E-03 Ex_ueg -0.1022421E-01 Ec_ueg -0.1889297E-02 Delta_ex -0.1219323E-01 Delta_ec 0.4590874E-02 Delta_et -0.4572397E-01 Pxc 0.5411647E+01 Qxc -0.2655971E+01 3,-1 131 3 -1 -1.778550 0.500061 -2.834136 Rho 0.1309032E+00 |GRAD(Rho)| 0.2464185E-15 GRAD(Rho)x 0.1399163E-15 GRAD(Rho)y 0.1955630E-15 GRAD(Rho)z -0.5385774E-16 Laplacian 0.5441946E+00 (-1/4)Del**2(Rho)) -0.1360487E+00 Diamond 0.9494211E+00 Metallicity 0.4273427E+01 Ellipticity 0.1445155E-01 Gb(Abramov) 0.1875981E+00 Vb(Abramov) -0.2391475E+00 Hb(Abramov) -0.5154945E-01 Ex_ueg -0.4908916E-01 Ec_ueg -0.7232498E-02 Delta_ex -0.5669040E-01 Delta_ec 0.1455139E-01 Delta_et -0.1903044E+00 Pxc 0.6787304E+01 Qxc -0.3895875E+01 3,-1 132 3 +1 -2.129640 1.190941 1.178883 Rho 0.2474835E-01 |GRAD(Rho)| 0.4712855E-16 GRAD(Rho)x -0.3895754E-16 GRAD(Rho)y 0.2539580E-16 GRAD(Rho)z 0.7646139E-17 Laplacian 0.9639152E-01 (-1/4)Del**2(Rho)) -0.2409788E-01 Diamond 0.1288442E-01 Metallicity 0.1502513E+01 Ellipticity -0.4562621E+01 Gb(Abramov) 0.2209981E-01 Vb(Abramov) -0.2010175E-01 Hb(Abramov) 0.1998066E-02 Ex_ueg -0.5326559E-02 Ec_ueg -0.1076052E-02 Delta_ex -0.6028596E-02 Delta_ec 0.1724495E-02 Delta_et -0.1516356E-01 Pxc 0.4950093E+01 Qxc -0.3495862E+01 3,+1 133 3 +1 0.552150 1.688920 0.501526 Rho 0.7400598E-02 |GRAD(Rho)| 0.1245449E-16 GRAD(Rho)x 0.1667117E-17 GRAD(Rho)y 0.1134357E-16 GRAD(Rho)z -0.4863980E-17 Laplacian 0.3036370E-01 (-1/4)Del**2(Rho)) -0.7590926E-02 Diamond 0.7131103E-03 Metallicity 0.6378272E+00 Ellipticity -0.1411669E+01 Gb(Abramov) 0.5867567E-02 Vb(Abramov) -0.4144208E-02 Hb(Abramov) 0.1723359E-02 Ex_ueg -0.1065142E-02 Ec_ueg -0.2516394E-03 Delta_ex -0.1363702E-02 Delta_ec 0.4772077E-03 Delta_et -0.3095266E-02 Pxc 0.4232810E+01 Qxc -0.2857670E+01 3,+1 134 3 -1 -2.981466 0.855110 2.019200 Rho 0.1490483E+00 |GRAD(Rho)| 0.4216374E-15 GRAD(Rho)x -0.2365865E-15 GRAD(Rho)y 0.2215161E-15 GRAD(Rho)z -0.2696953E-15 Laplacian 0.5949523E+00 (-1/4)Del**2(Rho)) -0.1487381E+00 Diamond 0.1196966E+01 Metallicity 0.4852988E+01 Ellipticity 0.4529127E-01 Gb(Abramov) 0.2194627E+00 Vb(Abramov) -0.2901874E+00 Hb(Abramov) -0.7072464E-01 Ex_ueg -0.5836524E-01 Ec_ueg -0.8382616E-02 Delta_ex -0.6379721E-01 Delta_ec 0.1512774E-01 Delta_et -0.2012207E+00 Pxc 0.6962651E+01 Qxc -0.4217234E+01 3,-1 135 3 -1 -1.856105 -2.781057 0.611539 Rho 0.1141646E+00 |GRAD(Rho)| 0.1987515E-15 GRAD(Rho)x -0.1229214E-15 GRAD(Rho)y -0.7448808E-17 GRAD(Rho)z -0.1560031E-15 Laplacian 0.4703033E+00 (-1/4)Del**2(Rho)) -0.1175758E+00 Diamond 0.6823157E+00 Metallicity 0.3936597E+01 Ellipticity 0.1642510E-01 Gb(Abramov) 0.1555253E+00 Vb(Abramov) -0.1934748E+00 Hb(Abramov) -0.3794950E-01 Ex_ueg -0.4090349E-01 Ec_ueg -0.6190807E-02 Delta_ex -0.4722601E-01 Delta_ec 0.1263084E-01 Delta_et -0.1607510E+00 Pxc 0.6607133E+01 Qxc -0.3738945E+01 3,-1 136 3 -1 -0.607078 -2.788987 1.856532 Rho 0.1575165E+00 |GRAD(Rho)| 0.2425568E-11 GRAD(Rho)x -0.1636103E-11 GRAD(Rho)y -0.5760244E-12 GRAD(Rho)z -0.1695507E-11 Laplacian 0.6586803E+00 (-1/4)Del**2(Rho)) -0.1646701E+00 Diamond 0.1409235E+01 Metallicity 0.4806350E+01 Ellipticity 0.2906211E-01 Gb(Abramov) 0.2416904E+00 Vb(Abramov) -0.3187107E+00 Hb(Abramov) -0.7702032E-01 Ex_ueg -0.6282801E-01 Ec_ueg -0.8926404E-02 Delta_ex -0.7153523E-01 Delta_ec 0.1640380E-01 Delta_et -0.2195511E+00 Pxc 0.7038445E+01 Qxc -0.4360893E+01 3,-1 137 3 -1 -0.078764 -3.188062 3.234506 Rho 0.2415868E+00 |GRAD(Rho)| 0.2135013E-14 GRAD(Rho)x 0.2470626E-15 GRAD(Rho)y 0.1047122E-14 GRAD(Rho)z -0.1844119E-14 Laplacian 0.8822897E+00 (-1/4)Del**2(Rho)) -0.2205724E+00 Diamond 0.3141852E+01 Metallicity 0.7319092E+01 Ellipticity 0.2807269E-02 Gb(Abramov) 0.4161133E+00 Vb(Abramov) -0.6116541E+00 Hb(Abramov) -0.1955408E+00 Ex_ueg -0.1111261E+00 Ec_ueg -0.1454887E-01 Delta_ex -0.1067643E+00 Delta_ec 0.1942035E-01 Delta_et -0.2689217E+00 Pxc 0.7638123E+01 Qxc -0.5497545E+01 3,-1 138 3 -1 0.834256 -2.981414 2.030184 Rho 0.1492104E+00 |GRAD(Rho)| 0.3683957E-15 GRAD(Rho)x 0.2972340E-15 GRAD(Rho)y -0.1021318E-15 GRAD(Rho)z -0.1921884E-15 Laplacian 0.5950871E+00 (-1/4)Del**2(Rho)) -0.1487718E+00 Diamond 0.1198133E+01 Metallicity 0.4860689E+01 Ellipticity 0.5118536E-01 Gb(Abramov) 0.2197034E+00 Vb(Abramov) -0.2906350E+00 Hb(Abramov) -0.7093163E-01 Ex_ueg -0.5844992E-01 Ec_ueg -0.8392988E-02 Delta_ex -0.6382201E-01 Delta_ec 0.1511511E-01 Delta_et -0.2010560E+00 Pxc 0.6964137E+01 Qxc -0.4222397E+01 3,-1 139 3 -1 1.973002 0.805244 -2.997543 Rho 0.1272347E+00 |GRAD(Rho)| 0.4025768E-15 GRAD(Rho)x 0.3060838E-15 GRAD(Rho)y -0.1519238E-16 GRAD(Rho)z 0.2610556E-15 Laplacian 0.4944266E+00 (-1/4)Del**2(Rho)) -0.1236067E+00 Diamond 0.8354641E+00 Metallicity 0.4485944E+01 Ellipticity 0.2205441E-01 Gb(Abramov) 0.1748199E+00 Vb(Abramov) -0.2260331E+00 Hb(Abramov) -0.5121320E-01 Ex_ueg -0.4726349E-01 Ec_ueg -0.7002557E-02 Delta_ex -0.5117878E-01 Delta_ec 0.1335041E-01 Delta_et -0.1738410E+00 Pxc 0.6749461E+01 Qxc -0.3833498E+01 3,-1 140 3 +1 0.094476 2.979846 -0.063251 Rho 0.5230235E-02 |GRAD(Rho)| 0.5841936E-13 GRAD(Rho)x 0.3845572E-13 GRAD(Rho)y 0.2316140E-13 GRAD(Rho)z 0.3738353E-13 Laplacian 0.2138903E-01 (-1/4)Del**2(Rho)) -0.5347258E-02 Diamond 0.5708929E-03 Metallicity 0.5077198E+00 Ellipticity -0.6554180E+01 Gb(Abramov) 0.4017323E-02 Vb(Abramov) -0.2687389E-02 Hb(Abramov) 0.1329934E-02 Ex_ueg -0.6705225E-03 Ec_ueg -0.1568342E-03 Delta_ex -0.1108582E-02 Delta_ec 0.7375006E-03 Delta_et -0.4034008E-02 Pxc 0.4275360E+01 Qxc -0.1503161E+01 3,+1 141 3 -1 -1.712144 -0.554023 -1.762839 Rho 0.5214982E-01 |GRAD(Rho)| 0.5953010E-16 GRAD(Rho)x -0.4133605E-16 GRAD(Rho)y 0.3063083E-16 GRAD(Rho)z -0.2994854E-16 Laplacian 0.2105215E+00 (-1/4)Del**2(Rho)) -0.5263038E-01 Diamond 0.1152981E+00 Metallicity 0.2382711E+01 Ellipticity 0.1149407E-01 Gb(Abramov) 0.5598742E-01 Vb(Abramov) -0.5934446E-01 Hb(Abramov) -0.3357036E-02 Ex_ueg -0.1438982E-01 Ec_ueg -0.2534048E-02 Delta_ex -0.1760693E-01 Delta_ec 0.6437556E-02 Delta_et -0.6868410E-01 Pxc 0.5678591E+01 Qxc -0.2735034E+01 3,-1 142 3 +3 -1.816095 1.812658 1.853605 Rho 0.1209189E-01 |GRAD(Rho)| 0.1786988E-15 GRAD(Rho)x 0.9919183E-16 GRAD(Rho)y -0.9203540E-16 GRAD(Rho)z -0.1167207E-15 Laplacian 0.5466253E-01 (-1/4)Del**2(Rho)) -0.1366563E-01 Diamond 0.1146540E-02 Metallicity 0.8030580E+00 Ellipticity -0.5600414E+00 Gb(Abramov) 0.1093947E-01 Vb(Abramov) -0.8213309E-02 Hb(Abramov) 0.2726161E-02 Ex_ueg -0.2049795E-02 Ec_ueg -0.4638125E-03 Delta_ex -0.2387147E-02 Delta_ec 0.1646648E-03 Delta_et -0.1654013E-02 Pxc 0.4419448E+01 Qxc -0.1449701E+02 3,+3 143 3 +1 1.177881 -2.177672 1.127569 Rho 0.2614554E-01 |GRAD(Rho)| 0.3731571E-16 GRAD(Rho)x -0.5441575E-17 GRAD(Rho)y -0.3571213E-16 GRAD(Rho)z 0.9353860E-17 Laplacian 0.1053173E+00 (-1/4)Del**2(Rho)) -0.2632932E-01 Diamond 0.1571973E-01 Metallicity 0.1506987E+01 Ellipticity -0.5827778E+01 Gb(Abramov) 0.2416587E-01 Vb(Abramov) -0.2200242E-01 Hb(Abramov) 0.2163448E-02 Ex_ueg -0.5731239E-02 Ec_ueg -0.1146562E-02 Delta_ex -0.6738492E-02 Delta_ec 0.1982405E-02 Delta_et -0.1765222E-01 Pxc 0.4998632E+01 Qxc -0.3399149E+01 3,+1 144 3 -1 0.826776 2.966295 -1.953485 Rho 0.1239477E+00 |GRAD(Rho)| 0.1266497E-15 GRAD(Rho)x 0.3996640E-16 GRAD(Rho)y 0.1105344E-15 GRAD(Rho)z 0.4716957E-16 Laplacian 0.4876339E+00 (-1/4)Del**2(Rho)) -0.1219085E+00 Diamond 0.7784530E+00 Metallicity 0.4354281E+01 Ellipticity 0.3977021E-01 Gb(Abramov) 0.1697430E+00 Vb(Abramov) -0.2175774E+00 Hb(Abramov) -0.4783446E-01 Ex_ueg -0.4564250E-01 Ec_ueg -0.6797297E-02 Delta_ex -0.4990409E-01 Delta_ec 0.1278890E-01 Delta_et -0.1650039E+00 Pxc 0.6714802E+01 Qxc -0.3902141E+01 3,-1 145 3 +1 1.176303 2.087734 -1.174679 Rho 0.2247756E-01 |GRAD(Rho)| 0.8397498E-14 GRAD(Rho)x 0.3021070E-14 GRAD(Rho)y 0.7455267E-14 GRAD(Rho)z -0.2410414E-14 Laplacian 0.8744483E-01 (-1/4)Del**2(Rho)) -0.2186121E-01 Diamond 0.1074812E-01 Metallicity 0.1410786E+01 Ellipticity -0.5500135E+01 Gb(Abramov) 0.1971438E-01 Vb(Abramov) -0.1756756E-01 Hb(Abramov) 0.2146823E-02 Ex_ueg -0.4685083E-02 Ec_ueg -0.9625715E-03 Delta_ex -0.5395476E-02 Delta_ec 0.1677904E-02 Delta_et -0.1436901E-01 Pxc 0.4867257E+01 Qxc -0.3215605E+01 3,+1 146 3 -1 1.965105 -0.831812 2.984375 Rho 0.1310517E+00 |GRAD(Rho)| 0.3256286E-12 GRAD(Rho)x 0.2102876E-12 GRAD(Rho)y 0.2124793E-12 GRAD(Rho)z -0.1290955E-12 Laplacian 0.5158306E+00 (-1/4)Del**2(Rho)) -0.1289577E+00 Diamond 0.8831333E+00 Metallicity 0.4516936E+01 Ellipticity 0.3644506E-01 Gb(Abramov) 0.1830540E+00 Vb(Abramov) -0.2371504E+00 Hb(Abramov) -0.5409637E-01 Ex_ueg -0.4916342E-01 Ec_ueg -0.7241824E-02 Delta_ex -0.5353524E-01 Delta_ec 0.1340533E-01 Delta_et -0.1746384E+00 Pxc 0.6788817E+01 Qxc -0.3993579E+01 3,-1 147 3 -1 1.852105 -0.638388 -3.009209 Rho 0.2373350E+00 |GRAD(Rho)| 0.3360503E-15 GRAD(Rho)x -0.3333380E-15 GRAD(Rho)y -0.4255494E-16 GRAD(Rho)z 0.2168404E-17 Laplacian 0.9078838E+00 (-1/4)Del**2(Rho)) -0.2269709E+00 Diamond 0.3138153E+01 Metallicity 0.6905355E+01 Ellipticity 0.1350874E-01 Gb(Abramov) 0.4125331E+00 Vb(Abramov) -0.5980953E+00 Hb(Abramov) -0.1855622E+00 Ex_ueg -0.1085261E+00 Ec_ueg -0.1425509E-01 Delta_ex -0.1092100E+00 Delta_ec 0.1983373E-01 Delta_et -0.2733668E+00 Pxc 0.7613149E+01 Qxc -0.5506274E+01 3,-1 148 3 -1 3.228719 3.205616 0.039680 Rho 0.2405428E+00 |GRAD(Rho)| 0.2599049E-13 GRAD(Rho)x -0.4160626E-14 GRAD(Rho)y 0.1856458E-13 GRAD(Rho)z 0.1770738E-13 Laplacian 0.8672003E+00 (-1/4)Del**2(Rho)) -0.2168001E+00 Diamond 0.3083115E+01 Metallicity 0.7392889E+01 Ellipticity 0.4015156E-02 Gb(Abramov) 0.4116632E+00 Vb(Abramov) -0.6065264E+00 Hb(Abramov) -0.1948631E+00 Ex_ueg -0.1104862E+00 Ec_ueg -0.1447664E-01 Delta_ex -0.1048783E+00 Delta_ec 0.1921755E-01 Delta_et -0.2665410E+00 Pxc 0.7632034E+01 Qxc -0.5457421E+01 3,-1 149 3 -1 -2.004717 -3.083892 -0.712407 Rho 0.1416978E+00 |GRAD(Rho)| 0.2570107E-13 GRAD(Rho)x -0.1775595E-13 GRAD(Rho)y 0.1171086E-13 GRAD(Rho)z 0.1442661E-13 Laplacian 0.5277274E+00 (-1/4)Del**2(Rho)) -0.1319318E+00 Diamond 0.1011529E+01 Metallicity 0.5028929E+01 Ellipticity 0.1249540E+00 Gb(Abramov) 0.1985339E+00 Vb(Abramov) -0.2651359E+00 Hb(Abramov) -0.6660203E-01 Ex_ueg -0.5455936E-01 Ec_ueg -0.7914192E-02 Delta_ex -0.5602563E-01 Delta_ec 0.1382416E-01 Delta_et -0.1830454E+00 Pxc 0.6893864E+01 Qxc -0.4052732E+01 3,-1 150 3 -1 -0.571375 1.799176 -2.775960 Rho 0.1406754E+00 |GRAD(Rho)| 0.3029875E-15 GRAD(Rho)x 0.2270455E-15 GRAD(Rho)y 0.1859542E-15 GRAD(Rho)z 0.7531817E-16 Laplacian 0.6002783E+00 (-1/4)Del**2(Rho)) -0.1500696E+00 Diamond 0.1104731E+01 Metallicity 0.4368084E+01 Ellipticity 0.3136468E-01 Gb(Abramov) 0.2092991E+00 Vb(Abramov) -0.2685287E+00 Hb(Abramov) -0.5922957E-01 Ex_ueg -0.5403512E-01 Ec_ueg -0.7849306E-02 Delta_ex -0.6322641E-01 Delta_ec 0.1505683E-01 Delta_et -0.1977119E+00 Pxc 0.6884063E+01 Qxc -0.4199186E+01 3,-1 151 3 -1 -0.468373 1.693867 1.686982 Rho 0.3495672E-01 |GRAD(Rho)| 0.1466062E-16 GRAD(Rho)x -0.1078141E-16 GRAD(Rho)y -0.9803983E-17 GRAD(Rho)z 0.1605339E-17 Laplacian 0.1428418E+00 (-1/4)Del**2(Rho)) -0.3571046E-01 Diamond 0.4557394E-01 Metallicity 0.1802917E+01 Ellipticity 0.4187207E-01 Gb(Abramov) 0.3453746E-01 Vb(Abramov) -0.3336447E-01 Hb(Abramov) 0.1172990E-02 Ex_ueg -0.8441624E-02 Ec_ueg -0.1602002E-02 Delta_ex -0.1083099E-01 Delta_ec 0.4398174E-02 Delta_et -0.4214201E-01 Pxc 0.5269422E+01 Qxc -0.2462611E+01 3,-1 152 3 -1 -0.818184 1.991350 2.986621 Rho 0.1103701E+00 |GRAD(Rho)| 0.1861155E-12 GRAD(Rho)x -0.1350903E-12 GRAD(Rho)y -0.1007619E-12 GRAD(Rho)z 0.7897226E-13 Laplacian 0.4355474E+00 (-1/4)Del**2(Rho)) -0.1088868E+00 Diamond 0.6056644E+00 Metallicity 0.4017881E+01 Ellipticity 0.2561099E-01 Gb(Abramov) 0.1455070E+00 Vb(Abramov) -0.1821271E+00 Hb(Abramov) -0.3662012E-01 Ex_ueg -0.3910094E-01 Ec_ueg -0.5957410E-02 Delta_ex -0.4337170E-01 Delta_ec 0.1176085E-01 Delta_et -0.1487203E+00 Pxc 0.6563413E+01 Qxc -0.3687803E+01 3,-1 153 3 +3 1.828637 1.802865 -1.805278 Rho 0.1161782E-01 |GRAD(Rho)| 0.1440535E-16 GRAD(Rho)x 0.1152969E-16 GRAD(Rho)y -0.8336949E-17 GRAD(Rho)z -0.2252924E-17 Laplacian 0.5242360E-01 (-1/4)Del**2(Rho)) -0.1310590E-01 Diamond 0.1053931E-02 Metallicity 0.7833592E+00 Ellipticity -0.4724341E+00 Gb(Abramov) 0.1044837E-01 Vb(Abramov) -0.7790843E-02 Hb(Abramov) 0.2657529E-02 Ex_ueg -0.1943352E-02 Ec_ueg -0.4419553E-03 Delta_ex -0.2266675E-02 Delta_ec 0.1657277E-03 Delta_et -0.1635116E-02 Pxc 0.4397169E+01 Qxc -0.1367710E+02 3,+3 154 3 -1 0.474518 1.643276 -1.708107 Rho 0.3877024E-01 |GRAD(Rho)| 0.1920394E-16 GRAD(Rho)x -0.1025736E-16 GRAD(Rho)y 0.1377657E-16 GRAD(Rho)z -0.8589761E-17 Laplacian 0.1578713E+00 (-1/4)Del**2(Rho)) -0.3946782E-01 Diamond 0.5797715E-01 Metallicity 0.1938537E+01 Ellipticity 0.1399815E-01 Gb(Abramov) 0.3906352E-01 Vb(Abramov) -0.3865922E-01 Hb(Abramov) 0.4043008E-03 Ex_ueg -0.9691322E-02 Ec_ueg -0.1804254E-02 Delta_ex -0.1227727E-01 Delta_ec 0.4857672E-02 Delta_et -0.4788506E-01 Pxc 0.5371375E+01 Qxc -0.2527398E+01 3,-1 155 3 -1 2.795298 1.831503 0.586941 Rho 0.1402356E+00 |GRAD(Rho)| 0.8285118E-12 GRAD(Rho)x 0.1489326E-12 GRAD(Rho)y -0.5634148E-12 GRAD(Rho)z 0.5889097E-12 Laplacian 0.5878534E+00 (-1/4)Del**2(Rho)) -0.1469634E+00 Diamond 0.1104042E+01 Metallicity 0.4437188E+01 Ellipticity 0.1325081E-01 Gb(Abramov) 0.2066596E+00 Vb(Abramov) -0.2663558E+00 Hb(Abramov) -0.5969623E-01 Ex_ueg -0.5380997E-01 Ec_ueg -0.7821412E-02 Delta_ex -0.6215615E-01 Delta_ec 0.1526707E-01 Delta_et -0.2014784E+00 Pxc 0.6879828E+01 Qxc -0.4071256E+01 3,-1 156 3 -1 -3.270012 -3.144935 0.089740 Rho 0.2312213E+00 |GRAD(Rho)| 0.1997609E-13 GRAD(Rho)x 0.7727651E-15 GRAD(Rho)y -0.1403559E-13 GRAD(Rho)z 0.1419328E-13 Laplacian 0.8414246E+00 (-1/4)Del**2(Rho)) -0.2103561E+00 Diamond 0.2851766E+01 Metallicity 0.7133638E+01 Ellipticity 0.9502319E-03 Gb(Abramov) 0.3903382E+00 Vb(Abramov) -0.5703202E+00 Hb(Abramov) -0.1799820E+00 Ex_ueg -0.1048147E+00 Ec_ueg -0.1383438E-01 Delta_ex -0.1007144E+00 Delta_ec 0.1885630E-01 Delta_et -0.2610822E+00 Pxc 0.7576394E+01 Qxc -0.5341153E+01 3,-1 157 3 -1 0.309766 0.303611 -0.411585 Rho 0.1979494E+00 |GRAD(Rho)| 0.8124602E-14 GRAD(Rho)x -0.4092067E-14 GRAD(Rho)y -0.4727636E-14 GRAD(Rho)z 0.5187832E-14 Laplacian 0.6670423E+00 (-1/4)Del**2(Rho)) -0.1667606E+00 Diamond 0.2094080E+01 Metallicity 0.6945712E+01 Ellipticity 0.6839708E-02 Gb(Abramov) 0.3042189E+00 Vb(Abramov) -0.4416772E+00 Hb(Abramov) -0.1374583E+00 Ex_ueg -0.8520348E-01 Ec_ueg -0.1158091E-01 Delta_ex -0.7821437E-01 Delta_ec 0.1830245E-01 Delta_et -0.2600871E+00 Pxc 0.7357237E+01 Qxc -0.4273438E+01 3,-1 158 3 -1 1.699502 1.652777 -0.528197 Rho 0.3327877E-01 |GRAD(Rho)| 0.1015294E-15 GRAD(Rho)x -0.7586260E-16 GRAD(Rho)y -0.6705483E-16 GRAD(Rho)z -0.7532240E-17 Laplacian 0.1270553E+00 (-1/4)Del**2(Rho)) -0.3176383E-01 Diamond 0.3581146E-01 Metallicity 0.1867379E+01 Ellipticity 0.4019354E-01 Gb(Abramov) 0.3106173E-01 Vb(Abramov) -0.3035964E-01 Hb(Abramov) 0.7020930E-03 Ex_ueg -0.7905719E-02 Ec_ueg -0.1513937E-02 Delta_ex -0.9363459E-02 Delta_ec 0.3634495E-02 Delta_et -0.3435348E-01 Pxc 0.5221960E+01 Qxc -0.2576275E+01 3,-1 159 3 -1 1.723036 -2.985914 -0.601411 Rho 0.2219995E+00 |GRAD(Rho)| 0.4003047E-12 GRAD(Rho)x 0.2925973E-12 GRAD(Rho)y 0.1359175E-12 GRAD(Rho)z 0.2369750E-12 Laplacian 0.8668836E+00 (-1/4)Del**2(Rho)) -0.2167209E+00 Diamond 0.2762129E+01 Metallicity 0.6470023E+01 Ellipticity 0.2471972E-01 Gb(Abramov) 0.3781788E+00 Vb(Abramov) -0.5396367E+00 Hb(Abramov) -0.1614579E+00 Ex_ueg -0.9927834E-01 Ec_ueg -0.1320368E-01 Delta_ex -0.1024625E+00 Delta_ec 0.1928141E-01 Delta_et -0.2649282E+00 Pxc 0.7518993E+01 Qxc -0.5314059E+01 3,-1 160 3 -1 2.724297 -0.655777 -1.838804 Rho 0.1410052E+00 |GRAD(Rho)| 0.3123539E-15 GRAD(Rho)x -0.7102879E-16 GRAD(Rho)y -0.3668669E-16 GRAD(Rho)z 0.3019503E-15 Laplacian 0.5807711E+00 (-1/4)Del**2(Rho)) -0.1451928E+00 Diamond 0.1102491E+01 Metallicity 0.4532455E+01 Ellipticity 0.6503155E-02 Gb(Abramov) 0.2064752E+00 Vb(Abramov) -0.2677575E+00 Hb(Abramov) -0.6128237E-01 Ex_ueg -0.5420409E-01 Ec_ueg -0.7870229E-02 Delta_ex -0.6153843E-01 Delta_ec 0.1515106E-01 Delta_et -0.2002974E+00 Pxc 0.6887231E+01 Qxc -0.4061658E+01 3,-1 161 3 -1 -1.775563 -1.680839 -0.503045 Rho 0.4074847E-01 |GRAD(Rho)| 0.1584119E-14 GRAD(Rho)x -0.1083612E-14 GRAD(Rho)y 0.4943242E-15 GRAD(Rho)z -0.1044443E-14 Laplacian 0.1651937E+00 (-1/4)Del**2(Rho)) -0.4129842E-01 Diamond 0.6520083E-01 Metallicity 0.2012822E+01 Ellipticity 0.2289938E-01 Gb(Abramov) 0.4138667E-01 Vb(Abramov) -0.4147492E-01 Hb(Abramov) -0.8825433E-04 Ex_ueg -0.1035619E-01 Ec_ueg -0.1910258E-02 Delta_ex -0.1302130E-01 Delta_ec 0.5110666E-02 Delta_et -0.5106849E-01 Pxc 0.5421359E+01 Qxc -0.2547868E+01 3,-1 162 3 -1 -2.792033 -1.804180 0.586640 Rho 0.1355656E+00 |GRAD(Rho)| 0.5661569E-15 GRAD(Rho)x 0.6020710E-16 GRAD(Rho)y -0.2884249E-15 GRAD(Rho)z -0.4834457E-15 Laplacian 0.5688373E+00 (-1/4)Del**2(Rho)) -0.1422093E+00 Diamond 0.1005634E+01 Metallicity 0.4333856E+01 Ellipticity 0.2107651E-01 Gb(Abramov) 0.1975253E+00 Vb(Abramov) -0.2528414E+00 Hb(Abramov) -0.5531602E-01 Ex_ueg -0.5143411E-01 Ec_ueg -0.7526012E-02 Delta_ex -0.5942402E-01 Delta_ec 0.1448562E-01 Delta_et -0.1893602E+00 Pxc 0.6834179E+01 Qxc -0.4102277E+01 3,-1 163 3 -1 -0.059705 3.172825 -3.176565 Rho 0.2314513E+00 |GRAD(Rho)| 0.1622584E-13 GRAD(Rho)x 0.1092968E-13 GRAD(Rho)y -0.1199073E-13 GRAD(Rho)z -0.2052937E-15 Laplacian 0.8328699E+00 (-1/4)Del**2(Rho)) -0.2082175E+00 Diamond 0.2832377E+01 Metallicity 0.7218860E+01 Ellipticity 0.3341313E-03 Gb(Abramov) 0.3893271E+00 Vb(Abramov) -0.5704368E+00 Hb(Abramov) -0.1811097E+00 Ex_ueg -0.1049537E+00 Ec_ueg -0.1385017E-01 Delta_ex -0.9975100E-01 Delta_ec 0.1872130E-01 Delta_et -0.2594856E+00 Pxc 0.7577795E+01 Qxc -0.5328208E+01 3,-1 164 3 -1 0.596400 2.805266 1.812478 Rho 0.1506887E+00 |GRAD(Rho)| 0.1327365E-15 GRAD(Rho)x 0.1304160E-15 GRAD(Rho)y -0.2423869E-16 GRAD(Rho)z -0.4811147E-17 Laplacian 0.6265364E+00 (-1/4)Del**2(Rho)) -0.1566341E+00 Diamond 0.1260937E+01 Metallicity 0.4693188E+01 Ellipticity 0.2539434E-01 Gb(Abramov) 0.2269416E+00 Vb(Abramov) -0.2972491E+00 Hb(Abramov) -0.7030750E-01 Ex_ueg -0.5922329E-01 Ec_ueg -0.8487614E-02 Delta_ex -0.6720406E-01 Delta_ec 0.1560029E-01 Delta_et -0.2071565E+00 Pxc 0.6977614E+01 Qxc -0.4307872E+01 3,-1 165 3 -1 1.986904 2.984434 -0.833192 Rho 0.1486245E+00 |GRAD(Rho)| 0.9141018E-14 GRAD(Rho)x -0.3536356E-14 GRAD(Rho)y 0.4267040E-14 GRAD(Rho)z -0.7269440E-14 Laplacian 0.5867858E+00 (-1/4)Del**2(Rho)) -0.1466964E+00 Diamond 0.1181961E+01 Metallicity 0.4897233E+01 Ellipticity 0.3494977E-01 Gb(Abramov) 0.2175321E+00 Vb(Abramov) -0.2883677E+00 Hb(Abramov) -0.7083562E-01 Ex_ueg -0.5814407E-01 Ec_ueg -0.8355518E-02 Delta_ex -0.6293255E-01 Delta_ec 0.1502885E-01 Delta_et -0.2000487E+00 Pxc 0.6958763E+01 Qxc -0.4187450E+01 3,-1 166 3 -1 3.010955 1.983108 -0.833933 Rho 0.1862991E+00 |GRAD(Rho)| 0.1622494E-08 GRAD(Rho)x 0.6954816E-09 GRAD(Rho)y -0.9106068E-09 GRAD(Rho)z -0.1148733E-08 Laplacian 0.7291217E+00 (-1/4)Del**2(Rho)) -0.1822804E+00 Diamond 0.1908566E+01 Metallicity 0.5743339E+01 Ellipticity 0.4558198E-01 Gb(Abramov) 0.2960033E+00 Vb(Abramov) -0.4097262E+00 Hb(Abramov) -0.1137229E+00 Ex_ueg -0.7858376E-01 Ec_ueg -0.1080642E-01 Delta_ex -0.8258612E-01 Delta_ec 0.1738708E-01 Delta_et -0.2371716E+00 Pxc 0.7271951E+01 Qxc -0.4749856E+01 3,-1 167 3 -1 -3.012060 -2.014408 -0.853105 Rho 0.1424796E+00 |GRAD(Rho)| 0.4492160E-13 GRAD(Rho)x -0.1784579E-13 GRAD(Rho)y -0.1697970E-13 GRAD(Rho)z -0.3756550E-13 Laplacian 0.5597635E+00 (-1/4)Del**2(Rho)) -0.1399409E+00 Diamond 0.1059336E+01 Metallicity 0.4784789E+01 Ellipticity 0.7380798E-01 Gb(Abramov) 0.2048919E+00 Vb(Abramov) -0.2698428E+00 Hb(Abramov) -0.6495097E-01 Ex_ueg -0.5496106E-01 Ec_ueg -0.7963849E-02 Delta_ex -0.5928528E-01 Delta_ec 0.1424928E-01 Delta_et -0.1880036E+00 Pxc 0.6901319E+01 Qxc -0.4160581E+01 3,-1 168 3 -1 3.112574 -3.252106 -0.103306 Rho 0.2358195E+00 |GRAD(Rho)| 0.3068357E-15 GRAD(Rho)x 0.2758210E-15 GRAD(Rho)y -0.1236533E-15 GRAD(Rho)z -0.5273288E-16 Laplacian 0.8651324E+00 (-1/4)Del**2(Rho)) -0.2162831E+00 Diamond 0.2992973E+01 Metallicity 0.7169631E+01 Ellipticity 0.1350288E-01 Gb(Abramov) 0.4026337E+00 Vb(Abramov) -0.5889844E+00 Hb(Abramov) -0.1863506E+00 Ex_ueg -0.1076031E+00 Ec_ueg -0.1415061E-01 Delta_ex -0.1040326E+00 Delta_ec 0.1918442E-01 Delta_et -0.2654534E+00 Pxc 0.7604132E+01 Qxc -0.5422764E+01 3,-1 169 3 -1 0.860930 1.994403 -2.956793 Rho 0.1414435E+00 |GRAD(Rho)| 0.1762331E-11 GRAD(Rho)x -0.1301997E-11 GRAD(Rho)y 0.9394529E-12 GRAD(Rho)z 0.7266656E-12 Laplacian 0.5645221E+00 (-1/4)Del**2(Rho)) -0.1411305E+00 Diamond 0.1050039E+01 Metallicity 0.4687099E+01 Ellipticity 0.7200763E-01 Gb(Abramov) 0.2043358E+00 Vb(Abramov) -0.2675411E+00 Hb(Abramov) -0.6320528E-01 Ex_ueg -0.5442886E-01 Ec_ueg -0.7898048E-02 Delta_ex -0.5958596E-01 Delta_ec 0.1422351E-01 Delta_et -0.1870947E+00 Pxc 0.6891432E+01 Qxc -0.4189258E+01 3,-1 170 3 -1 0.575580 1.817193 2.776529 Rho 0.1465529E+00 |GRAD(Rho)| 0.6605030E-16 GRAD(Rho)x -0.5308525E-16 GRAD(Rho)y 0.5678509E-17 GRAD(Rho)z -0.3888898E-16 Laplacian 0.6060723E+00 (-1/4)Del**2(Rho)) -0.1515181E+00 Diamond 0.1176001E+01 Metallicity 0.4631759E+01 Ellipticity 0.2356994E-01 Gb(Abramov) 0.2179779E+00 Vb(Abramov) -0.2844378E+00 Hb(Abramov) -0.6645985E-01 Ex_ueg -0.5706601E-01 Ec_ueg -0.8223215E-02 Delta_ex -0.6452725E-01 Delta_ec 0.1512901E-01 Delta_et -0.1999855E+00 Pxc 0.6939623E+01 Qxc -0.4265134E+01 3,-1 171 3 -1 1.831986 2.793339 0.560858 Rho 0.1197860E+00 |GRAD(Rho)| 0.5292562E-15 GRAD(Rho)x 0.2439455E-17 GRAD(Rho)y 0.4405351E-15 GRAD(Rho)z 0.2933173E-15 Laplacian 0.5043526E+00 (-1/4)Del**2(Rho)) -0.1260881E+00 Diamond 0.7833910E+00 Metallicity 0.3977001E+01 Ellipticity 0.1452149E-01 Gb(Abramov) 0.1676342E+00 Vb(Abramov) -0.2091803E+00 Hb(Abramov) -0.4154607E-01 Ex_ueg -0.4361071E-01 Ec_ueg -0.6538482E-02 Delta_ex -0.5133732E-01 Delta_ec 0.1358974E-01 Delta_et -0.1747495E+00 Pxc 0.6669853E+01 Qxc -0.3777653E+01 3,-1 172 3 -1 -2.781685 1.767729 -0.561840 Rho 0.1879168E+00 |GRAD(Rho)| 0.1042899E-12 GRAD(Rho)x 0.7735093E-13 GRAD(Rho)y 0.6615026E-13 GRAD(Rho)z -0.2274537E-13 Laplacian 0.7704743E+00 (-1/4)Del**2(Rho)) -0.1926186E+00 Diamond 0.2019138E+01 Metallicity 0.5513970E+01 Ellipticity 0.1545593E-01 Gb(Abramov) 0.3054279E+00 Vb(Abramov) -0.4182372E+00 Hb(Abramov) -0.1128093E+00 Ex_ueg -0.7949489E-01 Ec_ueg -0.1091350E-01 Delta_ex -0.8732316E-01 Delta_ec 0.1808411E-01 Delta_et -0.2460970E+00 Pxc 0.7284086E+01 Qxc -0.4828724E+01 3,-1 173 3 -1 -2.087816 -0.894825 -3.237287 Rho 0.2331087E+00 |GRAD(Rho)| 0.5261584E-15 GRAD(Rho)x 0.2575522E-15 GRAD(Rho)y -0.2491497E-15 GRAD(Rho)z -0.3852712E-15 Laplacian 0.9015202E+00 (-1/4)Del**2(Rho)) -0.2253800E+00 Diamond 0.3034869E+01 Metallicity 0.6748935E+01 Ellipticity 0.1510067E-01 Gb(Abramov) 0.4037659E+00 Vb(Abramov) -0.5821517E+00 Hb(Abramov) -0.1783858E+00 Ex_ueg -0.1059570E+00 Ec_ueg -0.1396404E-01 Delta_ex -0.1078559E+00 Delta_ec 0.1965522E-01 Delta_et -0.2701216E+00 Pxc 0.7587849E+01 Qxc -0.5487390E+01 3,-1 174 3 -1 -1.809999 -0.556172 2.826172 Rho 0.1446310E+00 |GRAD(Rho)| 0.8025315E-15 GRAD(Rho)x -0.5561822E-15 GRAD(Rho)y 0.5783405E-15 GRAD(Rho)z -0.1550409E-16 Laplacian 0.6100617E+00 (-1/4)Del**2(Rho)) -0.1525154E+00 Diamond 0.1185679E+01 Metallicity 0.4501339E+01 Ellipticity 0.1547488E-01 Gb(Abramov) 0.2160975E+00 Vb(Abramov) -0.2796797E+00 Hb(Abramov) -0.6358212E-01 Ex_ueg -0.5607039E-01 Ec_ueg -0.8100711E-02 Delta_ex -0.6495644E-01 Delta_ec 0.1566253E-01 Delta_et -0.2075170E+00 Pxc 0.6921663E+01 Qxc -0.4147251E+01 3,-1 175 3 -1 -0.760006 -3.429347 -1.274670 Rho 0.3073215E+00 |GRAD(Rho)| 0.1557211E-12 GRAD(Rho)x -0.1203296E-12 GRAD(Rho)y 0.4958568E-13 GRAD(Rho)z -0.8550499E-13 Laplacian -0.1573271E+01 (-1/4)Del**2(Rho)) 0.3933179E+00 Diamond 0.5303846E+01 Metallicity -0.6130057E+01 Ellipticity 0.2385484E-02 Gb(Abramov) 0.1396316E+00 Vb(Abramov) -0.6725810E+00 Hb(Abramov) -0.5329494E+00 Ex_ueg -0.1531707E+00 Ec_ueg -0.1921714E-01 Delta_ex 0.1539469E+00 Delta_ec 0.5534704E-01 Delta_et -0.1290528E+01 Pxc 0.7970525E+01 Qxc 0.2781484E+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 75 123 64 136 124 138 137 69 120 157 71 154 150 115 169 144 163 151 170 164 152 118 117 125 92 159 93 88 168 158 155 171 166 165 148 110 172 111 129 113 53 161 162 135 167 149 156 141 108 131 106 173 104 130 107 174 134 103 105 99 126 87 95 146 98 79 160 147 128 139 97 91 63 114 75 175 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 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1.895069 1.948526 1.925059 1.740969 1.570178 1.545236 1.568694 1.573086 2.458727 1.911971 1.954955 1.921860 1.976214 1.730402 2.499369 1.900775 1.888008 2.023457 1.936438 1.734600 2.437154 1.931438 1.770667 2.147509 1.980770 1.750270 2.545973 1.939121 2.002352 1.839833 1.926958 1.742888 2.448247 1.829491 1.925407 1.977949 1.996600 1.747279 2.435047 1.929218 2.000312 1.919942 1.931841 1.730380 2.343167 2.166119 1.965011 1.978994 1.753736 1.755798 2.463305 1.962446 1.927009 1.925556 1.896992 1.740750 2.595521 1.937658 2.002131 1.848350 1.953198 1.732801 2.485551 1.937080 1.747942 2.171846 1.989424 1.753988 3.105664 3.123767 3.279621 1.714773 1.008439 27 26 23 26 23 20 22 21 22 22 27 27 26 24 26 21 29 25 23 27 25 27 27 27 23 29 25 23 29 25 24 23 23 21 27 22 25 25 26 24 27 25 23 23 23 22 27 26 23 23 21 24 29 23 23 23 26 20 29 25 25 22 23 21 29 25 22 27 23 22 33 33 35 23 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 W P Mo Mo W W W Mo W W 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 O O O O O O O O O O O O O O O O H 2.4502 2.2928 2.3100 2.3220 2.3831 2.4261 2.4392 2.3100 2.3765 2.4446 2.2980 2.3343 -1.0485 -0.9893 -1.0439 -1.0468 -0.9228 -0.9902 -0.9294 -0.9383 -0.7606 -0.9074 -0.9391 -0.9591 -0.9324 -0.9343 -0.9208 -0.8314 -0.8998 -0.9457 -0.9463 -0.9742 -0.9405 -0.9393 -0.9408 -0.7870 -0.7571 -0.9435 -0.9814 -0.9389 -0.7994 -0.8341 -0.7194 -0.7376 -0.8247 -0.8069 -0.8179 -0.7173 -0.8300 -0.8001 -0.7329 0.3222 2.0914 2.5119 1.9627 1.9604 2.1230 2.0979 2.0945 1.9881 2.1291 2.0935 1.9631 2.1338 1.8960 1.8996 1.8979 1.8945 1.9363 1.9310 1.9418 1.9354 1.9684 1.9397 1.9357 1.9323 1.9351 1.9344 1.9392 1.9625 1.9517 1.9437 1.9470 1.9421 1.9421 1.9437 1.9428 1.9601 1.8789 1.9436 1.9412 1.9417 1.9645 1.9590 1.9760 1.9735 1.9604 1.9634 1.9616 1.9755 1.9575 1.9645 1.9747 0.5227 6.0999 7.3714 6.0875 6.0749 6.1118 6.1017 6.0982 6.0823 6.1008 6.1015 6.0871 6.1208 5.1137 5.0503 5.1074 5.1132 4.9594 5.0294 4.9576 4.9753 4.7562 4.9424 4.9758 4.9965 4.9692 4.9713 4.9540 4.8354 4.9198 4.9722 4.9686 5.0000 4.9689 4.9660 4.9680 4.7934 4.8498 4.9721 5.0082 4.9674 4.7997 4.8420 4.7103 4.7316 4.8305 4.8086 4.8222 4.7088 4.8395 4.8004 4.7253 0.1551 3.3287 0.8239 3.6397 3.6427 3.3533 3.3451 3.3385 3.6197 3.3651 3.3308 3.6517 3.3828 0.0388 0.0394 0.0387 0.0391 0.0271 0.0299 0.0301 0.0277 0.0360 0.0253 0.0276 0.0302 0.0280 0.0286 0.0277 0.0335 0.0282 0.0298 0.0307 0.0320 0.0295 0.0296 0.0300 0.0335 0.0284 0.0277 0.0320 0.0298 0.0352 0.0331 0.0332 0.0324 0.0337 0.0350 0.0341 0.0331 0.0329 0.0352 0.0329 0.0000 14.0297 0.0000 0.0000 0.0000 14.0287 14.0292 14.0296 0.0000 14.0286 14.0295 0.0000 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 W P Mo Mo W W W Mo W W 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 O O O O O O O O O O O O O O O O H 2.514744 2.004383 3.180489 3.177592 2.483316 2.501748 2.500166 3.189422 2.498013 2.511309 3.171465 2.468848 -1.054358 -1.017771 -1.062976 -1.066170 -1.078265 -0.977918 -0.949332 -1.082954 -0.822710 -1.192199 -1.082790 -0.961814 -1.078168 -1.060338 -1.090335 -0.791657 -1.080805 -1.070340 -0.948505 -0.956038 -1.069469 -1.072679 -1.050079 -0.836162 -0.728727 -1.081103 -0.958469 -1.061657 -0.833645 -0.879238 -0.990065 -1.010252 -0.867217 -0.843239 -0.857759 -0.986355 -0.873651 -0.834386 -1.004609 0.062711 1.944389 1.577275 2.367177 2.367793 1.925073 1.951199 1.936952 2.356802 1.956186 1.946306 2.364753 1.932890 -0.778733 -0.759800 -0.790926 -0.797243 -0.813046 -0.719756 -0.736309 -0.820343 -0.708835 -0.930306 -0.814306 -0.719353 -0.821943 -0.812676 -0.836330 -0.661035 -0.882832 -0.852537 -0.793348 -0.780848 -0.861405 -0.865343 -0.866070 -0.735210 -0.858792 -0.880076 -0.779122 -0.861325 -0.732629 -0.786233 -0.771872 -0.790962 -0.771686 -0.736902 -0.756141 -0.754036 -0.783072 -0.731369 -0.783364 0.309322 2.050094 1.546019 2.461452 2.458188 2.012976 2.052541 2.037491 2.502890 2.044374 2.049788 2.456919 2.017437 -0.827350 -0.826079 -0.839334 -0.844700 -0.900712 -0.800652 -0.799338 -0.914120 -0.719226 -1.000921 -0.907526 -0.794229 -0.894256 -0.932045 -0.908891 -0.739426 -0.909645 -0.899558 -0.821587 -0.822760 -0.896966 -0.915970 -0.897746 -0.723833 -0.913359 -0.923008 -0.830682 -0.893588 -0.692357 -0.756612 -0.733596 -0.753032 -0.735807 -0.701545 -0.719712 -0.740753 -0.762302 -0.694910 -0.747667 0.445631 0.12829993 -0.46118541 2.81871958 2.85907903 -16.80017685 7.73824340 0.59815411 14.37482789 6.01321575 2.42534896 -365.6251 401.2460 -63.4934 -382.0804 -42.8555 -452.8084 Apr30-2024 12:06:40 Nodes: 1 Procs: 1 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 0 Apr30-2024 12:06:41 Nodes: 1 Procs: 1 Apr30-2024 12:06:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Apr30-2024 12:06:43 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr30-2024 12:06:44 Nodes: 1 Procs: 1 Apr30-2024 12:06:45 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr30-2024 12:06:47 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -15.96201592 -16.40628034 -16.17408245 -16.42612098 -16.55894258 -16.59229863 -16.60821054 -16.61329077 -16.61831509 -16.62399367 -16.62914199 -16.63036646 -16.63644251 -16.63859227 -16.63913846 -16.63963289 -16.63981836 -16.64000118 -16.64008550 -16.64020932 -16.64027167 -16.64032236 -16.64036613 -16.64038245 -16.64039128 -16.64040203 GEOMETRY CONVERGED