ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:03:57 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.66 0.04 0.74 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 Apr28-2024 16:03:57 Nodes: 1 Procs: 1 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:03:58 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr28-2024 16:03:57 Nodes: 1 Procs: 1 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 0 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:03:59 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.43 0.01 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr28-2024 16:03:57 Nodes: 1 Procs: 1 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 0 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Apr28-2024 16:04:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:04:00 Molybdenum (TZP, 3d frozen) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.20 0.03 1.27 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 Apr28-2024 16:03:57 Nodes: 1 Procs: 1 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 0 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Apr28-2024 16:04:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 16:04:00 Nodes: 1 Procs: 1 Apr28-2024 16:04:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 16:04:03 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2498.5021000000033 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-3.812270 -2.236552 -2.766519 -3.741580 2.526695 2.808247 3.724903 2.872028 2.513911 1 3 -3 0.126798 0.016447 3.520279 Rho 0.4361414E+07 3,-3 2 3 -3 0.126798 0.016447 -3.520279 Rho 0.4361414E+07 3,-3 3 3 -3 -0.141561 3.560558 0.000000 Rho 0.4361415E+07 3,-3 4 3 -3 2.467377 -1.818649 1.838982 Rho 0.4361415E+07 3,-3 5 3 -3 2.572768 1.713907 -1.873841 Rho 0.4361415E+07 3,-3 6 3 -3 -2.437687 -2.079311 1.661127 Rho 0.4361415E+07 3,-3 7 3 -3 -2.437687 -2.079311 -1.661127 Rho 0.4361415E+07 3,-3 8 3 -3 2.572768 1.713907 1.873841 Rho 0.4361415E+07 3,-3 9 3 -3 2.467377 -1.818649 -1.838982 Rho 0.4361415E+07 3,-3 10 3 -3 -0.073441 -0.056498 0.000000 Rho 0.1943327E+04 3,-3 11 3 -3 -2.567149 1.839430 -1.700295 Rho 0.1240650E+06 3,-3 12 3 -3 -2.567149 1.839430 1.700295 Rho 0.1240650E+06 3,-3 13 3 -3 0.921272 -0.078162 1.336290 Rho 0.3186820E+03 3,-3 14 3 -3 -1.109141 -1.341500 0.000000 Rho 0.3186367E+03 3,-3 15 3 -3 0.921272 -0.078162 -1.336290 Rho 0.3186820E+03 3,-3 16 3 -3 -0.945788 1.355287 0.000000 Rho 0.3186785E+03 3,-3 17 3 -3 -3.023382 0.095010 1.585535 Rho 0.3191706E+03 3,-3 18 3 -3 3.017602 -1.564687 0.000000 Rho 0.3188167E+03 3,-3 19 3 -3 -3.023382 0.095010 -1.585535 Rho 0.3191706E+03 3,-3 20 3 -3 3.065487 1.701541 0.000000 Rho 0.3188445E+03 3,-3 21 3 -3 1.350817 -3.128521 -1.513251 Rho 0.3193146E+03 3,-3 22 3 -3 1.137507 2.902738 1.306833 Rho 0.3188729E+03 3,-3 23 3 -3 -1.122552 -1.294734 -2.877560 Rho 0.3188335E+03 3,-3 24 3 -3 -1.123081 1.356797 2.938003 Rho 0.3189280E+03 3,-3 25 3 -3 -1.123081 1.356797 -2.938003 Rho 0.3189280E+03 3,-3 26 3 -3 -1.122552 -1.294734 2.877560 Rho 0.3188335E+03 3,-3 27 3 -3 1.137507 2.902738 -1.306833 Rho 0.3188729E+03 3,-3 28 3 -3 1.350817 -3.128521 1.513251 Rho 0.3193146E+03 3,-3 29 3 -3 3.442353 0.103154 2.151804 Rho 0.3190182E+03 3,-3 30 3 -3 -3.456646 -2.217226 0.000000 Rho 0.3189023E+03 3,-3 31 3 -3 3.442353 0.103154 -2.151804 Rho 0.3190182E+03 3,-3 32 3 -3 -3.436276 2.291703 0.000000 Rho 0.3190419E+03 3,-3 33 3 -3 1.502636 1.394806 3.486915 Rho 0.3189218E+03 3,-3 34 3 -3 1.550925 -1.295859 -3.522090 Rho 0.3189225E+03 3,-3 35 3 -3 -1.482352 3.539752 1.358832 Rho 0.3189994E+03 3,-3 36 3 -3 -1.795181 -3.713790 -1.684064 Rho 0.3192436E+03 3,-3 37 3 -3 -1.795181 -3.713790 1.684064 Rho 0.3192436E+03 3,-3 38 3 -3 -1.482352 3.539752 -1.358832 Rho 0.3189994E+03 3,-3 39 3 -3 1.550925 -1.295859 3.522090 Rho 0.3189225E+03 3,-3 40 3 -3 1.502636 1.394806 -3.486915 Rho 0.3189218E+03 3,-3 41 3 -3 -0.220442 0.001658 5.240886 Rho 0.3192503E+03 3,-3 42 3 -3 3.870779 -2.657109 -2.511642 Rho 0.3191906E+03 3,-3 43 3 -3 -0.220442 0.001658 -5.240886 Rho 0.3192503E+03 3,-3 44 3 -3 0.254049 5.276150 0.000000 Rho 0.3192210E+03 3,-3 45 3 -3 3.870779 -2.657109 2.511642 Rho 0.3191906E+03 3,-3 46 3 -3 3.724903 2.872028 -2.513911 Rho 0.3192365E+03 3,-3 47 3 -3 -3.741580 2.526695 -2.808247 Rho 0.3193430E+03 3,-3 48 3 -3 -3.812270 -2.236552 2.766519 Rho 0.3191935E+03 3,-3 49 3 -3 -3.812270 -2.236552 -2.766519 Rho 0.3191935E+03 3,-3 50 3 -3 -3.741580 2.526695 2.808247 Rho 0.3193430E+03 3,-3 51 3 -3 3.724903 2.872028 2.513911 Rho 0.3192365E+03 3,-3 52 3 +1 -1.751131 0.021312 -2.423018 Rho 0.1123609E-01 |GRAD(Rho)| 0.8983399E-14 GRAD(Rho)x -0.3704174E-14 GRAD(Rho)y 0.7610564E-14 GRAD(Rho)z 0.3009962E-14 Laplacian 0.5449688E-01 (-1/4)Del**2(Rho)) -0.1362422E-01 Diamond 0.2026674E-02 Metallicity 0.7127443E+00 Ellipticity -0.1286631E+01 Gb(Abramov) 0.1070124E-01 Vb(Abramov) -0.7778268E-02 Hb(Abramov) 0.2922976E-02 Ex_ueg -0.1858684E-02 Ec_ueg -0.4244202E-03 Delta_ex -0.2642660E-02 Delta_ec 0.7249650E-03 Delta_et -0.5335030E-02 Pxc 0.4379348E+01 Qxc -0.3645224E+01 3,+1 53 3 +3 -2.363265 0.040559 0.000000 Rho 0.5276717E-02 |GRAD(Rho)| 0.3337193E-17 GRAD(Rho)x -0.1739695E-17 GRAD(Rho)y -0.2667668E-17 GRAD(Rho)z -0.9969267E-18 Laplacian 0.2206242E-01 (-1/4)Del**2(Rho)) -0.5515606E-02 Diamond 0.2336744E-03 Metallicity 0.4995354E+00 Ellipticity -0.5509931E+00 Gb(Abramov) 0.4136277E-02 Vb(Abramov) -0.2756949E-02 Hb(Abramov) 0.1379329E-02 Ex_ueg -0.6784796E-03 Ec_ueg -0.1588404E-03 Delta_ex -0.8323404E-03 Delta_ec 0.2017999E-03 Delta_et -0.1311840E-02 Pxc 0.4271454E+01 Qxc -0.4124583E+01 3,+3 54 3 +1 -1.751131 0.021312 2.423018 Rho 0.1123609E-01 |GRAD(Rho)| 0.1304260E-14 GRAD(Rho)x -0.5829395E-15 GRAD(Rho)y 0.1108985E-14 GRAD(Rho)z -0.3625305E-15 Laplacian 0.5449688E-01 (-1/4)Del**2(Rho)) -0.1362422E-01 Diamond 0.2026674E-02 Metallicity 0.7127443E+00 Ellipticity -0.1286631E+01 Gb(Abramov) 0.1070124E-01 Vb(Abramov) -0.7778268E-02 Hb(Abramov) 0.2922976E-02 Ex_ueg -0.1858684E-02 Ec_ueg -0.4244202E-03 Delta_ex -0.2642660E-02 Delta_ec 0.7249650E-03 Delta_et -0.5335030E-02 Pxc 0.4379348E+01 Qxc -0.3645224E+01 3,+1 55 3 -1 -1.800536 1.576272 -2.340662 Rho 0.1252181E+00 |GRAD(Rho)| 0.1543564E-15 GRAD(Rho)x -0.5464379E-16 GRAD(Rho)y 0.7298036E-16 GRAD(Rho)z -0.1245545E-15 Laplacian 0.5179176E+00 (-1/4)Del**2(Rho)) -0.1294794E+00 Diamond 0.8432391E+00 Metallicity 0.4169951E+01 Ellipticity 0.8831325E-02 Gb(Abramov) 0.1763067E+00 Vb(Abramov) -0.2231341E+00 Hb(Abramov) -0.4682733E-01 Ex_ueg -0.4626734E-01 Ec_ueg -0.6876544E-02 Delta_ex -0.5321253E-01 Delta_ec 0.1369159E-01 Delta_et -0.1772018E+00 Pxc 0.6728284E+01 Qxc -0.3886513E+01 3,-1 56 3 +1 2.176556 -0.164217 -1.729675 Rho 0.2471423E-01 |GRAD(Rho)| 0.2790276E-16 GRAD(Rho)x 0.1795040E-16 GRAD(Rho)y -0.1966787E-16 GRAD(Rho)z -0.8337986E-17 Laplacian 0.9327078E-01 (-1/4)Del**2(Rho)) -0.2331769E-01 Diamond 0.1145368E-01 Metallicity 0.1549218E+01 Ellipticity -0.3260441E+01 Gb(Abramov) 0.2156583E-01 Vb(Abramov) -0.1981397E-01 Hb(Abramov) 0.1751865E-02 Ex_ueg -0.5316769E-02 Ec_ueg -0.1074337E-02 Delta_ex -0.5722110E-02 Delta_ec 0.1473738E-02 Delta_et -0.1299855E-01 Pxc 0.4948885E+01 Qxc -0.3882719E+01 3,+1 57 3 -1 -1.727354 1.576384 -0.834715 Rho 0.4621044E-01 |GRAD(Rho)| 0.4490687E-15 GRAD(Rho)x -0.3201579E-15 GRAD(Rho)y 0.9780414E-16 GRAD(Rho)z -0.2993258E-15 Laplacian 0.1786968E+00 (-1/4)Del**2(Rho)) -0.4467421E-01 Diamond 0.8128742E-01 Metallicity 0.2294721E+01 Ellipticity 0.1585790E-01 Gb(Abramov) 0.4686861E-01 Vb(Abramov) -0.4906301E-01 Hb(Abramov) -0.2194401E-02 Ex_ueg -0.1224725E-01 Ec_ueg -0.2206497E-02 Delta_ex -0.1441625E-01 Delta_ec 0.5319471E-02 Delta_et -0.5494148E-01 Pxc 0.5550539E+01 Qxc -0.2710091E+01 3,-1 58 3 +1 -2.184596 1.780524 0.000000 Rho 0.2553822E-01 |GRAD(Rho)| 0.3993112E-16 GRAD(Rho)x -0.3305308E-16 GRAD(Rho)y 0.2056087E-16 GRAD(Rho)z 0.8901649E-17 Laplacian 0.9644559E-01 (-1/4)Del**2(Rho)) -0.2411140E-01 Diamond 0.1302777E-01 Metallicity 0.1582396E+01 Ellipticity -0.4731289E+01 Gb(Abramov) 0.2243323E-01 Vb(Abramov) -0.2075506E-01 Hb(Abramov) 0.1678170E-02 Ex_ueg -0.5554427E-02 Ec_ueg -0.1115851E-02 Delta_ex -0.6036691E-02 Delta_ec 0.1643840E-02 Delta_et -0.1458459E-01 Pxc 0.4977750E+01 Qxc -0.3672309E+01 3,+1 59 3 -1 -1.727354 1.576384 0.834715 Rho 0.4621044E-01 |GRAD(Rho)| 0.5186027E-15 GRAD(Rho)x -0.3532570E-15 GRAD(Rho)y 0.1007433E-15 GRAD(Rho)z 0.3660724E-15 Laplacian 0.1786968E+00 (-1/4)Del**2(Rho)) -0.4467421E-01 Diamond 0.8128742E-01 Metallicity 0.2294721E+01 Ellipticity 0.1585790E-01 Gb(Abramov) 0.4686861E-01 Vb(Abramov) -0.4906301E-01 Hb(Abramov) -0.2194401E-02 Ex_ueg -0.1224725E-01 Ec_ueg -0.2206497E-02 Delta_ex -0.1441625E-01 Delta_ec 0.5319471E-02 Delta_et -0.5494148E-01 Pxc 0.5550539E+01 Qxc -0.2710091E+01 3,-1 60 3 +1 2.176556 -0.164217 1.729675 Rho 0.2471423E-01 |GRAD(Rho)| 0.1363000E-16 GRAD(Rho)x -0.3461102E-17 GRAD(Rho)y -0.1250598E-16 GRAD(Rho)z 0.4171096E-17 Laplacian 0.9327078E-01 (-1/4)Del**2(Rho)) -0.2331769E-01 Diamond 0.1145368E-01 Metallicity 0.1549218E+01 Ellipticity -0.3260441E+01 Gb(Abramov) 0.2156583E-01 Vb(Abramov) -0.1981397E-01 Hb(Abramov) 0.1751865E-02 Ex_ueg -0.5316769E-02 Ec_ueg -0.1074337E-02 Delta_ex -0.5722110E-02 Delta_ec 0.1473738E-02 Delta_et -0.1299855E-01 Pxc 0.4948885E+01 Qxc -0.3882719E+01 3,+1 61 3 -1 -1.800536 1.576272 2.340662 Rho 0.1252181E+00 |GRAD(Rho)| 0.7605058E-16 GRAD(Rho)x -0.1498910E-16 GRAD(Rho)y 0.6952446E-17 GRAD(Rho)z -0.7423397E-16 Laplacian 0.5179176E+00 (-1/4)Del**2(Rho)) -0.1294794E+00 Diamond 0.8432391E+00 Metallicity 0.4169951E+01 Ellipticity 0.8831325E-02 Gb(Abramov) 0.1763067E+00 Vb(Abramov) -0.2231341E+00 Hb(Abramov) -0.4682733E-01 Ex_ueg -0.4626734E-01 Ec_ueg -0.6876544E-02 Delta_ex -0.5321253E-01 Delta_ec 0.1369159E-01 Delta_et -0.1772018E+00 Pxc 0.6728284E+01 Qxc -0.3886513E+01 3,-1 62 3 +1 -0.225696 2.247954 -1.921796 Rho 0.6059815E-02 |GRAD(Rho)| 0.2019205E-13 GRAD(Rho)x -0.1995794E-13 GRAD(Rho)y -0.3058929E-14 GRAD(Rho)z 0.2056615E-15 Laplacian 0.2560957E-01 (-1/4)Del**2(Rho)) -0.6402393E-02 Diamond 0.6575496E-03 Metallicity 0.5419715E+00 Ellipticity -0.1898627E+01 Gb(Abramov) 0.4846581E-02 Vb(Abramov) -0.3290769E-02 Hb(Abramov) 0.1555812E-02 Ex_ueg -0.8159513E-03 Ec_ueg -0.1928023E-03 Delta_ex -0.1238813E-02 Delta_ec 0.6577127E-03 Delta_et -0.3842340E-02 Pxc 0.4232063E+01 Qxc -0.1883518E+01 3,+1 63 3 +1 -1.357644 2.323693 -0.772322 Rho 0.2655857E-01 |GRAD(Rho)| 0.4969998E-16 GRAD(Rho)x 0.6320569E-17 GRAD(Rho)y -0.4324201E-16 GRAD(Rho)z 0.2366996E-16 Laplacian 0.1008885E+00 (-1/4)Del**2(Rho)) -0.2522212E-01 Diamond 0.1276805E-01 Metallicity 0.1614777E+01 Ellipticity -0.2700559E+01 Gb(Abramov) 0.2360277E-01 Vb(Abramov) -0.2198341E-01 Hb(Abramov) 0.1619356E-02 Ex_ueg -0.5852273E-02 Ec_ueg -0.1167501E-02 Delta_ex -0.6219505E-02 Delta_ec 0.1430635E-02 Delta_et -0.1286858E-01 Pxc 0.5012648E+01 Qxc -0.4347375E+01 3,+1 64 3 +1 -1.357644 2.323693 0.772322 Rho 0.2655857E-01 |GRAD(Rho)| 0.3304451E-16 GRAD(Rho)x 0.2472410E-16 GRAD(Rho)y 0.5255930E-17 GRAD(Rho)z -0.2128459E-16 Laplacian 0.1008885E+00 (-1/4)Del**2(Rho)) -0.2522212E-01 Diamond 0.1276805E-01 Metallicity 0.1614777E+01 Ellipticity -0.2700559E+01 Gb(Abramov) 0.2360277E-01 Vb(Abramov) -0.2198341E-01 Hb(Abramov) 0.1619356E-02 Ex_ueg -0.5852273E-02 Ec_ueg -0.1167501E-02 Delta_ex -0.6219505E-02 Delta_ec 0.1430635E-02 Delta_et -0.1286858E-01 Pxc 0.5012648E+01 Qxc -0.4347375E+01 3,+1 65 3 +1 -0.225696 2.247954 1.921796 Rho 0.6059815E-02 |GRAD(Rho)| 0.1660314E-16 GRAD(Rho)x 0.5074076E-17 GRAD(Rho)y 0.1297182E-16 GRAD(Rho)z -0.9036027E-17 Laplacian 0.2560957E-01 (-1/4)Del**2(Rho)) -0.6402393E-02 Diamond 0.6575496E-03 Metallicity 0.5419715E+00 Ellipticity -0.1898627E+01 Gb(Abramov) 0.4846581E-02 Vb(Abramov) -0.3290769E-02 Hb(Abramov) 0.1555812E-02 Ex_ueg -0.8159513E-03 Ec_ueg -0.1928023E-03 Delta_ex -0.1238813E-02 Delta_ec 0.6577127E-03 Delta_et -0.3842340E-02 Pxc 0.4232063E+01 Qxc -0.1883518E+01 3,+1 66 3 +1 -0.529852 0.807335 -1.548992 Rho 0.8742944E-02 |GRAD(Rho)| 0.1663426E-16 GRAD(Rho)x 0.8972891E-18 GRAD(Rho)y 0.1516816E-16 GRAD(Rho)z 0.6769082E-17 Laplacian 0.3445358E-01 (-1/4)Del**2(Rho)) -0.8613394E-02 Diamond 0.9081765E-03 Metallicity 0.7421215E+00 Ellipticity -0.1401316E+01 Gb(Abramov) 0.6807627E-02 Vb(Abramov) -0.5001860E-02 Hb(Abramov) 0.1805767E-02 Ex_ueg -0.1330236E-02 Ec_ueg -0.3113803E-03 Delta_ex -0.1565223E-02 Delta_ec 0.4574331E-03 Delta_et -0.3161942E-02 Pxc 0.4272061E+01 Qxc -0.3421752E+01 3,+1 67 3 +3 -1.943855 2.778728 -0.000000 Rho 0.1230337E-01 |GRAD(Rho)| 0.1805741E-16 GRAD(Rho)x 0.8504488E-17 GRAD(Rho)y 0.9705088E-17 GRAD(Rho)z -0.1263150E-16 Laplacian 0.5495643E-01 (-1/4)Del**2(Rho)) -0.1373911E-01 Diamond 0.1420400E-02 Metallicity 0.8221825E+00 Ellipticity -0.8968322E+00 Gb(Abramov) 0.1104208E-01 Vb(Abramov) -0.8345054E-02 Hb(Abramov) 0.2697027E-02 Ex_ueg -0.2097735E-02 Ec_ueg -0.4735918E-03 Delta_ex -0.2479272E-02 Delta_ec 0.2849328E-03 Delta_et -0.2474365E-02 Pxc 0.4429416E+01 Qxc -0.8701252E+01 3,+3 68 3 +1 -0.529852 0.807335 1.548992 Rho 0.8742944E-02 |GRAD(Rho)| 0.1591221E-16 GRAD(Rho)x 0.4199961E-18 GRAD(Rho)y 0.1246750E-16 GRAD(Rho)z 0.9878427E-17 Laplacian 0.3445358E-01 (-1/4)Del**2(Rho)) -0.8613394E-02 Diamond 0.9081765E-03 Metallicity 0.7421215E+00 Ellipticity -0.1401316E+01 Gb(Abramov) 0.6807627E-02 Vb(Abramov) -0.5001860E-02 Hb(Abramov) 0.1805767E-02 Ex_ueg -0.1330236E-02 Ec_ueg -0.3113803E-03 Delta_ex -0.1565223E-02 Delta_ec 0.4574331E-03 Delta_et -0.3161942E-02 Pxc 0.4272061E+01 Qxc -0.3421752E+01 3,+1 69 3 +1 -0.570590 -0.841100 -1.488771 Rho 0.9815699E-02 |GRAD(Rho)| 0.1296030E-16 GRAD(Rho)x 0.1262812E-16 GRAD(Rho)y -0.1922194E-17 GRAD(Rho)z 0.2192071E-17 Laplacian 0.4024483E-01 (-1/4)Del**2(Rho)) -0.1006121E-01 Diamond 0.1258874E-02 Metallicity 0.7704985E+00 Ellipticity -0.1418828E+01 Gb(Abramov) 0.7999496E-02 Vb(Abramov) -0.5937785E-02 Hb(Abramov) 0.2061712E-02 Ex_ueg -0.1552197E-02 Ec_ueg -0.3596970E-03 Delta_ex -0.1889785E-02 Delta_ec 0.5453937E-03 Delta_et -0.3872304E-02 Pxc 0.4315290E+01 Qxc -0.3464993E+01 3,+1 70 3 +1 -0.570590 -0.841100 1.488771 Rho 0.9815699E-02 |GRAD(Rho)| 0.9554492E-17 GRAD(Rho)x 0.3795937E-17 GRAD(Rho)y -0.7908961E-17 GRAD(Rho)z 0.3785170E-17 Laplacian 0.4024483E-01 (-1/4)Del**2(Rho)) -0.1006121E-01 Diamond 0.1258874E-02 Metallicity 0.7704985E+00 Ellipticity -0.1418828E+01 Gb(Abramov) 0.7999496E-02 Vb(Abramov) -0.5937785E-02 Hb(Abramov) 0.2061712E-02 Ex_ueg -0.1552197E-02 Ec_ueg -0.3596970E-03 Delta_ex -0.1889785E-02 Delta_ec 0.5453937E-03 Delta_et -0.3872304E-02 Pxc 0.4315290E+01 Qxc -0.3464993E+01 3,+1 71 3 +1 1.701497 0.732827 -0.000000 Rho 0.6997278E-02 |GRAD(Rho)| 0.6685770E-17 GRAD(Rho)x -0.2789427E-17 GRAD(Rho)y 0.5337794E-17 GRAD(Rho)z -0.2902854E-17 Laplacian 0.2720471E-01 (-1/4)Del**2(Rho)) -0.6801179E-02 Diamond 0.5537790E-03 Metallicity 0.6484117E+00 Ellipticity -0.1378320E+01 Gb(Abramov) 0.5269113E-02 Vb(Abramov) -0.3737047E-02 Hb(Abramov) 0.1532066E-02 Ex_ueg -0.9884557E-03 Ec_ueg -0.2338511E-03 Delta_ex -0.1182504E-02 Delta_ec 0.3869600E-03 Delta_et -0.2503813E-02 Pxc 0.4226860E+01 Qxc -0.3055882E+01 3,+1 72 3 +1 0.522947 1.489598 0.849461 Rho 0.8443624E-02 |GRAD(Rho)| 0.1559892E-16 GRAD(Rho)x -0.1171424E-16 GRAD(Rho)y -0.7999940E-17 GRAD(Rho)z -0.6488749E-17 Laplacian 0.3384795E-01 (-1/4)Del**2(Rho)) -0.8461987E-02 Diamond 0.8733460E-03 Metallicity 0.7127911E+00 Ellipticity -0.1398114E+01 Gb(Abramov) 0.6646596E-02 Vb(Abramov) -0.4831205E-02 Hb(Abramov) 0.1815391E-02 Ex_ueg -0.1269863E-02 Ec_ueg -0.2979889E-03 Delta_ex -0.1534483E-02 Delta_ec 0.4679706E-03 Delta_et -0.3190294E-02 Pxc 0.4261445E+01 Qxc -0.3279015E+01 3,+1 73 3 +1 0.522947 1.489598 -0.849461 Rho 0.8443624E-02 |GRAD(Rho)| 0.8273482E-17 GRAD(Rho)x -0.2623334E-17 GRAD(Rho)y -0.7578750E-17 GRAD(Rho)z 0.2032529E-17 Laplacian 0.3384795E-01 (-1/4)Del**2(Rho)) -0.8461987E-02 Diamond 0.8733460E-03 Metallicity 0.7127911E+00 Ellipticity -0.1398114E+01 Gb(Abramov) 0.6646596E-02 Vb(Abramov) -0.4831205E-02 Hb(Abramov) 0.1815391E-02 Ex_ueg -0.1269863E-02 Ec_ueg -0.2979889E-03 Delta_ex -0.1534483E-02 Delta_ec 0.4679706E-03 Delta_et -0.3190294E-02 Pxc 0.4261445E+01 Qxc -0.3279015E+01 3,+1 74 3 -1 -0.536174 2.410997 0.000000 Rho 0.5401485E-01 |GRAD(Rho)| 0.1337981E-12 GRAD(Rho)x 0.1830659E-13 GRAD(Rho)y 0.1325398E-12 GRAD(Rho)z 0.4808348E-18 Laplacian 0.2085809E+00 (-1/4)Del**2(Rho)) -0.5214522E-01 Diamond 0.1153829E+00 Metallicity 0.2549924E+01 Ellipticity 0.9382497E-02 Gb(Abramov) 0.5692454E-01 Vb(Abramov) -0.6170386E-01 Hb(Abramov) -0.4779321E-02 Ex_ueg -0.1508004E-01 Ec_ueg -0.2637973E-02 Delta_ex -0.1742689E-01 Delta_ec 0.6068359E-02 Delta_et -0.6523446E-01 Pxc 0.5716528E+01 Qxc -0.2871763E+01 3,-1 75 3 -1 0.070868 4.485728 -0.000000 Rho 0.2290549E+00 |GRAD(Rho)| 0.3845535E-13 GRAD(Rho)x 0.3344211E-13 GRAD(Rho)y 0.1898525E-13 GRAD(Rho)z 0.1892016E-17 Laplacian 0.8622095E+00 (-1/4)Del**2(Rho)) -0.2155524E+00 Diamond 0.2870923E+01 Metallicity 0.6853298E+01 Ellipticity 0.6476295E-03 Gb(Abramov) 0.3899090E+00 Vb(Abramov) -0.5642656E+00 Hb(Abramov) -0.1743566E+00 Ex_ueg -0.1035073E+00 Ec_ueg -0.1368579E-01 Delta_ex -0.1028461E+00 Delta_ec 0.1918910E-01 Delta_et -0.2648032E+00 Pxc 0.7563124E+01 Qxc -0.5359608E+01 3,-1 76 3 +3 1.133501 1.465305 -0.000000 Rho 0.4519853E-02 |GRAD(Rho)| 0.6200359E-17 GRAD(Rho)x 0.3039130E-17 GRAD(Rho)y -0.2943857E-17 GRAD(Rho)z -0.4532312E-17 Laplacian 0.1786403E-01 (-1/4)Del**2(Rho)) -0.4466006E-02 Diamond 0.1136189E-03 Metallicity 0.4766223E+00 Ellipticity -0.1375225E+00 Gb(Abramov) 0.3332104E-02 Vb(Abramov) -0.2198202E-02 Hb(Abramov) 0.1133902E-02 Ex_ueg -0.5519302E-03 Ec_ueg -0.1263090E-03 Delta_ex -0.6054642E-03 Delta_ec 0.8811236E-04 Delta_et -0.6579167E-03 Pxc 0.4369682E+01 Qxc -0.6871501E+01 3,+3 77 3 -1 0.859267 0.744788 3.483323 Rho 0.1413281E+00 |GRAD(Rho)| 0.1284719E-13 GRAD(Rho)x -0.9191866E-14 GRAD(Rho)y -0.8783962E-14 GRAD(Rho)z 0.1844428E-14 Laplacian 0.5564228E+00 (-1/4)Del**2(Rho)) -0.1391057E+00 Diamond 0.1052938E+01 Metallicity 0.4748858E+01 Ellipticity 0.4594649E-01 Gb(Abramov) 0.2028360E+00 Vb(Abramov) -0.2665663E+00 Hb(Abramov) -0.6373029E-01 Ex_ueg -0.5436964E-01 Ec_ueg -0.7890720E-02 Delta_ex -0.5892401E-01 Delta_ec 0.1438770E-01 Delta_et -0.1900213E+00 Pxc 0.6890327E+01 Qxc -0.4095443E+01 3,-1 78 3 +1 1.339051 0.738333 2.284437 Rho 0.2575956E-01 |GRAD(Rho)| 0.3033998E-16 GRAD(Rho)x -0.8492144E-17 GRAD(Rho)y -0.2783887E-16 GRAD(Rho)z -0.8567098E-17 Laplacian 0.9398537E-01 (-1/4)Del**2(Rho)) -0.2349634E-01 Diamond 0.1131772E-01 Metallicity 0.1647341E+01 Ellipticity -0.2856097E+01 Gb(Abramov) 0.2211531E-01 Vb(Abramov) -0.2073428E-01 Hb(Abramov) 0.1381031E-02 Ex_ueg -0.5618706E-02 Ec_ueg -0.1127032E-02 Delta_ex -0.5736679E-02 Delta_ec 0.1316938E-02 Delta_et -0.1176856E-01 Pxc 0.4985399E+01 Qxc -0.4356073E+01 3,+1 79 3 +1 0.185984 1.962618 -2.207119 Rho 0.6195846E-02 |GRAD(Rho)| 0.1468130E-17 GRAD(Rho)x -0.1076734E-17 GRAD(Rho)y 0.2269666E-18 GRAD(Rho)z -0.9718726E-18 Laplacian 0.2588412E-01 (-1/4)Del**2(Rho)) -0.6471029E-02 Diamond 0.7591607E-03 Metallicity 0.5564347E+00 Ellipticity -0.2770560E+01 Gb(Abramov) 0.4914137E-02 Vb(Abramov) -0.3357245E-02 Hb(Abramov) 0.1556892E-02 Ex_ueg -0.8404642E-03 Ec_ueg -0.1987325E-03 Delta_ex -0.1309888E-02 Delta_ec 0.7573942E-03 Delta_et -0.4408894E-02 Pxc 0.4229124E+01 Qxc -0.1729467E+01 3,+1 80 3 +1 0.185984 1.962618 2.207119 Rho 0.6195846E-02 |GRAD(Rho)| 0.3331227E-13 GRAD(Rho)x -0.3285125E-13 GRAD(Rho)y 0.2074653E-16 GRAD(Rho)z 0.5522909E-14 Laplacian 0.2588412E-01 (-1/4)Del**2(Rho)) -0.6471029E-02 Diamond 0.7591607E-03 Metallicity 0.5564347E+00 Ellipticity -0.2770560E+01 Gb(Abramov) 0.4914137E-02 Vb(Abramov) -0.3357245E-02 Hb(Abramov) 0.1556892E-02 Ex_ueg -0.8404642E-03 Ec_ueg -0.1987325E-03 Delta_ex -0.1309888E-02 Delta_ec 0.7573942E-03 Delta_et -0.4408894E-02 Pxc 0.4229124E+01 Qxc -0.1729467E+01 3,+1 81 3 -1 1.993555 1.534490 2.718172 Rho 0.1363315E+00 |GRAD(Rho)| 0.1741423E-13 GRAD(Rho)x 0.1373115E-13 GRAD(Rho)y 0.1063569E-13 GRAD(Rho)z -0.1262147E-14 Laplacian 0.5346690E+00 (-1/4)Del**2(Rho)) -0.1336673E+00 Diamond 0.9724061E+00 Metallicity 0.4654309E+01 Ellipticity 0.3282900E-01 Gb(Abramov) 0.1927996E+00 Vb(Abramov) -0.2519320E+00 Hb(Abramov) -0.5913237E-01 Ex_ueg -0.5182191E-01 Ec_ueg -0.7574361E-02 Delta_ex -0.5616620E-01 Delta_ec 0.1401615E-01 Delta_et -0.1842365E+00 Pxc 0.6841753E+01 Qxc -0.4007249E+01 3,-1 82 3 +3 0.019821 1.578714 1.613455 Rho 0.4938613E-02 |GRAD(Rho)| 0.1301431E-11 GRAD(Rho)x 0.5810403E-12 GRAD(Rho)y 0.3697390E-12 GRAD(Rho)z 0.1104268E-11 Laplacian 0.2050022E-01 (-1/4)Del**2(Rho)) -0.5125054E-02 Diamond 0.1791286E-03 Metallicity 0.4814261E+00 Ellipticity -0.2938651E+00 Gb(Abramov) 0.3827925E-02 Vb(Abramov) -0.2530796E-02 Hb(Abramov) 0.1297129E-02 Ex_ueg -0.6211431E-03 Ec_ueg -0.1442720E-03 Delta_ex -0.7420656E-03 Delta_ec 0.1549753E-03 Delta_et -0.1037130E-02 Pxc 0.4305361E+01 Qxc -0.4788283E+01 3,+3 83 3 +3 0.019821 1.578714 -1.613455 Rho 0.4938613E-02 |GRAD(Rho)| 0.1301432E-11 GRAD(Rho)x 0.5810420E-12 GRAD(Rho)y 0.3697373E-12 GRAD(Rho)z -0.1104269E-11 Laplacian 0.2050022E-01 (-1/4)Del**2(Rho)) -0.5125054E-02 Diamond 0.1791286E-03 Metallicity 0.4814261E+00 Ellipticity -0.2938651E+00 Gb(Abramov) 0.3827925E-02 Vb(Abramov) -0.2530796E-02 Hb(Abramov) 0.1297129E-02 Ex_ueg -0.6211431E-03 Ec_ueg -0.1442720E-03 Delta_ex -0.7420656E-03 Delta_ec 0.1549753E-03 Delta_et -0.1037130E-02 Pxc 0.4305361E+01 Qxc -0.4788283E+01 3,+3 84 3 +1 1.650163 -0.749473 0.000000 Rho 0.9000717E-02 |GRAD(Rho)| 0.4729178E-17 GRAD(Rho)x -0.6693309E-18 GRAD(Rho)y 0.2361984E-17 GRAD(Rho)z 0.4042048E-17 Laplacian 0.3728867E-01 (-1/4)Del**2(Rho)) -0.9322169E-02 Diamond 0.1030420E-02 Metallicity 0.7197219E+00 Ellipticity -0.1369388E+01 Gb(Abramov) 0.7333007E-02 Vb(Abramov) -0.5343846E-02 Hb(Abramov) 0.1989161E-02 Ex_ueg -0.1382785E-02 Ec_ueg -0.3229448E-03 Delta_ex -0.1709974E-02 Delta_ec 0.5009442E-03 Delta_et -0.3483231E-02 Pxc 0.4281799E+01 Qxc -0.3413501E+01 3,+1 85 3 -1 2.965324 -0.802486 1.996228 Rho 0.8030275E-01 |GRAD(Rho)| 0.8190194E-13 GRAD(Rho)x 0.3114150E-13 GRAD(Rho)y -0.7355368E-13 GRAD(Rho)z 0.1811050E-13 Laplacian 0.3224657E+00 (-1/4)Del**2(Rho)) -0.8061644E-01 Diamond 0.3045207E+00 Metallicity 0.3194089E+01 Ellipticity 0.5248558E-02 Gb(Abramov) 0.9666030E-01 Vb(Abramov) -0.1127042E+00 Hb(Abramov) -0.1604386E-01 Ex_ueg -0.2558737E-01 Ec_ueg -0.4148223E-02 Delta_ex -0.2981144E-01 Delta_ec 0.9295582E-02 Delta_et -0.1101359E+00 Pxc 0.6168273E+01 Qxc -0.3207055E+01 3,-1 86 3 +1 2.987625 0.062808 0.224493 Rho 0.5394147E-02 |GRAD(Rho)| 0.3251872E-14 GRAD(Rho)x 0.2070550E-15 GRAD(Rho)y 0.5261576E-15 GRAD(Rho)z 0.3202337E-14 Laplacian 0.2211617E-01 (-1/4)Del**2(Rho)) -0.5529043E-02 Diamond 0.5640798E-03 Metallicity 0.5169412E+00 Ellipticity -0.3063355E+01 Gb(Abramov) 0.4162393E-02 Vb(Abramov) -0.2795744E-02 Hb(Abramov) 0.1366649E-02 Ex_ueg -0.6986860E-03 Ec_ueg -0.1639138E-03 Delta_ex -0.1109971E-02 Delta_ec 0.6858311E-03 Delta_et -0.3814660E-02 Pxc 0.4262522E+01 Qxc -0.1618432E+01 3,+1 87 3 -1 2.965324 -0.802486 -1.996228 Rho 0.8030275E-01 |GRAD(Rho)| 0.4344294E-13 GRAD(Rho)x 0.1487703E-13 GRAD(Rho)y -0.3979231E-13 GRAD(Rho)z -0.9084899E-14 Laplacian 0.3224657E+00 (-1/4)Del**2(Rho)) -0.8061644E-01 Diamond 0.3045207E+00 Metallicity 0.3194089E+01 Ellipticity 0.5248558E-02 Gb(Abramov) 0.9666030E-01 Vb(Abramov) -0.1127042E+00 Hb(Abramov) -0.1604386E-01 Ex_ueg -0.2558737E-01 Ec_ueg -0.4148223E-02 Delta_ex -0.2981144E-01 Delta_ec 0.9295582E-02 Delta_et -0.1101359E+00 Pxc 0.6168273E+01 Qxc -0.3207055E+01 3,-1 88 3 -1 2.988850 0.065077 -0.000000 Rho 0.5424453E-02 |GRAD(Rho)| 0.1613241E-16 GRAD(Rho)x -0.7370405E-18 GRAD(Rho)y -0.1611438E-16 GRAD(Rho)z 0.1954115E-18 Laplacian 0.2177933E-01 (-1/4)Del**2(Rho)) -0.5444833E-02 Diamond 0.6590988E-03 Metallicity 0.5298609E+00 Ellipticity 0.3498382E+01 Gb(Abramov) 0.4110723E-02 Vb(Abramov) -0.2776613E-02 Hb(Abramov) 0.1334110E-02 Ex_ueg -0.7039249E-03 Ec_ueg -0.1652242E-03 Delta_ex -0.1177072E-02 Delta_ec 0.8232250E-03 Delta_et -0.4526446E-02 Pxc 0.4260422E+01 Qxc -0.1429831E+01 3,-1 89 3 +1 2.987625 0.062808 -0.224493 Rho 0.5394147E-02 |GRAD(Rho)| 0.7329832E-16 GRAD(Rho)x -0.5573608E-16 GRAD(Rho)y 0.3839444E-16 GRAD(Rho)z 0.2814251E-16 Laplacian 0.2211617E-01 (-1/4)Del**2(Rho)) -0.5529043E-02 Diamond 0.5640798E-03 Metallicity 0.5169412E+00 Ellipticity -0.3063355E+01 Gb(Abramov) 0.4162393E-02 Vb(Abramov) -0.2795744E-02 Hb(Abramov) 0.1366649E-02 Ex_ueg -0.6986860E-03 Ec_ueg -0.1639138E-03 Delta_ex -0.1109971E-02 Delta_ec 0.6858311E-03 Delta_et -0.3814660E-02 Pxc 0.4262522E+01 Qxc -0.1618432E+01 3,+1 90 3 -1 -2.793521 0.907242 1.635271 Rho 0.1869265E+00 |GRAD(Rho)| 0.2582536E-15 GRAD(Rho)x -0.1060756E-15 GRAD(Rho)y -0.2346214E-15 GRAD(Rho)z -0.1989172E-16 Laplacian 0.7579347E+00 (-1/4)Del**2(Rho)) -0.1894837E+00 Diamond 0.1954637E+01 Metallicity 0.5556050E+01 Ellipticity 0.2877525E-01 Gb(Abramov) 0.3017859E+00 Vb(Abramov) -0.4140882E+00 Hb(Abramov) -0.1123022E+00 Ex_ueg -0.7893681E-01 Ec_ueg -0.1084793E-01 Delta_ex -0.8564514E-01 Delta_ec 0.1756221E-01 Delta_et -0.2380700E+00 Pxc 0.7276669E+01 Qxc -0.4876672E+01 3,-1 91 3 -1 -3.007045 2.072143 -0.795880 Rho 0.1291188E+00 |GRAD(Rho)| 0.5709166E-16 GRAD(Rho)x 0.4378144E-16 GRAD(Rho)y -0.1468755E-16 GRAD(Rho)z 0.3356961E-16 Laplacian 0.4982061E+00 (-1/4)Del**2(Rho)) -0.1245515E+00 Diamond 0.8421723E+00 Metallicity 0.4562330E+01 Ellipticity 0.5239304E-01 Gb(Abramov) 0.1777419E+00 Vb(Abramov) -0.2309322E+00 Hb(Abramov) -0.5319035E-01 Ex_ueg -0.4819897E-01 Ec_ueg -0.7120541E-02 Delta_ex -0.5157322E-01 Delta_ec 0.1308708E-01 Delta_et -0.1702608E+00 Pxc 0.6769005E+01 Qxc -0.3940773E+01 3,-1 92 3 +1 -2.656382 -0.303980 0.000000 Rho 0.5458095E-02 |GRAD(Rho)| 0.1710462E-15 GRAD(Rho)x 0.1283833E-15 GRAD(Rho)y -0.1125305E-15 GRAD(Rho)z 0.1055596E-16 Laplacian 0.2250765E-01 (-1/4)Del**2(Rho)) -0.5626912E-02 Diamond 0.3411084E-03 Metallicity 0.5180260E+00 Ellipticity -0.1097057E+01 Gb(Abramov) 0.4237089E-02 Vb(Abramov) -0.2847266E-02 Hb(Abramov) 0.1389823E-02 Ex_ueg -0.7097518E-03 Ec_ueg -0.1666794E-03 Delta_ex -0.9322047E-03 Delta_ec 0.3408333E-03 Delta_et -0.2047506E-02 Pxc 0.4258184E+01 Qxc -0.2735075E+01 3,+1 93 3 -1 -3.007045 2.072143 0.795880 Rho 0.1291188E+00 |GRAD(Rho)| 0.3747070E-15 GRAD(Rho)x -0.1754307E-15 GRAD(Rho)y 0.7587382E-16 GRAD(Rho)z -0.3222926E-15 Laplacian 0.4982061E+00 (-1/4)Del**2(Rho)) -0.1245515E+00 Diamond 0.8421723E+00 Metallicity 0.4562330E+01 Ellipticity 0.5239304E-01 Gb(Abramov) 0.1777419E+00 Vb(Abramov) -0.2309322E+00 Hb(Abramov) -0.5319035E-01 Ex_ueg -0.4819897E-01 Ec_ueg -0.7120541E-02 Delta_ex -0.5157322E-01 Delta_ec 0.1308708E-01 Delta_et -0.1702608E+00 Pxc 0.6769005E+01 Qxc -0.3940773E+01 3,-1 94 3 -1 -3.193384 2.207370 -2.290343 Rho 0.2171768E+00 |GRAD(Rho)| 0.1760623E-15 GRAD(Rho)x 0.1150339E-15 GRAD(Rho)y 0.8538092E-16 GRAD(Rho)z 0.1023487E-15 Laplacian 0.8051677E+00 (-1/4)Del**2(Rho)) -0.2012919E+00 Diamond 0.2519582E+01 Metallicity 0.6715566E+01 Ellipticity 0.8456153E-02 Gb(Abramov) 0.3594928E+00 Vb(Abramov) -0.5176937E+00 Hb(Abramov) -0.1582009E+00 Ex_ueg -0.9641317E-01 Ec_ueg -0.1287570E-01 Delta_ex -0.9475539E-01 Delta_ec 0.1824989E-01 Delta_et -0.2513755E+00 Pxc 0.7487995E+01 Qxc -0.5192107E+01 3,-1 95 3 -1 -1.985045 2.719687 -1.508680 Rho 0.1053386E+00 |GRAD(Rho)| 0.5549580E-15 GRAD(Rho)x -0.3148286E-15 GRAD(Rho)y -0.4524579E-15 GRAD(Rho)z -0.6436773E-16 Laplacian 0.4164406E+00 (-1/4)Del**2(Rho)) -0.1041102E+00 Diamond 0.5455944E+00 Metallicity 0.3887817E+01 Ellipticity 0.2587225E-01 Gb(Abramov) 0.1368670E+00 Vb(Abramov) -0.1696238E+00 Hb(Abramov) -0.3275683E-01 Ex_ueg -0.3674247E-01 Ec_ueg -0.5649564E-02 Delta_ex -0.4098589E-01 Delta_ec 0.1131188E-01 Delta_et -0.1417281E+00 Pxc 0.6503594E+01 Qxc -0.3623261E+01 3,-1 96 3 -1 -1.985045 2.719687 1.508680 Rho 0.1053386E+00 |GRAD(Rho)| 0.1424369E-15 GRAD(Rho)x 0.1144613E-15 GRAD(Rho)y 0.7025630E-16 GRAD(Rho)z -0.4744401E-16 Laplacian 0.4164406E+00 (-1/4)Del**2(Rho)) -0.1041102E+00 Diamond 0.5455944E+00 Metallicity 0.3887817E+01 Ellipticity 0.2587225E-01 Gb(Abramov) 0.1368670E+00 Vb(Abramov) -0.1696238E+00 Hb(Abramov) -0.3275683E-01 Ex_ueg -0.3674247E-01 Ec_ueg -0.5649564E-02 Delta_ex -0.4098589E-01 Delta_ec 0.1131188E-01 Delta_et -0.1417281E+00 Pxc 0.6503594E+01 Qxc -0.3623261E+01 3,-1 97 3 +1 -1.998704 2.870369 -0.000000 Rho 0.1231797E-01 |GRAD(Rho)| 0.1532237E-16 GRAD(Rho)x 0.1299702E-16 GRAD(Rho)y 0.7910711E-17 GRAD(Rho)z 0.1809209E-17 Laplacian 0.5568316E-01 (-1/4)Del**2(Rho)) -0.1392079E-01 Diamond 0.1699104E-02 Metallicity 0.8130572E+00 Ellipticity -0.1080123E+01 Gb(Abramov) 0.1116693E-01 Vb(Abramov) -0.8413062E-02 Hb(Abramov) 0.2753863E-02 Ex_ueg -0.2101054E-02 Ec_ueg -0.4742673E-03 Delta_ex -0.2584793E-02 Delta_ec 0.4170221E-03 Delta_et -0.3378645E-02 Pxc 0.4430104E+01 Qxc -0.6198216E+01 3,+1 98 3 -1 -0.217438 -3.375564 1.595701 Rho 0.5063285E-02 |GRAD(Rho)| 0.1135822E-16 GRAD(Rho)x 0.1079901E-16 GRAD(Rho)y 0.3515911E-17 GRAD(Rho)z -0.1699494E-18 Laplacian 0.1956733E-01 (-1/4)Del**2(Rho)) -0.4891831E-02 Diamond 0.7051947E-03 Metallicity 0.5257779E+00 Ellipticity 0.1790424E+00 Gb(Abramov) 0.3689890E-02 Vb(Abramov) -0.2487949E-02 Hb(Abramov) 0.1201941E-02 Ex_ueg -0.6421377E-03 Ec_ueg -0.1496372E-03 Delta_ex -0.1195389E-02 Delta_ec 0.1009228E-02 Delta_et -0.5343001E-02 Pxc 0.4291297E+01 Qxc -0.1184459E+01 3,-1 99 3 +1 -0.247392 -2.595458 -1.887660 Rho 0.3548073E-02 |GRAD(Rho)| 0.3498553E-17 GRAD(Rho)x -0.1572781E-17 GRAD(Rho)y 0.2695685E-17 GRAD(Rho)z -0.1580986E-17 Laplacian 0.1399461E-01 (-1/4)Del**2(Rho)) -0.3498652E-02 Diamond 0.1713854E-03 Metallicity 0.4064183E+00 Ellipticity -0.1545299E+01 Gb(Abramov) 0.2569421E-02 Vb(Abramov) -0.1640189E-02 Hb(Abramov) 0.9292313E-03 Ex_ueg -0.3996763E-03 Ec_ueg -0.8497572E-04 Delta_ex -0.6017521E-03 Delta_ec 0.3503055E-03 Delta_et -0.1753008E-02 Pxc 0.4703417E+01 Qxc -0.1717792E+01 3,+1 100 3 +1 -0.270788 -2.506104 -1.232399 Rho 0.3202980E-02 |GRAD(Rho)| 0.4508145E-17 GRAD(Rho)x 0.2971770E-17 GRAD(Rho)y -0.2252751E-17 GRAD(Rho)z -0.2533194E-17 Laplacian 0.1264186E-01 (-1/4)Del**2(Rho)) -0.3160465E-02 Diamond 0.1186866E-03 Metallicity 0.3793667E+00 Ellipticity -0.1229513E+01 Gb(Abramov) 0.2306806E-02 Vb(Abramov) -0.1453147E-02 Hb(Abramov) 0.8536592E-03 Ex_ueg -0.3487043E-03 Ec_ueg -0.7041880E-04 Delta_ex -0.5054177E-03 Delta_ec 0.2676384E-03 Delta_et -0.1324875E-02 Pxc 0.4951864E+01 Qxc -0.1888435E+01 3,+1 101 3 +1 -0.270788 -2.506104 1.232399 Rho 0.3202980E-02 |GRAD(Rho)| 0.1723904E-17 GRAD(Rho)x -0.9194457E-18 GRAD(Rho)y -0.9076970E-18 GRAD(Rho)z -0.1141293E-17 Laplacian 0.1264186E-01 (-1/4)Del**2(Rho)) -0.3160465E-02 Diamond 0.1186866E-03 Metallicity 0.3793667E+00 Ellipticity -0.1229513E+01 Gb(Abramov) 0.2306806E-02 Vb(Abramov) -0.1453147E-02 Hb(Abramov) 0.8536592E-03 Ex_ueg -0.3487043E-03 Ec_ueg -0.7041880E-04 Delta_ex -0.5054177E-03 Delta_ec 0.2676384E-03 Delta_et -0.1324875E-02 Pxc 0.4951864E+01 Qxc -0.1888435E+01 3,+1 102 3 +1 -0.247392 -2.595458 1.887660 Rho 0.3548073E-02 |GRAD(Rho)| 0.5439332E-17 GRAD(Rho)x -0.5358254E-17 GRAD(Rho)y 0.8213704E-18 GRAD(Rho)z -0.4481032E-18 Laplacian 0.1399461E-01 (-1/4)Del**2(Rho)) -0.3498652E-02 Diamond 0.1713854E-03 Metallicity 0.4064183E+00 Ellipticity -0.1545299E+01 Gb(Abramov) 0.2569421E-02 Vb(Abramov) -0.1640189E-02 Hb(Abramov) 0.9292313E-03 Ex_ueg -0.3996763E-03 Ec_ueg -0.8497572E-04 Delta_ex -0.6017521E-03 Delta_ec 0.3503055E-03 Delta_et -0.1753008E-02 Pxc 0.4703417E+01 Qxc -0.1717792E+01 3,+1 103 3 -1 -0.217438 -3.375564 -1.595701 Rho 0.5063285E-02 |GRAD(Rho)| 0.9938727E-15 GRAD(Rho)x -0.9064155E-16 GRAD(Rho)y 0.9842807E-15 GRAD(Rho)z 0.1037231E-15 Laplacian 0.1956733E-01 (-1/4)Del**2(Rho)) -0.4891831E-02 Diamond 0.7051947E-03 Metallicity 0.5257779E+00 Ellipticity 0.1790424E+00 Gb(Abramov) 0.3689890E-02 Vb(Abramov) -0.2487949E-02 Hb(Abramov) 0.1201941E-02 Ex_ueg -0.6421377E-03 Ec_ueg -0.1496372E-03 Delta_ex -0.1195389E-02 Delta_ec 0.1009228E-02 Delta_et -0.5343001E-02 Pxc 0.4291297E+01 Qxc -0.1184459E+01 3,-1 104 3 +1 2.011438 0.018296 -2.800072 Rho 0.1227920E-01 |GRAD(Rho)| 0.2569890E-15 GRAD(Rho)x -0.1589390E-15 GRAD(Rho)y -0.1525101E-16 GRAD(Rho)z 0.2013682E-15 Laplacian 0.5604748E-01 (-1/4)Del**2(Rho)) -0.1401187E-01 Diamond 0.1704807E-02 Metallicity 0.8035392E+00 Ellipticity -0.1062759E+01 Gb(Abramov) 0.1121776E-01 Vb(Abramov) -0.8423652E-02 Hb(Abramov) 0.2794109E-02 Ex_ueg -0.2092241E-02 Ec_ueg -0.4724730E-03 Delta_ex -0.2599966E-02 Delta_ec 0.4207721E-03 Delta_et -0.3405651E-02 Pxc 0.4428276E+01 Qxc -0.6179036E+01 3,+1 105 3 +1 2.011438 0.018296 2.800072 Rho 0.1227920E-01 |GRAD(Rho)| 0.2626053E-15 GRAD(Rho)x -0.1577789E-15 GRAD(Rho)y 0.1029378E-17 GRAD(Rho)z -0.2099198E-15 Laplacian 0.5604748E-01 (-1/4)Del**2(Rho)) -0.1401187E-01 Diamond 0.1704807E-02 Metallicity 0.8035392E+00 Ellipticity -0.1062759E+01 Gb(Abramov) 0.1121776E-01 Vb(Abramov) -0.8423652E-02 Hb(Abramov) 0.2794109E-02 Ex_ueg -0.2092241E-02 Ec_ueg -0.4724730E-03 Delta_ex -0.2599966E-02 Delta_ec 0.4207721E-03 Delta_et -0.3405651E-02 Pxc 0.4428276E+01 Qxc -0.6179036E+01 3,+1 106 3 -1 -2.730829 -0.936841 1.616593 Rho 0.6454062E-01 |GRAD(Rho)| 0.1135597E-13 GRAD(Rho)x 0.2578738E-14 GRAD(Rho)y 0.8028663E-14 GRAD(Rho)z 0.7605841E-14 Laplacian 0.2654676E+00 (-1/4)Del**2(Rho)) -0.6636689E-01 Diamond 0.1930200E+00 Metallicity 0.2695609E+01 Ellipticity 0.6837361E-02 Gb(Abramov) 0.7406112E-01 Vb(Abramov) -0.8175536E-01 Hb(Abramov) -0.7694233E-02 Ex_ueg -0.1912035E-01 Ec_ueg -0.3233130E-02 Delta_ex -0.2339599E-01 Delta_ec 0.8037647E-02 Delta_et -0.9054451E-01 Pxc 0.5913883E+01 Qxc -0.2910801E+01 3,-1 107 3 -1 -2.793521 0.907242 -1.635271 Rho 0.1869265E+00 |GRAD(Rho)| 0.4731799E-15 GRAD(Rho)x 0.9340402E-16 GRAD(Rho)y -0.4617075E-15 GRAD(Rho)z 0.4473350E-16 Laplacian 0.7579347E+00 (-1/4)Del**2(Rho)) -0.1894837E+00 Diamond 0.1954637E+01 Metallicity 0.5556050E+01 Ellipticity 0.2877525E-01 Gb(Abramov) 0.3017859E+00 Vb(Abramov) -0.4140882E+00 Hb(Abramov) -0.1123022E+00 Ex_ueg -0.7893681E-01 Ec_ueg -0.1084793E-01 Delta_ex -0.8564514E-01 Delta_ec 0.1756221E-01 Delta_et -0.2380700E+00 Pxc 0.7276669E+01 Qxc -0.4876672E+01 3,-1 108 3 +1 -1.732069 0.039445 0.708989 Rho 0.9494880E-02 |GRAD(Rho)| 0.4372497E-16 GRAD(Rho)x 0.2999726E-16 GRAD(Rho)y -0.2714359E-16 GRAD(Rho)z -0.1659105E-16 Laplacian 0.3821909E-01 (-1/4)Del**2(Rho)) -0.9554772E-02 Diamond 0.1158867E-02 Metallicity 0.7676242E+00 Ellipticity -0.1440959E+01 Gb(Abramov) 0.7592260E-02 Vb(Abramov) -0.5629749E-02 Hb(Abramov) 0.1962512E-02 Ex_ueg -0.1484924E-02 Ec_ueg -0.3451953E-03 Delta_ex -0.1785858E-02 Delta_ec 0.5295105E-03 Delta_et -0.3718686E-02 Pxc 0.4301694E+01 Qxc -0.3372659E+01 3,+1 109 3 +3 -1.148047 0.021761 1.545795 Rho 0.5153565E-02 |GRAD(Rho)| 0.3510442E-11 GRAD(Rho)x 0.5256843E-13 GRAD(Rho)y -0.2469618E-11 GRAD(Rho)z 0.2494278E-11 Laplacian 0.2041743E-01 (-1/4)Del**2(Rho)) -0.5104358E-02 Diamond 0.1461211E-03 Metallicity 0.5189493E+00 Ellipticity -0.2497052E+00 Gb(Abramov) 0.3844389E-02 Vb(Abramov) -0.2584421E-02 Hb(Abramov) 0.1259969E-02 Ex_ueg -0.6574490E-03 Ec_ueg -0.1535273E-03 Delta_ex -0.7091381E-03 Delta_ec 0.8596742E-04 Delta_et -0.6955379E-03 Pxc 0.4282294E+01 Qxc -0.8248918E+01 3,+3 110 3 +3 -1.148047 0.021761 -1.545795 Rho 0.5153565E-02 |GRAD(Rho)| 0.2224084E-16 GRAD(Rho)x -0.1052667E-16 GRAD(Rho)y 0.1778205E-18 GRAD(Rho)z 0.1959113E-16 Laplacian 0.2041743E-01 (-1/4)Del**2(Rho)) -0.5104358E-02 Diamond 0.1461211E-03 Metallicity 0.5189493E+00 Ellipticity -0.2497052E+00 Gb(Abramov) 0.3844389E-02 Vb(Abramov) -0.2584421E-02 Hb(Abramov) 0.1259969E-02 Ex_ueg -0.6574490E-03 Ec_ueg -0.1535273E-03 Delta_ex -0.7091381E-03 Delta_ec 0.8596741E-04 Delta_et -0.6955379E-03 Pxc 0.4282294E+01 Qxc -0.8248918E+01 3,+3 111 3 -1 -1.736726 -1.651274 2.295657 Rho 0.1336570E+00 |GRAD(Rho)| 0.1256503E-12 GRAD(Rho)x -0.8072236E-13 GRAD(Rho)y -0.6332754E-13 GRAD(Rho)z -0.7253632E-13 Laplacian 0.5624503E+00 (-1/4)Del**2(Rho)) -0.1406126E+00 Diamond 0.1005456E+01 Metallicity 0.4280703E+01 Ellipticity 0.1072706E-01 Gb(Abramov) 0.1940618E+00 Vb(Abramov) -0.2475111E+00 Hb(Abramov) -0.5344925E-01 Ex_ueg -0.5047085E-01 Ec_ueg -0.7405684E-02 Delta_ex -0.5887865E-01 Delta_ec 0.1495137E-01 Delta_et -0.1961765E+00 Pxc 0.6815150E+01 Qxc -0.3938011E+01 3,-1 112 3 +1 -1.732069 0.039445 -0.708989 Rho 0.9494880E-02 |GRAD(Rho)| 0.3935587E-14 GRAD(Rho)x 0.2853614E-14 GRAD(Rho)y -0.8007032E-15 GRAD(Rho)z 0.2589324E-14 Laplacian 0.3821909E-01 (-1/4)Del**2(Rho)) -0.9554772E-02 Diamond 0.1158867E-02 Metallicity 0.7676242E+00 Ellipticity -0.1440959E+01 Gb(Abramov) 0.7592260E-02 Vb(Abramov) -0.5629749E-02 Hb(Abramov) 0.1962512E-02 Ex_ueg -0.1484924E-02 Ec_ueg -0.3451953E-03 Delta_ex -0.1785858E-02 Delta_ec 0.5295105E-03 Delta_et -0.3718686E-02 Pxc 0.4301694E+01 Qxc -0.3372659E+01 3,+1 113 3 -1 -0.059120 0.008139 -4.448662 Rho 0.2322380E+00 |GRAD(Rho)| 0.1644132E-12 GRAD(Rho)x 0.3279728E-13 GRAD(Rho)y 0.1624273E-14 GRAD(Rho)z 0.1611006E-12 Laplacian 0.8774194E+00 (-1/4)Del**2(Rho)) -0.2193548E+00 Diamond 0.2964032E+01 Metallicity 0.6891196E+01 Ellipticity 0.2141171E-02 Gb(Abramov) 0.3981728E+00 Vb(Abramov) -0.5769907E+00 Hb(Abramov) -0.1788179E+00 Ex_ueg -0.1054296E+00 Ec_ueg -0.1390420E-01 Delta_ex -0.1050010E+00 Delta_ec 0.1938496E-01 Delta_et -0.2673875E+00 Pxc 0.7582576E+01 Qxc -0.5416622E+01 3,-1 114 3 +1 1.308842 -0.768609 -2.335022 Rho 0.2943169E-01 |GRAD(Rho)| 0.1105455E-16 GRAD(Rho)x -0.8352378E-17 GRAD(Rho)y 0.7104361E-17 GRAD(Rho)z -0.1403163E-17 Laplacian 0.1139868E+00 (-1/4)Del**2(Rho)) -0.2849670E-01 Diamond 0.1779803E-01 Metallicity 0.1696097E+01 Ellipticity -0.3864406E+01 Gb(Abramov) 0.2705333E-01 Vb(Abramov) -0.2560995E-01 Hb(Abramov) 0.1443373E-02 Ex_ueg -0.6711280E-02 Ec_ueg -0.1314331E-02 Delta_ex -0.7331040E-02 Delta_ec 0.1798846E-02 Delta_et -0.1653056E-01 Pxc 0.5106235E+01 Qxc -0.4075414E+01 3,+1 115 3 +1 1.308842 -0.768609 2.335022 Rho 0.2943169E-01 |GRAD(Rho)| 0.4860134E-16 GRAD(Rho)x 0.9915759E-17 GRAD(Rho)y -0.3420565E-16 GRAD(Rho)z 0.3307175E-16 Laplacian 0.1139868E+00 (-1/4)Del**2(Rho)) -0.2849670E-01 Diamond 0.1779803E-01 Metallicity 0.1696097E+01 Ellipticity -0.3864406E+01 Gb(Abramov) 0.2705333E-01 Vb(Abramov) -0.2560995E-01 Hb(Abramov) 0.1443373E-02 Ex_ueg -0.6711280E-02 Ec_ueg -0.1314331E-02 Delta_ex -0.7331040E-02 Delta_ec 0.1798846E-02 Delta_et -0.1653056E-01 Pxc 0.5106235E+01 Qxc -0.4075414E+01 3,+1 116 3 -1 0.884808 -0.678846 3.501833 Rho 0.1455070E+00 |GRAD(Rho)| 0.3359797E-13 GRAD(Rho)x -0.1141640E-13 GRAD(Rho)y -0.1255319E-13 GRAD(Rho)z -0.2899839E-13 Laplacian 0.5776364E+00 (-1/4)Del**2(Rho)) -0.1444091E+00 Diamond 0.1128589E+01 Metallicity 0.4802105E+01 Ellipticity 0.6439333E-01 Gb(Abramov) 0.2118507E+00 Vb(Abramov) -0.2792922E+00 Hb(Abramov) -0.6744157E-01 Ex_ueg -0.5652364E-01 Ec_ueg -0.8156519E-02 Delta_ex -0.6157159E-01 Delta_ec 0.1476654E-01 Delta_et -0.1957264E+00 Pxc 0.6929873E+01 Qxc -0.4169669E+01 3,-1 117 3 -1 0.884808 -0.678846 -3.501833 Rho 0.1455070E+00 |GRAD(Rho)| 0.2798472E-13 GRAD(Rho)x -0.1437023E-13 GRAD(Rho)y 0.8517953E-14 GRAD(Rho)z -0.2245184E-13 Laplacian 0.5776364E+00 (-1/4)Del**2(Rho)) -0.1444091E+00 Diamond 0.1128589E+01 Metallicity 0.4802105E+01 Ellipticity 0.6439333E-01 Gb(Abramov) 0.2118507E+00 Vb(Abramov) -0.2792922E+00 Hb(Abramov) -0.6744157E-01 Ex_ueg -0.5652364E-01 Ec_ueg -0.8156519E-02 Delta_ex -0.6157159E-01 Delta_ec 0.1476654E-01 Delta_et -0.1957264E+00 Pxc 0.6929873E+01 Qxc -0.4169669E+01 3,-1 118 3 -1 0.517351 -0.030492 -2.381301 Rho 0.5746685E-01 |GRAD(Rho)| 0.4157033E-16 GRAD(Rho)x -0.2823627E-16 GRAD(Rho)y -0.4983677E-17 GRAD(Rho)z 0.3009932E-16 Laplacian 0.2199091E+00 (-1/4)Del**2(Rho)) -0.5497729E-01 Diamond 0.1315305E+00 Metallicity 0.2681630E+01 Ellipticity 0.8752149E-02 Gb(Abramov) 0.6122298E-01 Vb(Abramov) -0.6746868E-01 Hb(Abramov) -0.6245694E-02 Ex_ueg -0.1637853E-01 Ec_ueg -0.2831590E-02 Delta_ex -0.1863676E-01 Delta_ec 0.6342940E-02 Delta_et -0.6924808E-01 Pxc 0.5784217E+01 Qxc -0.2938190E+01 3,-1 119 3 -1 0.517351 -0.030492 2.381301 Rho 0.5746685E-01 |GRAD(Rho)| 0.4805711E-15 GRAD(Rho)x 0.1268500E-15 GRAD(Rho)y -0.2339807E-16 GRAD(Rho)z -0.4629365E-15 Laplacian 0.2199091E+00 (-1/4)Del**2(Rho)) -0.5497729E-01 Diamond 0.1315305E+00 Metallicity 0.2681630E+01 Ellipticity 0.8752149E-02 Gb(Abramov) 0.6122298E-01 Vb(Abramov) -0.6746868E-01 Hb(Abramov) -0.6245694E-02 Ex_ueg -0.1637853E-01 Ec_ueg -0.2831590E-02 Delta_ex -0.1863676E-01 Delta_ec 0.6342940E-02 Delta_et -0.6924808E-01 Pxc 0.5784217E+01 Qxc -0.2938190E+01 3,-1 120 3 +1 1.339051 0.738333 -2.284437 Rho 0.2575956E-01 |GRAD(Rho)| 0.1241057E-11 GRAD(Rho)x -0.8676853E-12 GRAD(Rho)y -0.5964492E-12 GRAD(Rho)z -0.6569571E-12 Laplacian 0.9398537E-01 (-1/4)Del**2(Rho)) -0.2349634E-01 Diamond 0.1131772E-01 Metallicity 0.1647341E+01 Ellipticity -0.2856097E+01 Gb(Abramov) 0.2211531E-01 Vb(Abramov) -0.2073428E-01 Hb(Abramov) 0.1381031E-02 Ex_ueg -0.5618706E-02 Ec_ueg -0.1127032E-02 Delta_ex -0.5736679E-02 Delta_ec 0.1316938E-02 Delta_et -0.1176856E-01 Pxc 0.4985399E+01 Qxc -0.4356073E+01 3,+1 121 3 -1 0.334737 -0.066962 -0.552551 Rho 0.1348392E+00 |GRAD(Rho)| 0.1167295E-14 GRAD(Rho)x -0.1147367E-14 GRAD(Rho)y -0.3945850E-16 GRAD(Rho)z 0.2111138E-15 Laplacian 0.6906492E+00 (-1/4)Del**2(Rho)) -0.1726623E+00 Diamond 0.1481716E+01 Metallicity 0.3537658E+01 Ellipticity 0.4669475E-02 Gb(Abramov) 0.2169116E+00 Vb(Abramov) -0.2611608E+00 Hb(Abramov) -0.4424926E-01 Ex_ueg -0.5106695E-01 Ec_ueg -0.7480186E-02 Delta_ex -0.7513881E-01 Delta_ec 0.2311674E-01 Delta_et -0.3130210E+00 Pxc 0.6826962E+01 Qxc -0.3250407E+01 3,-1 122 3 -1 0.334737 -0.066962 0.552551 Rho 0.1348392E+00 |GRAD(Rho)| 0.9087985E-15 GRAD(Rho)x -0.9066208E-15 GRAD(Rho)y -0.4648101E-16 GRAD(Rho)z 0.4234306E-16 Laplacian 0.6906492E+00 (-1/4)Del**2(Rho)) -0.1726623E+00 Diamond 0.1481716E+01 Metallicity 0.3537658E+01 Ellipticity 0.4669475E-02 Gb(Abramov) 0.2169116E+00 Vb(Abramov) -0.2611608E+00 Hb(Abramov) -0.4424926E-01 Ex_ueg -0.5106695E-01 Ec_ueg -0.7480186E-02 Delta_ex -0.7513881E-01 Delta_ec 0.2311674E-01 Delta_et -0.3130210E+00 Pxc 0.6826962E+01 Qxc -0.3250407E+01 3,-1 123 3 -1 1.975078 -1.526909 -2.720089 Rho 0.1287941E+00 |GRAD(Rho)| 0.1042783E-13 GRAD(Rho)x -0.7093704E-14 GRAD(Rho)y -0.7157720E-14 GRAD(Rho)z -0.2680663E-14 Laplacian 0.4949424E+00 (-1/4)Del**2(Rho)) -0.1237356E+00 Diamond 0.8489288E+00 Metallicity 0.4573184E+01 Ellipticity 0.2926391E-01 Gb(Abramov) 0.1768013E+00 Vb(Abramov) -0.2298671E+00 Hb(Abramov) -0.5306574E-01 Ex_ueg -0.4803744E-01 Ec_ueg -0.7100192E-02 Delta_ex -0.5138496E-01 Delta_ec 0.1333172E-01 Delta_et -0.1739659E+00 Pxc 0.6765653E+01 Qxc -0.3854339E+01 3,-1 124 3 -1 1.665098 -0.929344 -1.561571 Rho 0.5019580E-01 |GRAD(Rho)| 0.7004878E-14 GRAD(Rho)x -0.2123918E-15 GRAD(Rho)y -0.7001535E-14 GRAD(Rho)z -0.4134940E-16 Laplacian 0.1871224E+00 (-1/4)Del**2(Rho)) -0.4678061E-01 Diamond 0.9376165E-01 Metallicity 0.2515357E+01 Ellipticity 0.1231725E-01 Gb(Abramov) 0.5079873E-01 Vb(Abramov) -0.5481684E-01 Hb(Abramov) -0.4018117E-02 Ex_ueg -0.1367545E-01 Ec_ueg -0.2425700E-02 Delta_ex -0.1534903E-01 Delta_ec 0.5452771E-02 Delta_et -0.5752178E-01 Pxc 0.5637733E+01 Qxc -0.2814904E+01 3,-1 125 3 +3 2.302249 0.071338 0.000000 Rho 0.4342477E-02 |GRAD(Rho)| 0.1663584E-11 GRAD(Rho)x 0.7160683E-12 GRAD(Rho)y -0.1390753E-11 GRAD(Rho)z 0.5661851E-12 Laplacian 0.1812685E-01 (-1/4)Del**2(Rho)) -0.4531712E-02 Diamond 0.1415931E-03 Metallicity 0.4393933E+00 Ellipticity -0.2533636E+00 Gb(Abramov) 0.3353009E-02 Vb(Abramov) -0.2174305E-02 Hb(Abramov) 0.1178703E-02 Ex_ueg -0.5232410E-03 Ec_ueg -0.1187276E-03 Delta_ex -0.6440420E-03 Delta_ec 0.1543020E-03 Delta_et -0.9737955E-03 Pxc 0.4407072E+01 Qxc -0.4173906E+01 3,+3 126 3 -1 1.665098 -0.929344 1.561571 Rho 0.5019580E-01 |GRAD(Rho)| 0.7880596E-16 GRAD(Rho)x -0.3031107E-17 GRAD(Rho)y -0.7871265E-16 GRAD(Rho)z -0.2347128E-17 Laplacian 0.1871224E+00 (-1/4)Del**2(Rho)) -0.4678061E-01 Diamond 0.9376165E-01 Metallicity 0.2515357E+01 Ellipticity 0.1231725E-01 Gb(Abramov) 0.5079873E-01 Vb(Abramov) -0.5481684E-01 Hb(Abramov) -0.4018117E-02 Ex_ueg -0.1367545E-01 Ec_ueg -0.2425700E-02 Delta_ex -0.1534903E-01 Delta_ec 0.5452771E-02 Delta_et -0.5752178E-01 Pxc 0.5637733E+01 Qxc -0.2814904E+01 3,-1 127 3 -1 1.975078 -1.526909 2.720089 Rho 0.1287941E+00 |GRAD(Rho)| 0.2509530E-15 GRAD(Rho)x 0.1724559E-15 GRAD(Rho)y 0.8902655E-16 GRAD(Rho)z 0.1590931E-15 Laplacian 0.4949424E+00 (-1/4)Del**2(Rho)) -0.1237356E+00 Diamond 0.8489288E+00 Metallicity 0.4573184E+01 Ellipticity 0.2926391E-01 Gb(Abramov) 0.1768013E+00 Vb(Abramov) -0.2298671E+00 Hb(Abramov) -0.5306574E-01 Ex_ueg -0.4803744E-01 Ec_ueg -0.7100192E-02 Delta_ex -0.5138496E-01 Delta_ec 0.1333172E-01 Delta_et -0.1739659E+00 Pxc 0.6765653E+01 Qxc -0.3854339E+01 3,-1 128 3 +3 1.968162 0.014494 -2.734614 Rho 0.1227335E-01 |GRAD(Rho)| 0.1931640E-16 GRAD(Rho)x -0.1237672E-16 GRAD(Rho)y -0.1453798E-16 GRAD(Rho)z 0.2930360E-17 Laplacian 0.5559027E-01 (-1/4)Del**2(Rho)) -0.1389757E-01 Diamond 0.1498717E-02 Metallicity 0.8095051E+00 Ellipticity -0.9246028E+00 Gb(Abramov) 0.1114007E-01 Vb(Abramov) -0.8382573E-02 Hb(Abramov) 0.2757497E-02 Ex_ueg -0.2090913E-02 Ec_ueg -0.4722025E-03 Delta_ex -0.2524830E-02 Delta_ec 0.3216760E-03 Delta_et -0.2728909E-02 Pxc 0.4428000E+01 Qxc -0.7848987E+01 3,+3 129 3 -1 1.805322 2.335082 -1.560619 Rho 0.1375929E+00 |GRAD(Rho)| 0.4342079E-15 GRAD(Rho)x 0.3772346E-15 GRAD(Rho)y -0.1960780E-15 GRAD(Rho)z -0.8822695E-16 Laplacian 0.5830008E+00 (-1/4)Del**2(Rho)) -0.1457502E+00 Diamond 0.1063548E+01 Metallicity 0.4334483E+01 Ellipticity 0.7899354E-02 Gb(Abramov) 0.2024588E+00 Vb(Abramov) -0.2591673E+00 Hb(Abramov) -0.5670856E-01 Ex_ueg -0.5246218E-01 Ec_ueg -0.7654074E-02 Delta_ex -0.6128460E-01 Delta_ec 0.1507851E-01 Delta_et -0.1981426E+00 Pxc 0.6854151E+01 Qxc -0.4064368E+01 3,-1 130 3 -1 1.805322 2.335082 1.560619 Rho 0.1375929E+00 |GRAD(Rho)| 0.3140728E-15 GRAD(Rho)x -0.2641659E-15 GRAD(Rho)y 0.1064415E-15 GRAD(Rho)z -0.1323946E-15 Laplacian 0.5830008E+00 (-1/4)Del**2(Rho)) -0.1457502E+00 Diamond 0.1063548E+01 Metallicity 0.4334483E+01 Ellipticity 0.7899354E-02 Gb(Abramov) 0.2024588E+00 Vb(Abramov) -0.2591673E+00 Hb(Abramov) -0.5670856E-01 Ex_ueg -0.5246218E-01 Ec_ueg -0.7654074E-02 Delta_ex -0.6128460E-01 Delta_ec 0.1507851E-01 Delta_et -0.1981426E+00 Pxc 0.6854151E+01 Qxc -0.4064368E+01 3,-1 131 3 +3 1.968162 0.014494 2.734614 Rho 0.1227335E-01 |GRAD(Rho)| 0.1808617E-16 GRAD(Rho)x -0.1383325E-16 GRAD(Rho)y 0.1120246E-16 GRAD(Rho)z -0.3202434E-17 Laplacian 0.5559027E-01 (-1/4)Del**2(Rho)) -0.1389757E-01 Diamond 0.1498717E-02 Metallicity 0.8095051E+00 Ellipticity -0.9246028E+00 Gb(Abramov) 0.1114007E-01 Vb(Abramov) -0.8382573E-02 Hb(Abramov) 0.2757497E-02 Ex_ueg -0.2090913E-02 Ec_ueg -0.4722025E-03 Delta_ex -0.2524830E-02 Delta_ec 0.3216760E-03 Delta_et -0.2728909E-02 Pxc 0.4428000E+01 Qxc -0.7848987E+01 3,+3 132 3 -1 3.194873 2.338664 2.220152 Rho 0.2330551E+00 |GRAD(Rho)| 0.3330440E-12 GRAD(Rho)x -0.2187414E-12 GRAD(Rho)y -0.2203074E-12 GRAD(Rho)z -0.1205620E-12 Laplacian 0.8536397E+00 (-1/4)Del**2(Rho)) -0.2134099E+00 Diamond 0.2916837E+01 Metallicity 0.7124750E+01 Ellipticity 0.7827621E-02 Gb(Abramov) 0.3956887E+00 Vb(Abramov) -0.5779674E+00 Hb(Abramov) -0.1822787E+00 Ex_ueg -0.1059245E+00 Ec_ueg -0.1396035E-01 Delta_ex -0.1023647E+00 Delta_ec 0.1904692E-01 Delta_et -0.2636479E+00 Pxc 0.7587525E+01 Qxc -0.5374342E+01 3,-1 133 3 -1 1.718028 0.801844 -1.583157 Rho 0.3881940E-01 |GRAD(Rho)| 0.1733049E-12 GRAD(Rho)x 0.4270406E-13 GRAD(Rho)y -0.1674040E-12 GRAD(Rho)z -0.1366914E-13 Laplacian 0.1425934E+00 (-1/4)Del**2(Rho)) -0.3564835E-01 Diamond 0.4878824E-01 Metallicity 0.2150775E+01 Ellipticity 0.3852734E-01 Gb(Abramov) 0.3654417E-01 Vb(Abramov) -0.3743998E-01 Hb(Abramov) -0.8958144E-03 Ex_ueg -0.9707710E-02 Ec_ueg -0.1806879E-02 Delta_ex -0.1087102E-01 Delta_ec 0.3991933E-02 Delta_et -0.3932807E-01 Pxc 0.5372640E+01 Qxc -0.2723247E+01 3,-1 134 3 -1 1.718028 0.801844 1.583157 Rho 0.3881940E-01 |GRAD(Rho)| 0.1732535E-12 GRAD(Rho)x 0.4273730E-13 GRAD(Rho)y -0.1673408E-12 GRAD(Rho)z 0.1368771E-13 Laplacian 0.1425934E+00 (-1/4)Del**2(Rho)) -0.3564835E-01 Diamond 0.4878824E-01 Metallicity 0.2150775E+01 Ellipticity 0.3852734E-01 Gb(Abramov) 0.3654417E-01 Vb(Abramov) -0.3743998E-01 Hb(Abramov) -0.8958144E-03 Ex_ueg -0.9707710E-02 Ec_ueg -0.1806879E-02 Delta_ex -0.1087102E-01 Delta_ec 0.3991933E-02 Delta_et -0.3932807E-01 Pxc 0.5372640E+01 Qxc -0.2723247E+01 3,-1 135 3 -1 -2.730829 -0.936841 -1.616593 Rho 0.6454062E-01 |GRAD(Rho)| 0.2385306E-15 GRAD(Rho)x 0.2081033E-16 GRAD(Rho)y -0.2373115E-15 GRAD(Rho)z 0.1212406E-16 Laplacian 0.2654676E+00 (-1/4)Del**2(Rho)) -0.6636689E-01 Diamond 0.1930200E+00 Metallicity 0.2695609E+01 Ellipticity 0.6837361E-02 Gb(Abramov) 0.7406112E-01 Vb(Abramov) -0.8175536E-01 Hb(Abramov) -0.7694233E-02 Ex_ueg -0.1912035E-01 Ec_ueg -0.3233130E-02 Delta_ex -0.2339599E-01 Delta_ec 0.8037647E-02 Delta_et -0.9054451E-01 Pxc 0.5913883E+01 Qxc -0.2910801E+01 3,-1 136 3 +1 -2.249937 -1.802372 -0.000000 Rho 0.3403156E-01 |GRAD(Rho)| 0.1094045E-15 GRAD(Rho)x -0.1065842E-15 GRAD(Rho)y -0.2261869E-16 GRAD(Rho)z -0.9877042E-17 Laplacian 0.1396483E+00 (-1/4)Del**2(Rho)) -0.3491207E-01 Diamond 0.2702106E-01 Metallicity 0.1763521E+01 Ellipticity -0.4583240E+01 Gb(Abramov) 0.3353608E-01 Vb(Abramov) -0.3216008E-01 Hb(Abramov) 0.1375994E-02 Ex_ueg -0.8145059E-02 Ec_ueg -0.1553374E-02 Delta_ex -0.9372579E-02 Delta_ec 0.2251852E-02 Delta_et -0.2138682E-01 Pxc 0.5243464E+01 Qxc -0.4162165E+01 3,+1 137 3 -1 -1.736726 -1.651274 -2.295657 Rho 0.1336570E+00 |GRAD(Rho)| 0.2328008E-14 GRAD(Rho)x -0.2141557E-14 GRAD(Rho)y 0.7501459E-15 GRAD(Rho)z 0.5202273E-15 Laplacian 0.5624503E+00 (-1/4)Del**2(Rho)) -0.1406126E+00 Diamond 0.1005456E+01 Metallicity 0.4280703E+01 Ellipticity 0.1072706E-01 Gb(Abramov) 0.1940618E+00 Vb(Abramov) -0.2475111E+00 Hb(Abramov) -0.5344925E-01 Ex_ueg -0.5047085E-01 Ec_ueg -0.7405684E-02 Delta_ex -0.5887865E-01 Delta_ec 0.1495137E-01 Delta_et -0.1961765E+00 Pxc 0.6815150E+01 Qxc -0.3938011E+01 3,-1 138 3 -1 -1.739914 -1.673794 -0.810788 Rho 0.6737851E-01 |GRAD(Rho)| 0.1377249E-15 GRAD(Rho)x -0.1239802E-15 GRAD(Rho)y -0.4642757E-16 GRAD(Rho)z -0.3796740E-16 Laplacian 0.2609868E+00 (-1/4)Del**2(Rho)) -0.6524670E-01 Diamond 0.1952472E+00 Metallicity 0.2945757E+01 Ellipticity 0.2747501E-01 Gb(Abramov) 0.7553129E-01 Vb(Abramov) -0.8581588E-01 Hb(Abramov) -0.1028459E-01 Ex_ueg -0.2024947E-01 Ec_ueg -0.3395908E-02 Delta_ex -0.2308367E-01 Delta_ec 0.7592027E-02 Delta_et -0.8627364E-01 Pxc 0.5962901E+01 Qxc -0.3040515E+01 3,-1 139 3 -1 -1.739914 -1.673794 0.810788 Rho 0.6737851E-01 |GRAD(Rho)| 0.1192039E-15 GRAD(Rho)x 0.1176995E-15 GRAD(Rho)y 0.1882192E-16 GRAD(Rho)z 0.1465367E-17 Laplacian 0.2609868E+00 (-1/4)Del**2(Rho)) -0.6524670E-01 Diamond 0.1952472E+00 Metallicity 0.2945757E+01 Ellipticity 0.2747501E-01 Gb(Abramov) 0.7553129E-01 Vb(Abramov) -0.8581588E-01 Hb(Abramov) -0.1028459E-01 Ex_ueg -0.2024947E-01 Ec_ueg -0.3395908E-02 Delta_ex -0.2308367E-01 Delta_ec 0.7592027E-02 Delta_et -0.8627364E-01 Pxc 0.5962901E+01 Qxc -0.3040515E+01 3,-1 140 3 -1 0.037665 2.065534 -2.103695 Rho 0.6234367E-02 |GRAD(Rho)| 0.1186911E-12 GRAD(Rho)x -0.2231406E-13 GRAD(Rho)y -0.9321141E-13 GRAD(Rho)z -0.7000920E-13 Laplacian 0.2524498E-01 (-1/4)Del**2(Rho)) -0.6311245E-02 Diamond 0.9141533E-03 Metallicity 0.5764461E+00 Ellipticity 0.2098425E+01 Gb(Abramov) 0.4813845E-02 Vb(Abramov) -0.3316446E-02 Hb(Abramov) 0.1497400E-02 Ex_ueg -0.8474385E-03 Ec_ueg -0.2004134E-03 Delta_ex -0.1395078E-02 Delta_ec 0.9456495E-03 Delta_et -0.5427609E-02 Pxc 0.4228453E+01 Qxc -0.1475259E+01 3,-1 141 3 +3 -0.231260 -2.333520 -1.398764 Rho 0.3180813E-02 |GRAD(Rho)| 0.5415852E-14 GRAD(Rho)x -0.3089923E-14 GRAD(Rho)y 0.2576859E-14 GRAD(Rho)z -0.3625415E-14 Laplacian 0.1261745E-01 (-1/4)Del**2(Rho)) -0.3154364E-02 Diamond 0.1054675E-03 Metallicity 0.3757263E+00 Ellipticity -0.7461632E+00 Gb(Abramov) 0.2300439E-02 Vb(Abramov) -0.1446514E-02 Hb(Abramov) 0.8539250E-03 Ex_ueg -0.3454903E-03 Ec_ueg -0.6948594E-04 Delta_ex -0.4835433E-03 Delta_ec 0.2310946E-03 Delta_et -0.1163907E-02 Pxc 0.4972090E+01 Qxc -0.2092404E+01 3,+3 142 3 +3 -0.231260 -2.333520 1.398764 Rho 0.3180813E-02 |GRAD(Rho)| 0.5414929E-14 GRAD(Rho)x -0.3088104E-14 GRAD(Rho)y 0.2579952E-14 GRAD(Rho)z 0.3623385E-14 Laplacian 0.1261745E-01 (-1/4)Del**2(Rho)) -0.3154364E-02 Diamond 0.1054675E-03 Metallicity 0.3757263E+00 Ellipticity -0.7461632E+00 Gb(Abramov) 0.2300439E-02 Vb(Abramov) -0.1446514E-02 Hb(Abramov) 0.8539250E-03 Ex_ueg -0.3454903E-03 Ec_ueg -0.6948594E-04 Delta_ex -0.4835433E-03 Delta_ec 0.2310946E-03 Delta_et -0.1163907E-02 Pxc 0.4972090E+01 Qxc -0.2092404E+01 3,+3 143 3 -1 3.024414 0.843466 -2.016478 Rho 0.1814883E+00 |GRAD(Rho)| 0.1760020E-13 GRAD(Rho)x 0.7779395E-14 GRAD(Rho)y 0.1512511E-13 GRAD(Rho)z -0.4525392E-14 Laplacian 0.7090263E+00 (-1/4)Del**2(Rho)) -0.1772566E+00 Diamond 0.1797671E+01 Metallicity 0.5654121E+01 Ellipticity 0.5097274E-01 Gb(Abramov) 0.2852094E+00 Vb(Abramov) -0.3931623E+00 Hb(Abramov) -0.1079528E+00 Ex_ueg -0.7588976E-01 Ec_ueg -0.1048885E-01 Delta_ex -0.7977408E-01 Delta_ec 0.1701385E-01 Delta_et -0.2314444E+00 Pxc 0.7235280E+01 Qxc -0.4688773E+01 3,-1 144 3 -1 3.024414 0.843466 2.016478 Rho 0.1814883E+00 |GRAD(Rho)| 0.6480568E-14 GRAD(Rho)x -0.4648246E-14 GRAD(Rho)y 0.4253434E-14 GRAD(Rho)z -0.1516535E-14 Laplacian 0.7090263E+00 (-1/4)Del**2(Rho)) -0.1772566E+00 Diamond 0.1797671E+01 Metallicity 0.5654121E+01 Ellipticity 0.5097274E-01 Gb(Abramov) 0.2852094E+00 Vb(Abramov) -0.3931623E+00 Hb(Abramov) -0.1079528E+00 Ex_ueg -0.7588976E-01 Ec_ueg -0.1048885E-01 Delta_ex -0.7977408E-01 Delta_ec 0.1701385E-01 Delta_et -0.2314444E+00 Pxc 0.7235280E+01 Qxc -0.4688773E+01 3,-1 145 3 -1 2.818138 1.706092 -0.873824 Rho 0.1407257E+00 |GRAD(Rho)| 0.4053865E-13 GRAD(Rho)x 0.1450166E-13 GRAD(Rho)y 0.3201779E-14 GRAD(Rho)z -0.3772045E-13 Laplacian 0.5892876E+00 (-1/4)Del**2(Rho)) -0.1473219E+00 Diamond 0.1111479E+01 Metallicity 0.4452204E+01 Ellipticity 0.1489213E-01 Gb(Abramov) 0.2075325E+00 Vb(Abramov) -0.2677430E+00 Hb(Abramov) -0.6021056E-01 Ex_ueg -0.5406088E-01 Ec_ueg -0.7852497E-02 Delta_ex -0.6236174E-01 Delta_ec 0.1529319E-01 Delta_et -0.2019338E+00 Pxc 0.6884546E+01 Qxc -0.4077745E+01 3,-1 146 3 -1 2.818138 1.706092 0.873824 Rho 0.1407257E+00 |GRAD(Rho)| 0.1567860E-15 GRAD(Rho)x -0.1384594E-15 GRAD(Rho)y -0.4632656E-16 GRAD(Rho)z -0.5713745E-16 Laplacian 0.5892876E+00 (-1/4)Del**2(Rho)) -0.1473219E+00 Diamond 0.1111479E+01 Metallicity 0.4452204E+01 Ellipticity 0.1489213E-01 Gb(Abramov) 0.2075325E+00 Vb(Abramov) -0.2677430E+00 Hb(Abramov) -0.6021056E-01 Ex_ueg -0.5406088E-01 Ec_ueg -0.7852497E-02 Delta_ex -0.6236174E-01 Delta_ec 0.1529319E-01 Delta_et -0.2019338E+00 Pxc 0.6884546E+01 Qxc -0.4077745E+01 3,-1 147 3 -1 -0.540876 0.720980 -3.194433 Rho 0.1468131E+00 |GRAD(Rho)| 0.8441549E-13 GRAD(Rho)x -0.4007676E-13 GRAD(Rho)y -0.6877646E-13 GRAD(Rho)z 0.2810030E-13 Laplacian 0.6133858E+00 (-1/4)Del**2(Rho)) -0.1533465E+00 Diamond 0.1209422E+01 Metallicity 0.4590083E+01 Ellipticity 0.1589080E-01 Gb(Abramov) 0.2195431E+00 Vb(Abramov) -0.2857398E+00 Hb(Abramov) -0.6619667E-01 Ex_ueg -0.5720113E-01 Ec_ueg -0.8239816E-02 Delta_ex -0.6550553E-01 Delta_ec 0.1561029E-01 Delta_et -0.2070958E+00 Pxc 0.6942039E+01 Qxc -0.4196306E+01 3,-1 148 3 -1 -0.432135 0.527079 -0.000000 Rho 0.1370004E+00 |GRAD(Rho)| 0.1990302E-13 GRAD(Rho)x 0.7141796E-14 GRAD(Rho)y -0.1857754E-13 GRAD(Rho)z -0.1578666E-18 Laplacian 0.7107343E+00 (-1/4)Del**2(Rho)) -0.1776836E+00 Diamond 0.1549378E+01 Metallicity 0.3530006E+01 Ellipticity 0.9009659E-02 Gb(Abramov) 0.2229930E+00 Vb(Abramov) -0.2683025E+00 Hb(Abramov) -0.4530948E-01 Ex_ueg -0.5216117E-01 Ec_ueg -0.7616616E-02 Delta_ex -0.7755077E-01 Delta_ec 0.2360989E-01 Delta_et -0.3205760E+00 Pxc 0.6848339E+01 Qxc -0.3284673E+01 3,-1 149 3 -1 -0.540876 0.720980 3.194433 Rho 0.1468131E+00 |GRAD(Rho)| 0.8592162E-13 GRAD(Rho)x -0.3227425E-13 GRAD(Rho)y -0.7621602E-13 GRAD(Rho)z -0.2306547E-13 Laplacian 0.6133858E+00 (-1/4)Del**2(Rho)) -0.1533465E+00 Diamond 0.1209422E+01 Metallicity 0.4590083E+01 Ellipticity 0.1589080E-01 Gb(Abramov) 0.2195431E+00 Vb(Abramov) -0.2857398E+00 Hb(Abramov) -0.6619667E-01 Ex_ueg -0.5720113E-01 Ec_ueg -0.8239816E-02 Delta_ex -0.6550553E-01 Delta_ec 0.1561029E-01 Delta_et -0.2070958E+00 Pxc 0.6942039E+01 Qxc -0.4196306E+01 3,-1 150 3 +1 1.766233 2.475310 -0.000000 Rho 0.1239786E-01 |GRAD(Rho)| 0.3983808E-17 GRAD(Rho)x -0.6659929E-18 GRAD(Rho)y 0.1185787E-17 GRAD(Rho)z 0.3744475E-17 Laplacian 0.6204337E-01 (-1/4)Del**2(Rho)) -0.1551084E-01 Diamond 0.2558169E-02 Metallicity 0.7376133E+00 Ellipticity -0.1241807E+01 Gb(Abramov) 0.1224740E-01 Vb(Abramov) -0.8983948E-02 Hb(Abramov) 0.3263447E-02 Ex_ueg -0.2119242E-02 Ec_ueg -0.4779664E-03 Delta_ex -0.3064559E-02 Delta_ec 0.7847341E-03 Delta_et -0.5946794E-02 Pxc 0.4433871E+01 Qxc -0.3905220E+01 3,+1 151 3 -1 1.993555 1.534490 -2.718172 Rho 0.1363315E+00 |GRAD(Rho)| 0.1697829E-13 GRAD(Rho)x 0.1332166E-13 GRAD(Rho)y 0.1049133E-13 GRAD(Rho)z 0.8531451E-15 Laplacian 0.5346690E+00 (-1/4)Del**2(Rho)) -0.1336673E+00 Diamond 0.9724061E+00 Metallicity 0.4654309E+01 Ellipticity 0.3282900E-01 Gb(Abramov) 0.1927996E+00 Vb(Abramov) -0.2519320E+00 Hb(Abramov) -0.5913237E-01 Ex_ueg -0.5182191E-01 Ec_ueg -0.7574361E-02 Delta_ex -0.5616620E-01 Delta_ec 0.1401615E-01 Delta_et -0.1842365E+00 Pxc 0.6841753E+01 Qxc -0.4007249E+01 3,-1 152 3 -1 -0.856027 3.532197 -0.721864 Rho 0.1568746E+00 |GRAD(Rho)| 0.3909311E-15 GRAD(Rho)x -0.3160178E-15 GRAD(Rho)y -0.8936536E-16 GRAD(Rho)z -0.2120699E-15 Laplacian 0.6120405E+00 (-1/4)Del**2(Rho)) -0.1530101E+00 Diamond 0.1314738E+01 Metallicity 0.5137526E+01 Ellipticity 0.4987175E-01 Gb(Abramov) 0.2330223E+00 Vb(Abramov) -0.3130345E+00 Hb(Abramov) -0.8001220E-01 Ex_ueg -0.6248683E-01 Ec_ueg -0.8885029E-02 Delta_ex -0.6651251E-01 Delta_ec 0.1545393E-01 Delta_et -0.2072140E+00 Pxc 0.7032823E+01 Qxc -0.4303921E+01 3,-1 153 3 -1 -0.856027 3.532197 0.721864 Rho 0.1568746E+00 |GRAD(Rho)| 0.2240056E-15 GRAD(Rho)x 0.3659182E-16 GRAD(Rho)y -0.7629903E-16 GRAD(Rho)z -0.2074079E-15 Laplacian 0.6120405E+00 (-1/4)Del**2(Rho)) -0.1530101E+00 Diamond 0.1314738E+01 Metallicity 0.5137526E+01 Ellipticity 0.4987175E-01 Gb(Abramov) 0.2330223E+00 Vb(Abramov) -0.3130345E+00 Hb(Abramov) -0.8001220E-01 Ex_ueg -0.6248683E-01 Ec_ueg -0.8885029E-02 Delta_ex -0.6651251E-01 Delta_ec 0.1545393E-01 Delta_et -0.2072140E+00 Pxc 0.7032823E+01 Qxc -0.4303921E+01 3,-1 154 3 -1 -2.090363 -2.961436 -1.673422 Rho 0.2314506E+00 |GRAD(Rho)| 0.4166287E-15 GRAD(Rho)x 0.2061881E-15 GRAD(Rho)y 0.3616898E-15 GRAD(Rho)z 0.1569552E-16 Laplacian 0.8804876E+00 (-1/4)Del**2(Rho)) -0.2201219E+00 Diamond 0.2955728E+01 Metallicity 0.6828423E+01 Ellipticity 0.1013127E-01 Gb(Abramov) 0.3972622E+00 Vb(Abramov) -0.5744024E+00 Hb(Abramov) -0.1771403E+00 Ex_ueg -0.1049533E+00 Ec_ueg -0.1385012E-01 Delta_ex -0.1052385E+00 Delta_ec 0.1940691E-01 Delta_et -0.2673772E+00 Pxc 0.7577791E+01 Qxc -0.5422731E+01 3,-1 155 3 -1 -2.090363 -2.961436 1.673422 Rho 0.2314506E+00 |GRAD(Rho)| 0.7452806E-15 GRAD(Rho)x 0.5854692E-16 GRAD(Rho)y 0.7427869E-15 GRAD(Rho)z -0.1682207E-16 Laplacian 0.8804876E+00 (-1/4)Del**2(Rho)) -0.2201219E+00 Diamond 0.2955728E+01 Metallicity 0.6828423E+01 Ellipticity 0.1013127E-01 Gb(Abramov) 0.3972622E+00 Vb(Abramov) -0.5744024E+00 Hb(Abramov) -0.1771403E+00 Ex_ueg -0.1049533E+00 Ec_ueg -0.1385012E-01 Delta_ex -0.1052385E+00 Delta_ec 0.1940691E-01 Delta_et -0.2673772E+00 Pxc 0.7577791E+01 Qxc -0.5422731E+01 3,-1 156 3 -1 0.037665 2.065534 2.103695 Rho 0.6234367E-02 |GRAD(Rho)| 0.9395290E-18 GRAD(Rho)x 0.2135441E-18 GRAD(Rho)y -0.7396216E-18 GRAD(Rho)z 0.5385848E-18 Laplacian 0.2524498E-01 (-1/4)Del**2(Rho)) -0.6311245E-02 Diamond 0.9141533E-03 Metallicity 0.5764461E+00 Ellipticity 0.2098425E+01 Gb(Abramov) 0.4813845E-02 Vb(Abramov) -0.3316446E-02 Hb(Abramov) 0.1497400E-02 Ex_ueg -0.8474385E-03 Ec_ueg -0.2004134E-03 Delta_ex -0.1395078E-02 Delta_ec 0.9456495E-03 Delta_et -0.5427609E-02 Pxc 0.4228453E+01 Qxc -0.1475259E+01 3,-1 157 3 +1 1.659237 -2.801112 -0.000000 Rho 0.7235815E-02 |GRAD(Rho)| 0.8698493E-14 GRAD(Rho)x 0.5438117E-14 GRAD(Rho)y 0.6789011E-14 GRAD(Rho)z 0.4843172E-18 Laplacian 0.3224665E-01 (-1/4)Del**2(Rho)) -0.8061662E-02 Diamond 0.1075076E-02 Metallicity 0.5784613E+00 Ellipticity -0.1967440E+01 Gb(Abramov) 0.6151668E-02 Vb(Abramov) -0.4241674E-02 Hb(Abramov) 0.1909994E-02 Ex_ueg -0.1033638E-02 Ec_ueg -0.2443625E-03 Delta_ex -0.1633509E-02 Delta_ec 0.8517123E-03 Delta_et -0.5228561E-02 Pxc 0.4229935E+01 Qxc -0.1917912E+01 3,+1 158 3 -1 2.744512 -1.683236 -0.857406 Rho 0.1415762E+00 |GRAD(Rho)| 0.1093370E-15 GRAD(Rho)x 0.9460342E-16 GRAD(Rho)y 0.1019828E-17 GRAD(Rho)z 0.5480642E-16 Laplacian 0.5817665E+00 (-1/4)Del**2(Rho)) -0.1454416E+00 Diamond 0.1110370E+01 Metallicity 0.4555277E+01 Ellipticity 0.7373139E-02 Gb(Abramov) 0.2073822E+00 Vb(Abramov) -0.2693228E+00 Hb(Abramov) -0.6194060E-01 Ex_ueg -0.5449692E-01 Ec_ueg -0.7906468E-02 Delta_ex -0.6171113E-01 Delta_ec 0.1517397E-01 Delta_et -0.2007482E+00 Pxc 0.6892701E+01 Qxc -0.4066908E+01 3,-1 159 3 -1 2.744512 -1.683236 0.857406 Rho 0.1415762E+00 |GRAD(Rho)| 0.3420319E-13 GRAD(Rho)x 0.4877229E-14 GRAD(Rho)y -0.1272171E-13 GRAD(Rho)z 0.3137242E-13 Laplacian 0.5817665E+00 (-1/4)Del**2(Rho)) -0.1454416E+00 Diamond 0.1110370E+01 Metallicity 0.4555277E+01 Ellipticity 0.7373139E-02 Gb(Abramov) 0.2073822E+00 Vb(Abramov) -0.2693228E+00 Hb(Abramov) -0.6194060E-01 Ex_ueg -0.5449692E-01 Ec_ueg -0.7906468E-02 Delta_ex -0.6171113E-01 Delta_ec 0.1517397E-01 Delta_et -0.2007482E+00 Pxc 0.6892701E+01 Qxc -0.4066908E+01 3,-1 160 3 -1 3.224750 -2.269743 -2.202811 Rho 0.2251401E+00 |GRAD(Rho)| 0.1361686E-14 GRAD(Rho)x -0.5297954E-15 GRAD(Rho)y -0.1252579E-14 GRAD(Rho)z 0.6746448E-16 Laplacian 0.8376271E+00 (-1/4)Del**2(Rho)) -0.2094068E+00 Diamond 0.2743140E+01 Metallicity 0.6854630E+01 Ellipticity 0.2072081E-01 Gb(Abramov) 0.3788388E+00 Vb(Abramov) -0.5482709E+00 Hb(Abramov) -0.1694321E+00 Ex_ueg -0.1011554E+00 Ec_ueg -0.1341795E-01 Delta_ex -0.9953301E-01 Delta_ec 0.1885255E-01 Delta_et -0.2604326E+00 Pxc 0.7538813E+01 Qxc -0.5279550E+01 3,-1 161 3 -1 3.224750 -2.269743 2.202811 Rho 0.2251401E+00 |GRAD(Rho)| 0.1428842E-14 GRAD(Rho)x -0.6289457E-15 GRAD(Rho)y -0.1276865E-14 GRAD(Rho)z -0.1250356E-15 Laplacian 0.8376271E+00 (-1/4)Del**2(Rho)) -0.2094068E+00 Diamond 0.2743140E+01 Metallicity 0.6854630E+01 Ellipticity 0.2072081E-01 Gb(Abramov) 0.3788388E+00 Vb(Abramov) -0.5482709E+00 Hb(Abramov) -0.1694321E+00 Ex_ueg -0.1011554E+00 Ec_ueg -0.1341795E-01 Delta_ex -0.9953301E-01 Delta_ec 0.1885255E-01 Delta_et -0.2604326E+00 Pxc 0.7538813E+01 Qxc -0.5279550E+01 3,-1 162 3 -1 -0.538471 -0.674323 -3.164422 Rho 0.1460713E+00 |GRAD(Rho)| 0.5412630E-15 GRAD(Rho)x -0.4463931E-15 GRAD(Rho)y -0.2825566E-15 GRAD(Rho)z 0.1177308E-15 Laplacian 0.6205622E+00 (-1/4)Del**2(Rho)) -0.1551405E+00 Diamond 0.1218953E+01 Metallicity 0.4498861E+01 Ellipticity 0.1626524E-01 Gb(Abramov) 0.2197530E+00 Vb(Abramov) -0.2843654E+00 Hb(Abramov) -0.6461245E-01 Ex_ueg -0.5681611E-01 Ec_ueg -0.8192496E-02 Delta_ex -0.6621860E-01 Delta_ec 0.1586433E-01 Delta_et -0.2104290E+00 Pxc 0.6935141E+01 Qxc -0.4174056E+01 3,-1 163 3 -1 -0.538471 -0.674323 3.164422 Rho 0.1460713E+00 |GRAD(Rho)| 0.6484684E-16 GRAD(Rho)x 0.2303930E-16 GRAD(Rho)y -0.1088268E-16 GRAD(Rho)z 0.5963112E-16 Laplacian 0.6205622E+00 (-1/4)Del**2(Rho)) -0.1551405E+00 Diamond 0.1218953E+01 Metallicity 0.4498861E+01 Ellipticity 0.1626524E-01 Gb(Abramov) 0.2197530E+00 Vb(Abramov) -0.2843654E+00 Hb(Abramov) -0.6461245E-01 Ex_ueg -0.5681611E-01 Ec_ueg -0.8192496E-02 Delta_ex -0.6621860E-01 Delta_ec 0.1586433E-01 Delta_et -0.2104290E+00 Pxc 0.6935141E+01 Qxc -0.4174056E+01 3,-1 164 3 -1 -0.059120 0.008139 4.448662 Rho 0.2322380E+00 |GRAD(Rho)| 0.1676498E-12 GRAD(Rho)x 0.3347585E-13 GRAD(Rho)y 0.1697385E-14 GRAD(Rho)z -0.1642649E-12 Laplacian 0.8774194E+00 (-1/4)Del**2(Rho)) -0.2193548E+00 Diamond 0.2964032E+01 Metallicity 0.6891196E+01 Ellipticity 0.2141171E-02 Gb(Abramov) 0.3981728E+00 Vb(Abramov) -0.5769907E+00 Hb(Abramov) -0.1788179E+00 Ex_ueg -0.1054296E+00 Ec_ueg -0.1390420E-01 Delta_ex -0.1050010E+00 Delta_ec 0.1938496E-01 Delta_et -0.2673875E+00 Pxc 0.7582576E+01 Qxc -0.5416622E+01 3,-1 165 3 -1 3.194873 2.338664 -2.220152 Rho 0.2330551E+00 |GRAD(Rho)| 0.9506374E-15 GRAD(Rho)x -0.7703256E-15 GRAD(Rho)y -0.2523481E-15 GRAD(Rho)z 0.4966188E-15 Laplacian 0.8536397E+00 (-1/4)Del**2(Rho)) -0.2134099E+00 Diamond 0.2916837E+01 Metallicity 0.7124750E+01 Ellipticity 0.7827621E-02 Gb(Abramov) 0.3956887E+00 Vb(Abramov) -0.5779674E+00 Hb(Abramov) -0.1822787E+00 Ex_ueg -0.1059245E+00 Ec_ueg -0.1396035E-01 Delta_ex -0.1023647E+00 Delta_ec 0.1904692E-01 Delta_et -0.2636479E+00 Pxc 0.7587525E+01 Qxc -0.5374342E+01 3,-1 166 3 -1 0.539172 3.196996 -0.686701 Rho 0.1392698E+00 |GRAD(Rho)| 0.3488849E-13 GRAD(Rho)x -0.3337291E-13 GRAD(Rho)y 0.7001358E-14 GRAD(Rho)z -0.7378145E-14 Laplacian 0.5835845E+00 (-1/4)Del**2(Rho)) -0.1458961E+00 Diamond 0.1088157E+01 Metallicity 0.4418461E+01 Ellipticity 0.1276151E-01 Gb(Abramov) 0.2047035E+00 Vb(Abramov) -0.2635108E+00 Hb(Abramov) -0.5880735E-01 Ex_ueg -0.5331642E-01 Ec_ueg -0.7760206E-02 Delta_ex -0.6161431E-01 Delta_ec 0.1520510E-01 Delta_et -0.2004974E+00 Pxc 0.6870491E+01 Qxc -0.4052214E+01 3,-1 167 3 -1 0.539172 3.196996 0.686701 Rho 0.1392698E+00 |GRAD(Rho)| 0.2939364E-13 GRAD(Rho)x 0.2350622E-13 GRAD(Rho)y 0.1000109E-14 GRAD(Rho)z -0.1761940E-13 Laplacian 0.5835845E+00 (-1/4)Del**2(Rho)) -0.1458961E+00 Diamond 0.1088157E+01 Metallicity 0.4418461E+01 Ellipticity 0.1276151E-01 Gb(Abramov) 0.2047035E+00 Vb(Abramov) -0.2635108E+00 Hb(Abramov) -0.5880735E-01 Ex_ueg -0.5331642E-01 Ec_ueg -0.7760206E-02 Delta_ex -0.6161431E-01 Delta_ec 0.1520510E-01 Delta_et -0.2004974E+00 Pxc 0.6870491E+01 Qxc -0.4052214E+01 3,-1 168 3 -1 -2.962785 -2.144246 -0.770825 Rho 0.1402570E+00 |GRAD(Rho)| 0.3042925E-14 GRAD(Rho)x 0.1534322E-14 GRAD(Rho)y -0.5219586E-16 GRAD(Rho)z -0.2627266E-14 Laplacian 0.5329806E+00 (-1/4)Del**2(Rho)) -0.1332452E+00 Diamond 0.1015043E+01 Metallicity 0.4895262E+01 Ellipticity 0.5174068E-01 Gb(Abramov) 0.1975418E+00 Vb(Abramov) -0.2618383E+00 Hb(Abramov) -0.6429660E-01 Ex_ueg -0.5382091E-01 Ec_ueg -0.7822768E-02 Delta_ex -0.5650745E-01 Delta_ec 0.1411132E-01 Delta_et -0.1867904E+00 Pxc 0.6880034E+01 Qxc -0.4004407E+01 3,-1 169 3 -1 -2.962785 -2.144246 0.770825 Rho 0.1402570E+00 |GRAD(Rho)| 0.2503907E-14 GRAD(Rho)x 0.1056514E-14 GRAD(Rho)y -0.8773466E-15 GRAD(Rho)z 0.2093703E-14 Laplacian 0.5329806E+00 (-1/4)Del**2(Rho)) -0.1332452E+00 Diamond 0.1015043E+01 Metallicity 0.4895262E+01 Ellipticity 0.5174068E-01 Gb(Abramov) 0.1975418E+00 Vb(Abramov) -0.2618383E+00 Hb(Abramov) -0.6429660E-01 Ex_ueg -0.5382091E-01 Ec_ueg -0.7822768E-02 Delta_ex -0.5650745E-01 Delta_ec 0.1411132E-01 Delta_et -0.1867904E+00 Pxc 0.6880034E+01 Qxc -0.4004407E+01 3,-1 170 3 -1 0.859267 0.744788 -3.483323 Rho 0.1413281E+00 |GRAD(Rho)| 0.3590346E-13 GRAD(Rho)x 0.7881133E-14 GRAD(Rho)y -0.3500389E-13 GRAD(Rho)z -0.1293843E-14 Laplacian 0.5564228E+00 (-1/4)Del**2(Rho)) -0.1391057E+00 Diamond 0.1052938E+01 Metallicity 0.4748858E+01 Ellipticity 0.4594649E-01 Gb(Abramov) 0.2028360E+00 Vb(Abramov) -0.2665663E+00 Hb(Abramov) -0.6373029E-01 Ex_ueg -0.5436964E-01 Ec_ueg -0.7890720E-02 Delta_ex -0.5892401E-01 Delta_ec 0.1438770E-01 Delta_et -0.1900213E+00 Pxc 0.6890327E+01 Qxc -0.4095443E+01 3,-1 171 3 -1 1.863553 -2.525459 1.663970 Rho 0.2347642E+00 |GRAD(Rho)| 0.1220228E-13 GRAD(Rho)x 0.8010953E-14 GRAD(Rho)y 0.8936645E-14 GRAD(Rho)z 0.2203776E-14 Laplacian 0.9043114E+00 (-1/4)Del**2(Rho)) -0.2260778E+00 Diamond 0.3083959E+01 Metallicity 0.6807926E+01 Ellipticity 0.1220591E-01 Gb(Abramov) 0.4072388E+00 Vb(Abramov) -0.5883997E+00 Hb(Abramov) -0.1811609E+00 Ex_ueg -0.1069615E+00 Ec_ueg -0.1407793E-01 Delta_ex -0.1084649E+00 Delta_ec 0.1980843E-01 Delta_et -0.2728741E+00 Pxc 0.7597816E+01 Qxc -0.5475693E+01 3,-1 172 3 -1 1.863553 -2.525459 -1.663970 Rho 0.2347642E+00 |GRAD(Rho)| 0.5957985E-13 GRAD(Rho)x -0.2466538E-13 GRAD(Rho)y -0.4955671E-13 GRAD(Rho)z 0.2203429E-13 Laplacian 0.9043114E+00 (-1/4)Del**2(Rho)) -0.2260778E+00 Diamond 0.3083959E+01 Metallicity 0.6807926E+01 Ellipticity 0.1220591E-01 Gb(Abramov) 0.4072388E+00 Vb(Abramov) -0.5883997E+00 Hb(Abramov) -0.1811609E+00 Ex_ueg -0.1069615E+00 Ec_ueg -0.1407793E-01 Delta_ex -0.1084649E+00 Delta_ec 0.1980843E-01 Delta_et -0.2728741E+00 Pxc 0.7597816E+01 Qxc -0.5475693E+01 3,-1 173 3 -1 1.430182 -3.047322 0.000000 Rho 0.7508912E-02 |GRAD(Rho)| 0.7589141E-14 GRAD(Rho)x 0.6723088E-14 GRAD(Rho)y 0.3520674E-14 GRAD(Rho)z 0.5029551E-18 Laplacian 0.3072214E-01 (-1/4)Del**2(Rho)) -0.7680535E-02 Diamond 0.1596234E-02 Metallicity 0.6458377E+00 Ellipticity 0.6241124E+00 Gb(Abramov) 0.5947087E-02 Vb(Abramov) -0.4213638E-02 Hb(Abramov) 0.1733449E-02 Ex_ueg -0.1085978E-02 Ec_ueg -0.2564295E-03 Delta_ex -0.1849228E-02 Delta_ec 0.1312188E-02 Delta_et -0.7917857E-02 Pxc 0.4234997E+01 Qxc -0.1409270E+01 3,-1 174 3 -1 -3.180332 -2.161456 -2.255612 Rho 0.2233356E+00 |GRAD(Rho)| 0.4429172E-15 GRAD(Rho)x 0.2599375E-15 GRAD(Rho)y 0.1842940E-15 GRAD(Rho)z 0.3076424E-15 Laplacian 0.8437803E+00 (-1/4)Del**2(Rho)) -0.2109451E+00 Diamond 0.2728174E+01 Metallicity 0.6713986E+01 Ellipticity 0.2499894E-01 Gb(Abramov) 0.3766771E+00 Vb(Abramov) -0.5424091E+00 Hb(Abramov) -0.1657320E+00 Ex_ueg -0.1000758E+00 Ec_ueg -0.1329476E-01 Delta_ex -0.1000055E+00 Delta_ec 0.1894616E-01 Delta_et -0.2612589E+00 Pxc 0.7527459E+01 Qxc -0.5278407E+01 3,-1 175 3 -1 -3.180332 -2.161456 2.255612 Rho 0.2233356E+00 |GRAD(Rho)| 0.6388925E-15 GRAD(Rho)x 0.4791089E-15 GRAD(Rho)y 0.1651240E-15 GRAD(Rho)z -0.3890659E-15 Laplacian 0.8437803E+00 (-1/4)Del**2(Rho)) -0.2109451E+00 Diamond 0.2728174E+01 Metallicity 0.6713986E+01 Ellipticity 0.2499894E-01 Gb(Abramov) 0.3766771E+00 Vb(Abramov) -0.5424091E+00 Hb(Abramov) -0.1657320E+00 Ex_ueg -0.1000758E+00 Ec_ueg -0.1329476E-01 Delta_ex -0.1000055E+00 Delta_ec 0.1894616E-01 Delta_et -0.2612589E+00 Pxc 0.7527459E+01 Qxc -0.5278407E+01 3,-1 176 3 -1 -0.504756 -0.585944 0.000000 Rho 0.1392890E+00 |GRAD(Rho)| 0.1178141E-13 GRAD(Rho)x 0.1017788E-13 GRAD(Rho)y 0.5921768E-14 GRAD(Rho)z -0.3808248E-15 Laplacian 0.7333018E+00 (-1/4)Del**2(Rho)) -0.1833254E+00 Diamond 0.1632060E+01 Metallicity 0.3517157E+01 Ellipticity 0.3451801E-01 Gb(Abramov) 0.2296810E+00 Vb(Abramov) -0.2760366E+00 Hb(Abramov) -0.4635560E-01 Ex_ueg -0.5332623E-01 Ec_ueg -0.7761422E-02 Delta_ex -0.8033236E-01 Delta_ec 0.2429806E-01 Delta_et -0.3310570E+00 Pxc 0.6870677E+01 Qxc -0.3306123E+01 3,-1 177 3 -1 -3.193384 2.207370 2.290343 Rho 0.2171768E+00 |GRAD(Rho)| 0.1295417E-12 GRAD(Rho)x 0.8644886E-13 GRAD(Rho)y -0.5049379E-13 GRAD(Rho)z -0.8220719E-13 Laplacian 0.8051677E+00 (-1/4)Del**2(Rho)) -0.2012919E+00 Diamond 0.2519582E+01 Metallicity 0.6715566E+01 Ellipticity 0.8456153E-02 Gb(Abramov) 0.3594928E+00 Vb(Abramov) -0.5176937E+00 Hb(Abramov) -0.1582009E+00 Ex_ueg -0.9641317E-01 Ec_ueg -0.1287570E-01 Delta_ex -0.9475539E-01 Delta_ec 0.1824989E-01 Delta_et -0.2513755E+00 Pxc 0.7487995E+01 Qxc -0.5192107E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 119 149 163 77 116 164 122 176 121 148 118 162 147 117 170 113 74 167 166 153 152 75 126 159 171 85 127 161 133 145 129 143 151 165 57 107 55 91 95 94 139 106 111 169 155 175 138 135 137 168 154 174 59 90 61 93 96 177 134 146 130 144 81 132 124 158 172 87 123 160 88 173 103 156 140 98 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 18 21 21 22 25 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 20 28 36 24 27 37 2.325930 1.922962 1.921759 1.947799 1.936565 1.755358 1.666011 1.650425 1.666011 1.659556 2.325930 1.921759 1.922962 1.936565 1.947799 1.755358 2.347339 1.943336 1.943336 1.909078 1.909078 1.760615 2.381687 1.936259 1.751734 2.177559 1.986466 1.767774 2.495579 1.937577 1.948022 1.851477 1.961890 1.754523 2.398793 1.806742 1.962189 1.962381 2.045599 1.754759 2.251387 2.253092 1.955723 1.953623 1.756377 1.770902 2.251387 2.253092 1.955723 1.953623 1.756377 1.770902 2.398793 1.806742 1.962189 1.962381 2.045599 1.754759 2.495579 1.937577 1.948022 1.851477 1.961890 1.754523 2.381687 1.936259 1.751734 2.177559 1.986466 1.767774 3.266579 3.026502 3.204531 3.187618 3.187618 3.204531 2.326597 1.923422 1.922096 1.948295 1.937064 1.755369 1.666028 1.650472 1.666027 1.659562 2.326598 1.922097 1.923424 1.937108 1.948297 1.755369 2.348091 1.943698 1.943699 1.909463 1.909464 1.760628 2.382371 1.936632 1.751760 2.177995 1.986974 1.767790 2.496129 1.937965 1.948428 1.851861 1.962364 1.754534 2.399322 1.807216 1.962643 1.962991 2.046311 1.754787 2.252311 2.253452 1.956095 1.954137 1.756390 1.770925 2.252309 2.253452 1.956125 1.954138 1.756390 1.770927 2.399320 1.807220 1.962644 1.962988 2.046314 1.754785 2.496128 1.937964 1.948426 1.851861 1.962363 1.754533 2.382372 1.936678 1.751763 2.177996 1.986977 1.767791 3.268911 3.038494 3.207200 3.191932 3.191932 3.207200 27 23 23 23 23 21 21 22 21 21 27 23 23 25 23 21 27 23 23 23 23 23 27 23 22 25 23 23 29 23 23 23 23 21 27 23 24 26 24 22 30 26 23 23 24 22 29 26 25 23 22 24 27 24 26 24 27 23 29 23 23 23 23 23 27 29 24 25 25 22 35 33 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W Si W W W W Mo W W Mo W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4344 2.3594 2.4344 2.4264 2.3287 2.4099 2.2580 2.3620 2.3620 2.2580 2.4099 2.3287 -1.1624 -1.1192 -1.1624 -1.1474 -0.8576 -0.9958 -0.8576 -0.9772 -0.7834 -0.9712 -0.9841 -0.9423 -0.9423 -0.9841 -0.9712 -0.7834 -0.9675 -1.0156 -0.9675 -0.9387 -0.9878 -0.9973 -0.9632 -0.8266 -0.8266 -0.9632 -0.9973 -0.9878 -0.8377 -0.8748 -0.8377 -0.8563 -0.8748 -0.8467 -0.7864 -0.8718 -0.8718 -0.7864 -0.8467 2.1050 2.3212 2.1050 2.0998 2.1407 2.1105 1.9516 2.1446 2.1446 1.9516 2.1105 2.1407 1.8986 1.8993 1.8986 1.8969 1.9545 1.9301 1.9545 1.9293 1.9653 1.9301 1.9291 1.9334 1.9334 1.9291 1.9301 1.9653 1.9424 1.9380 1.9424 1.9419 1.9374 1.9382 1.9408 1.9535 1.9535 1.9408 1.9382 1.9374 1.9573 1.9520 1.9573 1.9532 1.9520 1.9566 1.9637 1.9509 1.9509 1.9637 1.9566 6.1026 6.7389 6.1026 6.1012 6.1201 6.1059 6.1071 6.0988 6.0988 6.1071 6.1059 6.1201 5.2358 5.1932 5.2358 5.2221 4.8743 5.0357 4.8743 5.0181 4.7830 5.0124 5.0257 4.9811 4.9811 5.0257 5.0124 4.7830 4.9955 5.0450 4.9955 4.9695 5.0189 5.0280 4.9943 4.8407 4.8407 4.9943 5.0280 5.0189 4.8477 4.8921 4.8477 4.8712 4.8921 4.8573 4.7936 4.8904 4.8904 4.7936 4.8573 3.3276 0.5805 3.3276 3.3422 3.3816 3.3440 3.6832 3.3657 3.3657 3.6832 3.3440 3.3816 0.0280 0.0267 0.0280 0.0283 0.0288 0.0300 0.0288 0.0298 0.0351 0.0287 0.0293 0.0278 0.0278 0.0293 0.0287 0.0351 0.0296 0.0326 0.0296 0.0274 0.0316 0.0312 0.0281 0.0324 0.0324 0.0281 0.0312 0.0316 0.0327 0.0308 0.0327 0.0319 0.0308 0.0328 0.0291 0.0305 0.0305 0.0291 0.0328 14.0303 0.0000 14.0303 14.0304 14.0289 14.0299 0.0000 14.0289 14.0289 0.0000 14.0299 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W Si W W W W Mo W W Mo W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.515376 1.778934 2.515376 2.510143 2.468868 2.499009 3.164919 2.493402 2.493402 3.164919 2.499009 2.468868 -1.059690 -1.016973 -1.059690 -1.147073 -1.089400 -0.992459 -1.089400 -0.983467 -0.848697 -0.988790 -0.978041 -1.092319 -1.092319 -0.978041 -0.988790 -0.848697 -0.982453 -0.987499 -0.982453 -1.208848 -0.982876 -0.986104 -1.082786 -0.879735 -0.879735 -1.082786 -0.986104 -0.982876 -0.881554 -0.929780 -0.881554 -0.907079 -0.929780 -0.892891 -1.067018 -0.922279 -0.922279 -1.067018 -0.892891 1.936482 1.383771 1.936482 1.927528 1.930423 1.923144 2.346185 1.955667 1.955667 2.346185 1.923144 1.930423 -0.721623 -0.715653 -0.721623 -0.835077 -0.843523 -0.728247 -0.843523 -0.736393 -0.739549 -0.727765 -0.713500 -0.829525 -0.829525 -0.713500 -0.727765 -0.739549 -0.840244 -0.804114 -0.840244 -0.978960 -0.813085 -0.816864 -0.915261 -0.790773 -0.790773 -0.915261 -0.816864 -0.813085 -0.798185 -0.857868 -0.798185 -0.821682 -0.857868 -0.811330 -0.864668 -0.853727 -0.853727 -0.864668 -0.811330 2.039504 1.340669 2.039504 2.029598 2.020079 2.031667 2.433719 2.049700 2.049700 2.433719 2.031667 2.020079 -0.787738 -0.772407 -0.787738 -0.876949 -0.890854 -0.823658 -0.890854 -0.832447 -0.748711 -0.814009 -0.811642 -0.905755 -0.905755 -0.811642 -0.814009 -0.748711 -0.858925 -0.843675 -0.858925 -1.027918 -0.841745 -0.861665 -0.952332 -0.778960 -0.778960 -0.952332 -0.861665 -0.841745 -0.762202 -0.829466 -0.762202 -0.784035 -0.829466 -0.776905 -0.821756 -0.836592 -0.836592 -0.821756 -0.776905 0.19309891 0.97673336 -0.00000000 0.99563811 -20.47257647 -3.89109644 0.00000000 14.03210848 -0.00000000 6.44046800 -367.3882 405.2800 -19.3965 -402.3172 -76.6232 -460.4451 Apr28-2024 16:03:57 Nodes: 1 Procs: 1 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 0 Apr28-2024 16:03:58 Nodes: 1 Procs: 1 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 16:03:59 Nodes: 1 Procs: 1 Apr28-2024 16:04:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 16:04:00 Nodes: 1 Procs: 1 Apr28-2024 16:04:01 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr28-2024 16:04:03 Nodes: 1 Procs: 28 *** (NO TITLE) *** -8 -16.34242639 -16.74158406 -16.69939890 -16.75830685 -16.85558948 -16.89237773 -16.90379970 -16.90707862 -16.91408468 -16.91624094 -16.91787435 -16.91879544 -16.92037799 -16.92055398 -16.92089317 -16.92095688 -16.92099288 -16.92099762 -16.92101407 -16.92104532 GEOMETRY CONVERGED