ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:32 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 1.38 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:43 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.07 0.05 1.56 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 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:57 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.05 1.01 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 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Jun10-2024 15:29:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:08 Arsenic (TZP, 3p frozen) c11-31 c11-31 c11-31 c11-31 c11-31 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.34 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 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Jun10-2024 15:29:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:29 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2481.477600000002 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-0.977635 -0.968846 Rho 0.3190308E+03 3,-3 15 3 -3 0.983921 0.962222 -0.975673 Rho 0.3190197E+03 3,-3 16 3 -3 -0.962167 0.980052 0.990360 Rho 0.3190185E+03 3,-3 17 3 -3 -2.995460 -1.161188 1.121196 Rho 0.3188721E+03 3,-3 18 3 -3 3.014714 -1.157660 -1.124739 Rho 0.3188778E+03 3,-3 19 3 -3 -3.019366 1.173238 -1.159690 Rho 0.3190430E+03 3,-3 20 3 -3 2.992582 1.172798 1.153937 Rho 0.3189527E+03 3,-3 21 3 -3 1.182217 -1.140319 -3.000118 Rho 0.3189417E+03 3,-3 22 3 -3 1.160093 1.141949 3.026638 Rho 0.3189448E+03 3,-3 23 3 -3 -1.162489 1.140402 -3.015616 Rho 0.3190320E+03 3,-3 24 3 -3 -1.163895 -1.138335 2.986800 Rho 0.3188715E+03 3,-3 25 3 -3 -1.159250 3.002555 -1.171019 Rho 0.3190255E+03 3,-3 26 3 -3 -1.131060 -3.008901 1.163259 Rho 0.3188771E+03 3,-3 27 3 -3 1.129637 2.996826 1.167906 Rho 0.3188744E+03 3,-3 28 3 -3 1.148044 -2.999119 -1.159852 Rho 0.3189449E+03 3,-3 29 3 -3 3.416820 -1.534524 1.511558 Rho 0.3190663E+03 3,-3 30 3 -3 -3.414729 -1.555796 -1.519542 Rho 0.3190655E+03 3,-3 31 3 -3 3.411862 1.530135 -1.490122 Rho 0.3189853E+03 3,-3 32 3 -3 -3.415722 1.520367 1.482321 Rho 0.3190457E+03 3,-3 33 3 -3 1.524972 -1.498783 3.427024 Rho 0.3190455E+03 3,-3 34 3 -3 1.547831 1.503330 -3.413238 Rho 0.3190558E+03 3,-3 35 3 -3 -1.541938 1.506354 3.408010 Rho 0.3189840E+03 3,-3 36 3 -3 -1.519262 -1.500216 -3.423382 Rho 0.3191352E+03 3,-3 37 3 -3 -1.497517 -3.421603 -1.530271 Rho 0.3190499E+03 3,-3 38 3 -3 -1.504925 3.424150 1.544634 Rho 0.3190682E+03 3,-3 39 3 -3 1.509439 -3.413284 1.543452 Rho 0.3189846E+03 3,-3 40 3 -3 1.487268 3.410859 -1.518453 Rho 0.3190473E+03 3,-3 41 3 -3 -0.206159 -3.699332 3.799493 Rho 0.3194027E+03 3,-3 42 3 -3 0.204530 -3.705092 -3.807348 Rho 0.3195510E+03 3,-3 43 3 -3 -0.215156 3.698820 -3.808958 Rho 0.3195509E+03 3,-3 44 3 -3 0.220556 3.700156 3.799505 Rho 0.3194013E+03 3,-3 45 3 -3 3.701499 -3.794325 -0.212491 Rho 0.3194000E+03 3,-3 46 3 -3 3.694712 3.795477 0.202553 Rho 0.3194034E+03 3,-3 47 3 -3 -3.702984 3.822997 -0.197734 Rho 0.3195513E+03 3,-3 48 3 -3 -3.694327 -3.794049 0.216037 Rho 0.3194036E+03 3,-3 49 3 -3 -3.810636 0.211286 -3.704223 Rho 0.3195493E+03 3,-3 50 3 -3 -3.792641 -0.208116 3.689685 Rho 0.3194030E+03 3,-3 51 3 -3 3.810275 0.209165 3.711958 Rho 0.3195515E+03 3,-3 52 3 -3 3.797876 -0.213977 -3.698074 Rho 0.3194041E+03 3,-3 53 3 -3 -0.002727 -0.009843 0.001928 Rho 0.4276078E+05 3,-3 54 3 -1 1.702275 -1.756076 0.527393 Rho 0.4882870E-01 |GRAD(Rho)| 0.5715819E-16 GRAD(Rho)x -0.3828462E-16 GRAD(Rho)y 0.4052671E-16 GRAD(Rho)z 0.1260681E-16 Laplacian 0.1994071E+00 (-1/4)Del**2(Rho)) -0.4985178E-01 Diamond 0.9703595E-01 Metallicity 0.2254227E+01 Ellipticity 0.1250991E-01 Gb(Abramov) 0.5196406E-01 Vb(Abramov) -0.5407634E-01 Hb(Abramov) -0.2112281E-02 Ex_ueg -0.1318111E-01 Ec_ueg -0.2350231E-02 Delta_ex -0.1627859E-01 Delta_ec 0.5875610E-02 Delta_et -0.6155641E-01 Pxc 0.5608429E+01 Qxc -0.2770535E+01 3,-1 55 3 +1 -1.655705 -0.517721 0.546059 Rho 0.9234645E-02 |GRAD(Rho)| 0.7368076E-17 GRAD(Rho)x -0.5823484E-18 GRAD(Rho)y 0.6926344E-17 GRAD(Rho)z -0.2444418E-17 Laplacian 0.3583701E-01 (-1/4)Del**2(Rho)) -0.8959251E-02 Diamond 0.1039702E-02 Metallicity 0.7815950E+00 Ellipticity -0.1462928E+01 Gb(Abramov) 0.7139919E-02 Vb(Abramov) -0.5320586E-02 Hb(Abramov) 0.1819333E-02 Ex_ueg -0.1430909E-02 Ec_ueg -0.3334645E-03 Delta_ex -0.1660031E-02 Delta_ec 0.4917586E-03 Delta_et -0.3433042E-02 Pxc 0.4291038E+01 Qxc -0.3375704E+01 3,+1 56 3 +1 -2.907310 0.184811 0.151735 Rho 0.5309704E-02 |GRAD(Rho)| 0.4381588E-17 GRAD(Rho)x -0.2617775E-17 GRAD(Rho)y -0.3243125E-17 GRAD(Rho)z 0.1351929E-17 Laplacian 0.2190706E-01 (-1/4)Del**2(Rho)) -0.5476764E-02 Diamond 0.5230786E-03 Metallicity 0.5083306E+00 Ellipticity -0.2425230E+01 Gb(Abramov) 0.4115177E-02 Vb(Abramov) -0.2753590E-02 Hb(Abramov) 0.1361587E-02 Ex_ueg -0.6841407E-03 Ec_ueg -0.1602649E-03 Delta_ex -0.1075568E-02 Delta_ec 0.6427214E-03 Delta_et -0.3572960E-02 Pxc 0.4268813E+01 Qxc -0.1673460E+01 3,+1 57 3 +1 -0.147760 0.146696 2.891250 Rho 0.5501449E-02 |GRAD(Rho)| 0.5974081E-17 GRAD(Rho)x -0.4634109E-17 GRAD(Rho)y -0.3729574E-17 GRAD(Rho)z -0.5522246E-18 Laplacian 0.2248084E-01 (-1/4)Del**2(Rho)) -0.5620209E-02 Diamond 0.5944546E-03 Metallicity 0.5255281E+00 Ellipticity -0.3993359E+01 Gb(Abramov) 0.4239069E-02 Vb(Abramov) -0.2857929E-02 Hb(Abramov) 0.1381140E-02 Ex_ueg -0.7172786E-03 Ec_ueg -0.1685556E-03 Delta_ex -0.1137290E-02 Delta_ec 0.7054271E-03 Delta_et -0.3943492E-02 Pxc 0.4255441E+01 Qxc -0.1612200E+01 3,+1 58 3 +3 -1.105226 -1.117569 1.109147 Rho 0.5431745E-02 |GRAD(Rho)| 0.6372446E-13 GRAD(Rho)x -0.4426186E-13 GRAD(Rho)y 0.3133378E-13 GRAD(Rho)z -0.3346475E-13 Laplacian 0.2115956E-01 (-1/4)Del**2(Rho)) -0.5289889E-02 Diamond 0.1612584E-03 Metallicity 0.5466033E+00 Ellipticity -0.6544119E-01 Gb(Abramov) 0.4008504E-02 Vb(Abramov) -0.2727120E-02 Hb(Abramov) 0.1281385E-02 Ex_ueg -0.7051869E-03 Ec_ueg -0.1655396E-03 Delta_ex -0.7445456E-03 Delta_ec 0.8686356E-04 Delta_et -0.7155323E-03 Pxc 0.4259928E+01 Qxc -0.8571439E+01 3,+3 59 3 +1 -0.166151 2.887978 0.150366 Rho 0.5266835E-02 |GRAD(Rho)| 0.1750987E-12 GRAD(Rho)x 0.1808855E-13 GRAD(Rho)y 0.5483647E-13 GRAD(Rho)z -0.1653037E-12 Laplacian 0.2169865E-01 (-1/4)Del**2(Rho)) -0.5424661E-02 Diamond 0.5402673E-03 Metallicity 0.5063258E+00 Ellipticity -0.3288878E+01 Gb(Abramov) 0.4074215E-02 Vb(Abramov) -0.2723769E-02 Hb(Abramov) 0.1350446E-02 Ex_ueg -0.6767860E-03 Ec_ueg -0.1584138E-03 Delta_ex -0.1087688E-02 Delta_ec 0.6795857E-03 Delta_et -0.3750250E-02 Pxc 0.4272266E+01 Qxc -0.1600516E+01 3,+1 60 3 -1 -1.709202 -1.745882 -0.524707 Rho 0.4963871E-01 |GRAD(Rho)| 0.4875438E-12 GRAD(Rho)x 0.6410689E-14 GRAD(Rho)y 0.4446056E-12 GRAD(Rho)z 0.1999591E-12 Laplacian 0.2027056E+00 (-1/4)Del**2(Rho)) -0.5067640E-01 Diamond 0.1009922E+00 Metallicity 0.2279196E+01 Ellipticity 0.1254091E-01 Gb(Abramov) 0.5303451E-01 Vb(Abramov) -0.5539261E-01 Hb(Abramov) -0.2358106E-02 Ex_ueg -0.1347346E-01 Ec_ueg -0.2394913E-02 Delta_ex -0.1662183E-01 Delta_ec 0.5981350E-02 Delta_et -0.6293639E-01 Pxc 0.5625865E+01 Qxc -0.2778944E+01 3,-1 61 3 +3 -1.120815 1.110699 -1.107713 Rho 0.5002474E-02 |GRAD(Rho)| 0.1052688E-11 GRAD(Rho)x -0.5946977E-14 GRAD(Rho)y 0.1052390E-11 GRAD(Rho)z -0.2431119E-13 Laplacian 0.1929697E-01 (-1/4)Del**2(Rho)) -0.4824242E-02 Diamond 0.1362823E-03 Metallicity 0.5225150E+00 Ellipticity -0.6458745E-01 Gb(Abramov) 0.3636285E-02 Vb(Abramov) -0.2448327E-02 Hb(Abramov) 0.1187958E-02 Ex_ueg -0.6318754E-03 Ec_ueg -0.1470192E-03 Delta_ex -0.6681189E-03 Delta_ec 0.8738033E-04 Delta_et -0.6849520E-03 Pxc 0.4297909E+01 Qxc -0.7646102E+01 3,+3 62 3 -1 -1.702631 1.774133 0.548981 Rho 0.4135132E-01 |GRAD(Rho)| 0.9810134E-14 GRAD(Rho)x -0.1304873E-14 GRAD(Rho)y -0.5947666E-14 GRAD(Rho)z 0.7691639E-14 Laplacian 0.1747224E+00 (-1/4)Del**2(Rho)) -0.4368059E-01 Diamond 0.6979666E-01 Metallicity 0.1950205E+01 Ellipticity 0.9476092E-02 Gb(Abramov) 0.4331808E-01 Vb(Abramov) -0.4295557E-01 Hb(Abramov) 0.3625097E-03 Ex_ueg -0.1056098E-01 Ec_ueg -0.1942703E-02 Delta_ex -0.1379146E-01 Delta_ec 0.5349918E-02 Delta_et -0.5366512E-01 Pxc 0.5436231E+01 Qxc -0.2577883E+01 3,-1 63 3 -1 -2.966619 -2.029104 -0.851582 Rho 0.1301228E+00 |GRAD(Rho)| 0.3592443E-15 GRAD(Rho)x 0.3478256E-16 GRAD(Rho)y 0.1929677E-15 GRAD(Rho)z -0.3010152E-15 Laplacian 0.5109133E+00 (-1/4)Del**2(Rho)) -0.1277283E+00 Diamond 0.8790244E+00 Metallicity 0.4506662E+01 Ellipticity 0.2572431E-01 Gb(Abramov) 0.1810903E+00 Vb(Abramov) -0.2344522E+00 Hb(Abramov) -0.5336195E-01 Ex_ueg -0.4869932E-01 Ec_ueg -0.7183506E-02 Delta_ex -0.5307534E-01 Delta_ec 0.1355292E-01 Delta_et -0.1768364E+00 Pxc 0.6779325E+01 Qxc -0.3916156E+01 3,-1 64 3 +1 -0.527072 -0.538669 1.654699 Rho 0.9185533E-02 |GRAD(Rho)| 0.1308761E-12 GRAD(Rho)x -0.5036562E-13 GRAD(Rho)y -0.4843975E-13 GRAD(Rho)z 0.1106592E-12 Laplacian 0.3576368E-01 (-1/4)Del**2(Rho)) -0.8940919E-02 Diamond 0.1035748E-02 Metallicity 0.7762679E+00 Ellipticity -0.1462942E+01 Gb(Abramov) 0.7117371E-02 Vb(Abramov) -0.5293823E-02 Hb(Abramov) 0.1823548E-02 Ex_ueg -0.1420771E-02 Ec_ueg -0.3312540E-03 Delta_ex -0.1656727E-02 Delta_ec 0.4949494E-03 Delta_et -0.3447215E-02 Pxc 0.4289069E+01 Qxc -0.3347266E+01 3,+1 65 3 +1 -2.889234 -0.153559 -0.178368 Rho 0.5352044E-02 |GRAD(Rho)| 0.4589476E-17 GRAD(Rho)x -0.1638263E-17 GRAD(Rho)y 0.4152897E-17 GRAD(Rho)z -0.1064344E-17 Laplacian 0.2206791E-01 (-1/4)Del**2(Rho)) -0.5516978E-02 Diamond 0.5565097E-03 Metallicity 0.5113498E+00 Ellipticity -0.3247674E+01 Gb(Abramov) 0.4148170E-02 Vb(Abramov) -0.2779361E-02 Hb(Abramov) 0.1368808E-02 Ex_ueg -0.6914243E-03 Ec_ueg -0.1620940E-03 Delta_ex -0.1105477E-02 Delta_ec 0.6836712E-03 Delta_et -0.3794006E-02 Pxc 0.4265576E+01 Qxc -0.1616972E+01 3,+1 66 3 -1 -3.025311 -0.868285 -1.967863 Rho 0.1419527E+00 |GRAD(Rho)| 0.2372755E-15 GRAD(Rho)x 0.7514876E-17 GRAD(Rho)y 0.1768876E-15 GRAD(Rho)z -0.1579683E-15 Laplacian 0.5541256E+00 (-1/4)Del**2(Rho)) -0.1385314E+00 Diamond 0.1042620E+01 Metallicity 0.4803720E+01 Ellipticity 0.5961459E-01 Gb(Abramov) 0.2032653E+00 Vb(Abramov) -0.2679991E+00 Hb(Abramov) -0.6473387E-01 Ex_ueg -0.5469025E-01 Ec_ueg -0.7930377E-02 Delta_ex -0.5862011E-01 Delta_ec 0.1409199E-01 Delta_et -0.1857707E+00 Pxc 0.6896299E+01 Qxc -0.4159819E+01 3,-1 67 3 -1 -3.147390 3.272177 -0.047255 Rho 0.2419624E+00 |GRAD(Rho)| 0.6259620E-14 GRAD(Rho)x 0.4061909E-14 GRAD(Rho)y -0.3024653E-14 GRAD(Rho)z 0.3679023E-14 Laplacian 0.8607976E+00 (-1/4)Del**2(Rho)) -0.2151994E+00 Diamond 0.3091518E+01 Metallicity 0.7521285E+01 Ellipticity 0.2456873E-02 Gb(Abramov) 0.4132289E+00 Vb(Abramov) -0.6112584E+00 Hb(Abramov) -0.1980295E+00 Ex_ueg -0.1113565E+00 Ec_ueg -0.1457488E-01 Delta_ex -0.1043136E+00 Delta_ec 0.1913088E-01 Delta_et -0.2657858E+00 Pxc 0.7640306E+01 Qxc -0.5452631E+01 3,-1 68 3 +3 -0.016372 -2.326730 -0.023608 Rho 0.4818236E-02 |GRAD(Rho)| 0.3504983E-16 GRAD(Rho)x 0.1773263E-16 GRAD(Rho)y 0.2568310E-16 GRAD(Rho)z 0.1595063E-16 Laplacian 0.1963950E-01 (-1/4)Del**2(Rho)) -0.4909876E-02 Diamond 0.1859117E-03 Metallicity 0.4822764E+00 Ellipticity -0.3295277E+00 Gb(Abramov) 0.3667903E-02 Vb(Abramov) -0.2425931E-02 Hb(Abramov) 0.1241972E-02 Ex_ueg -0.6010387E-03 Ec_ueg -0.1390991E-03 Delta_ex -0.7257860E-03 Delta_ec 0.1832584E-03 Delta_et -0.1160866E-02 Pxc 0.4320938E+01 Qxc -0.3960452E+01 3,+3 69 3 -1 -2.786240 -0.563931 1.764222 Rho 0.1440318E+00 |GRAD(Rho)| 0.1133185E-15 GRAD(Rho)x -0.8897234E-17 GRAD(Rho)y 0.8225029E-16 GRAD(Rho)z 0.7743914E-16 Laplacian 0.6072644E+00 (-1/4)Del**2(Rho)) -0.1518161E+00 Diamond 0.1170402E+01 Metallicity 0.4490893E+01 Ellipticity 0.9816787E-02 Gb(Abramov) 0.2148424E+00 Vb(Abramov) -0.2778686E+00 Hb(Abramov) -0.6302628E-01 Ex_ueg -0.5576088E-01 Ec_ueg -0.8062565E-02 Delta_ex -0.6455129E-01 Delta_ec 0.1553209E-01 Delta_et -0.2055023E+00 Pxc 0.6916022E+01 Qxc -0.4155996E+01 3,-1 70 3 +1 -0.531806 -1.668639 0.535125 Rho 0.9132701E-02 |GRAD(Rho)| 0.8591051E-17 GRAD(Rho)x 0.3095277E-17 GRAD(Rho)y -0.7938730E-17 GRAD(Rho)z 0.1096348E-17 Laplacian 0.3551191E-01 (-1/4)Del**2(Rho)) -0.8877977E-02 Diamond 0.1016254E-02 Metallicity 0.7742916E+00 Ellipticity -0.1457455E+01 Gb(Abramov) 0.7064342E-02 Vb(Abramov) -0.5250707E-02 Hb(Abramov) 0.1813635E-02 Ex_ueg -0.1409886E-02 Ec_ueg -0.3288772E-03 Delta_ex -0.1640922E-02 Delta_ec 0.4883915E-03 Delta_et -0.3399033E-02 Pxc 0.4286969E+01 Qxc -0.3359850E+01 3,+1 71 3 +1 -0.530129 1.665634 -0.540766 Rho 0.8456523E-02 |GRAD(Rho)| 0.1224519E-16 GRAD(Rho)x -0.7941910E-17 GRAD(Rho)y 0.4978972E-17 GRAD(Rho)z 0.7879117E-17 Laplacian 0.3268336E-01 (-1/4)Del**2(Rho)) -0.8170839E-02 Diamond 0.8778889E-03 Metallicity 0.7400702E+00 Ellipticity -0.1480308E+01 Gb(Abramov) 0.6455058E-02 Vb(Abramov) -0.4739278E-02 Hb(Abramov) 0.1715781E-02 Ex_ueg -0.1272450E-02 Ec_ueg -0.2985651E-03 Delta_ex -0.1497391E-02 Delta_ec 0.4788838E-03 Delta_et -0.3243518E-02 Pxc 0.4261885E+01 Qxc -0.3126835E+01 3,+1 72 3 +1 0.509400 -1.668460 -0.552185 Rho 0.8943441E-02 |GRAD(Rho)| 0.1302352E-15 GRAD(Rho)x 0.1021028E-15 GRAD(Rho)y -0.7432729E-16 GRAD(Rho)z -0.3180708E-16 Laplacian 0.3460875E-01 (-1/4)Del**2(Rho)) -0.8652187E-02 Diamond 0.9849266E-03 Metallicity 0.7672468E+00 Ellipticity -0.1481207E+01 Gb(Abramov) 0.6874518E-02 Vb(Abramov) -0.5096850E-02 Hb(Abramov) 0.1777669E-02 Ex_ueg -0.1371065E-02 Ec_ueg -0.3203727E-03 Delta_ex -0.1600248E-02 Delta_ec 0.4930845E-03 Delta_et -0.3399390E-02 Pxc 0.4279593E+01 Qxc -0.3245384E+01 3,+1 73 3 -1 0.539819 -2.752804 -1.847156 Rho 0.1131591E+00 |GRAD(Rho)| 0.3283898E-15 GRAD(Rho)x -0.1549122E-15 GRAD(Rho)y 0.2398357E-15 GRAD(Rho)z -0.1622373E-15 Laplacian 0.4728223E+00 (-1/4)Del**2(Rho)) -0.1182056E+00 Diamond 0.6765938E+00 Metallicity 0.3858314E+01 Ellipticity 0.6714131E-02 Gb(Abramov) 0.1548161E+00 Vb(Abramov) -0.1914266E+00 Hb(Abramov) -0.3661051E-01 Ex_ueg -0.4042384E-01 Ec_ueg -0.6128856E-02 Delta_ex -0.4734878E-01 Delta_ec 0.1266971E-01 Delta_et -0.1609060E+00 Pxc 0.6595660E+01 Qxc -0.3737164E+01 3,-1 74 3 -1 -2.901100 -0.021492 -0.049223 Rho 0.5370201E-02 |GRAD(Rho)| 0.4081675E-17 GRAD(Rho)x 0.1439182E-17 GRAD(Rho)y -0.3567700E-17 GRAD(Rho)z -0.1363943E-17 Laplacian 0.2158203E-01 (-1/4)Del**2(Rho)) -0.5395508E-02 Diamond 0.6376846E-03 Metallicity 0.5258216E+00 Ellipticity 0.3141705E+01 Gb(Abramov) 0.4069851E-02 Vb(Abramov) -0.2744194E-02 Hb(Abramov) 0.1325657E-02 Ex_ueg -0.6945536E-03 Ec_ueg -0.1628787E-03 Delta_ex -0.1158630E-02 Delta_ec 0.8056935E-03 Delta_et -0.4419849E-02 Pxc 0.4264239E+01 Qxc -0.1438054E+01 3,-1 75 3 -1 -3.238395 -0.058097 3.145868 Rho 0.2525133E+00 |GRAD(Rho)| 0.3310652E-15 GRAD(Rho)x 0.3214659E-15 GRAD(Rho)y 0.7361733E-16 GRAD(Rho)z -0.2905662E-16 Laplacian 0.9204321E+00 (-1/4)Del**2(Rho)) -0.2301080E+00 Diamond 0.3444959E+01 Metallicity 0.7552576E+01 Ellipticity 0.1357313E-02 Gb(Abramov) 0.4430567E+00 Vb(Abramov) -0.6560055E+00 Hb(Abramov) -0.2129487E+00 Ex_ueg -0.1178774E+00 Ec_ueg -0.1530841E-01 Delta_ex -0.1126189E+00 Delta_ec 0.1988532E-01 Delta_et -0.2751664E+00 Pxc 0.7700177E+01 Qxc -0.5663422E+01 3,-1 76 3 -1 -3.263725 0.068145 -3.142097 Rho 0.2413271E+00 |GRAD(Rho)| 0.6051462E-10 GRAD(Rho)x 0.4146501E-10 GRAD(Rho)y -0.1076457E-10 GRAD(Rho)z 0.4274104E-10 Laplacian 0.8623929E+00 (-1/4)Del**2(Rho)) -0.2155982E+00 Diamond 0.3084695E+01 Metallicity 0.7474549E+01 Ellipticity 0.2591505E-02 Gb(Abramov) 0.4123154E+00 Vb(Abramov) -0.6090325E+00 Hb(Abramov) -0.1967172E+00 Ex_ueg -0.1109669E+00 Ec_ueg -0.1453090E-01 Delta_ex -0.1044206E+00 Delta_ec 0.1915516E-01 Delta_et -0.2659829E+00 Pxc 0.7636611E+01 Qxc -0.5451305E+01 3,-1 77 3 -1 -2.818378 0.579245 -1.784844 Rho 0.1526992E+00 |GRAD(Rho)| 0.3570883E-11 GRAD(Rho)x -0.6531084E-12 GRAD(Rho)y 0.2416436E-11 GRAD(Rho)z 0.2546663E-11 Laplacian 0.6395688E+00 (-1/4)Del**2(Rho)) -0.1598922E+00 Diamond 0.1297483E+01 Metallicity 0.4700244E+01 Ellipticity 0.3128723E-01 Gb(Abramov) 0.2318502E+00 Vb(Abramov) -0.3038082E+00 Hb(Abramov) -0.7195800E-01 Ex_ueg -0.6027918E-01 Ec_ueg -0.8616524E-02 Delta_ex -0.6872641E-01 Delta_ec 0.1569231E-01 Delta_et -0.2083126E+00 Pxc 0.6995766E+01 Qxc -0.4379623E+01 3,-1 78 3 +1 -1.680534 0.559058 -0.513863 Rho 0.8395976E-02 |GRAD(Rho)| 0.5224891E-17 GRAD(Rho)x -0.4708980E-17 GRAD(Rho)y 0.2075596E-17 GRAD(Rho)z 0.9038172E-18 Laplacian 0.3245354E-01 (-1/4)Del**2(Rho)) -0.8113385E-02 Diamond 0.8645854E-03 Metallicity 0.7364384E+00 Ellipticity -0.1478956E+01 Gb(Abramov) 0.6404758E-02 Vb(Abramov) -0.4696131E-02 Hb(Abramov) 0.1708627E-02 Ex_ueg -0.1260318E-02 Ec_ueg -0.2958608E-03 Delta_ex -0.1484815E-02 Delta_ec 0.4766439E-03 Delta_et -0.3221432E-02 Pxc 0.4259833E+01 Qxc -0.3115145E+01 3,+1 79 3 -1 -3.007961 0.864928 1.948290 Rho 0.1499649E+00 |GRAD(Rho)| 0.1234995E-13 GRAD(Rho)x 0.3034519E-14 GRAD(Rho)y -0.9748848E-14 GRAD(Rho)z 0.6947866E-14 Laplacian 0.5893699E+00 (-1/4)Del**2(Rho)) -0.1473425E+00 Diamond 0.1198153E+01 Metallicity 0.4949270E+01 Ellipticity 0.4601011E-01 Gb(Abramov) 0.2197679E+00 Vb(Abramov) -0.2921934E+00 Hb(Abramov) -0.7242546E-01 Ex_ueg -0.5884431E-01 Ec_ueg -0.8441266E-02 Delta_ex -0.6333029E-01 Delta_ec 0.1502804E-01 Delta_et -0.2002158E+00 Pxc 0.6971029E+01 Qxc -0.4214143E+01 3,-1 80 3 +3 -2.327929 0.049632 0.010384 Rho 0.4664251E-02 |GRAD(Rho)| 0.4106308E-17 GRAD(Rho)x 0.3919912E-17 GRAD(Rho)y 0.1216610E-17 GRAD(Rho)z -0.1261503E-18 Laplacian 0.1904381E-01 (-1/4)Del**2(Rho)) -0.4760953E-02 Diamond 0.1748681E-03 Metallicity 0.4711535E+00 Ellipticity -0.3367937E+00 Gb(Abramov) 0.3547825E-02 Vb(Abramov) -0.2334697E-02 Hb(Abramov) 0.1213128E-02 Ex_ueg -0.5755648E-03 Ec_ueg -0.1324929E-03 Delta_ex -0.7003649E-03 Delta_ec 0.1820172E-03 Delta_et -0.1138122E-02 Pxc 0.4344119E+01 Qxc -0.3847796E+01 3,+3 81 3 +1 -2.150824 1.418066 1.049502 Rho 0.2747035E-01 |GRAD(Rho)| 0.5607673E-16 GRAD(Rho)x -0.4471342E-16 GRAD(Rho)y 0.3363933E-16 GRAD(Rho)z -0.3702111E-17 Laplacian 0.1097712E+00 (-1/4)Del**2(Rho)) -0.2744280E-01 Diamond 0.1562796E-01 Metallicity 0.1569995E+01 Ellipticity -0.3092961E+01 Gb(Abramov) 0.2547604E-01 Vb(Abramov) -0.2350929E-01 Hb(Abramov) 0.1966754E-02 Ex_ueg -0.6121680E-02 Ec_ueg -0.1213879E-02 Delta_ex -0.6932919E-02 Delta_ec 0.1739899E-02 Delta_et -0.1573357E-01 Pxc 0.5043073E+01 Qxc -0.3984668E+01 3,+1 82 3 -1 0.059430 0.052790 -2.901052 Rho 0.5264869E-02 |GRAD(Rho)| 0.4121677E-15 GRAD(Rho)x -0.1570218E-15 GRAD(Rho)y -0.1311094E-15 GRAD(Rho)z -0.3578222E-15 Laplacian 0.2119647E-01 (-1/4)Del**2(Rho)) -0.5299116E-02 Diamond 0.6060123E-03 Metallicity 0.5179990E+00 Ellipticity 0.4348137E+01 Gb(Abramov) 0.3990234E-02 Vb(Abramov) -0.2681351E-02 Hb(Abramov) 0.1308883E-02 Ex_ueg -0.6764491E-03 Ec_ueg -0.1583289E-03 Delta_ex -0.1130494E-02 Delta_ec 0.7853658E-03 Delta_et -0.4284410E-02 Pxc 0.4272429E+01 Qxc -0.1439449E+01 3,-1 83 3 -1 -2.033725 -0.831079 -2.962626 Rho 0.1116516E+00 |GRAD(Rho)| 0.2123893E-13 GRAD(Rho)x -0.1367564E-13 GRAD(Rho)y 0.1444568E-13 GRAD(Rho)z 0.7442533E-14 Laplacian 0.4326126E+00 (-1/4)Del**2(Rho)) -0.1081531E+00 Diamond 0.6121024E+00 Metallicity 0.4123717E+01 Ellipticity 0.2576611E-01 Gb(Abramov) 0.1464342E+00 Vb(Abramov) -0.1847154E+00 Hb(Abramov) -0.3828111E-01 Ex_ueg -0.3970741E-01 Ec_ueg -0.6036114E-02 Delta_ex -0.4322831E-01 Delta_ec 0.1170614E-01 Delta_et -0.1484239E+00 Pxc 0.6578307E+01 Qxc -0.3692790E+01 3,-1 84 3 +1 -1.754052 1.744390 -1.756735 Rho 0.1187212E-01 |GRAD(Rho)| 0.2672276E-16 GRAD(Rho)x -0.6529976E-17 GRAD(Rho)y -0.2310404E-16 GRAD(Rho)z -0.1173323E-16 Laplacian 0.5958646E-01 (-1/4)Del**2(Rho)) -0.1489661E-01 Diamond 0.2362394E-02 Metallicity 0.7145176E+00 Ellipticity -0.1245401E+01 Gb(Abramov) 0.1170506E-01 Vb(Abramov) -0.8513502E-02 Hb(Abramov) 0.3191556E-02 Ex_ueg -0.2000274E-02 Ec_ueg -0.4536690E-03 Delta_ex -0.2923482E-02 Delta_ec 0.7784434E-03 Delta_et -0.5817872E-02 Pxc 0.4409106E+01 Qxc -0.3755549E+01 3,+1 85 3 -1 -2.760014 1.862543 -0.547463 Rho 0.1095550E+00 |GRAD(Rho)| 0.8512048E-16 GRAD(Rho)x 0.5853506E-16 GRAD(Rho)y 0.1785545E-16 GRAD(Rho)z -0.5916356E-16 Laplacian 0.4540115E+00 (-1/4)Del**2(Rho)) -0.1135029E+00 Diamond 0.6267945E+00 Metallicity 0.3807147E+01 Ellipticity 0.1035976E-01 Gb(Abramov) 0.1476889E+00 Vb(Abramov) -0.1818750E+00 Hb(Abramov) -0.3418607E-01 Ex_ueg -0.3871635E-01 Ec_ueg -0.5907406E-02 Delta_ex -0.4514734E-01 Delta_ec 0.1230899E-01 Delta_et -0.1554803E+00 Pxc 0.6553867E+01 Qxc -0.3667835E+01 3,-1 86 3 -1 -1.954821 -3.014286 -0.862644 Rho 0.1470427E+00 |GRAD(Rho)| 0.4121509E-15 GRAD(Rho)x -0.1827829E-15 GRAD(Rho)y -0.5052382E-16 GRAD(Rho)z 0.3659318E-15 Laplacian 0.5785480E+00 (-1/4)Del**2(Rho)) -0.1446370E+00 Diamond 0.1149352E+01 Metallicity 0.4879174E+01 Ellipticity 0.4488956E-01 Gb(Abramov) 0.2140429E+00 Vb(Abramov) -0.2834487E+00 Hb(Abramov) -0.6940586E-01 Ex_ueg -0.5732047E-01 Ec_ueg -0.8254475E-02 Delta_ex -0.6187502E-01 Delta_ec 0.1483628E-01 Delta_et -0.1971367E+00 Pxc 0.6944169E+01 Qxc -0.4170522E+01 3,-1 87 3 -1 -1.766222 -2.797419 0.573870 Rho 0.1510913E+00 |GRAD(Rho)| 0.1160441E-15 GRAD(Rho)x 0.6998525E-16 GRAD(Rho)y -0.9243501E-16 GRAD(Rho)z 0.4906015E-17 Laplacian 0.6380459E+00 (-1/4)Del**2(Rho)) -0.1595115E+00 Diamond 0.1299868E+01 Metallicity 0.4629067E+01 Ellipticity 0.1265386E-01 Gb(Abramov) 0.2294059E+00 Vb(Abramov) -0.2993003E+00 Hb(Abramov) -0.6989439E-01 Ex_ueg -0.5943435E-01 Ec_ueg -0.8513407E-02 Delta_ex -0.6859859E-01 Delta_ec 0.1608136E-01 Delta_et -0.2141075E+00 Pxc 0.6981265E+01 Qxc -0.4265720E+01 3,-1 88 3 +1 -1.068595 -2.163355 -1.400557 Rho 0.2777828E-01 |GRAD(Rho)| 0.4795955E-16 GRAD(Rho)x -0.8041177E-17 GRAD(Rho)y -0.4624376E-16 GRAD(Rho)z -0.9847450E-17 Laplacian 0.1116006E+00 (-1/4)Del**2(Rho)) -0.2790014E-01 Diamond 0.1636269E-01 Metallicity 0.1573218E+01 Ellipticity -0.3274164E+01 Gb(Abramov) 0.2591560E-01 Vb(Abramov) -0.2393105E-01 Hb(Abramov) 0.1984547E-02 Ex_ueg -0.6213345E-02 Ec_ueg -0.1229588E-02 Delta_ex -0.7091340E-02 Delta_ec 0.1807316E-02 Delta_et -0.1637960E-01 Pxc 0.5053192E+01 Qxc -0.3923687E+01 3,+1 89 3 -1 -2.747389 -1.826947 0.548212 Rho 0.1375201E+00 |GRAD(Rho)| 0.2417415E-13 GRAD(Rho)x 0.4148279E-14 GRAD(Rho)y -0.1859010E-13 GRAD(Rho)z -0.1488588E-13 Laplacian 0.5784819E+00 (-1/4)Del**2(Rho)) -0.1446205E+00 Diamond 0.1058163E+01 Metallicity 0.4364494E+01 Ellipticity 0.6776467E-02 Gb(Abramov) 0.2016128E+00 Vb(Abramov) -0.2586052E+00 Hb(Abramov) -0.5699237E-01 Ex_ueg -0.5242520E-01 Ec_ueg -0.7649474E-02 Delta_ex -0.6084123E-01 Delta_ec 0.1503402E-01 Delta_et -0.1976854E+00 Pxc 0.6853439E+01 Qxc -0.4046903E+01 3,-1 90 3 +1 -1.311768 2.177491 1.144664 Rho 0.2770971E-01 |GRAD(Rho)| 0.2602234E-16 GRAD(Rho)x -0.1532575E-16 GRAD(Rho)y -0.1401689E-16 GRAD(Rho)z -0.1567834E-16 Laplacian 0.1127689E+00 (-1/4)Del**2(Rho)) -0.2819223E-01 Diamond 0.1816555E-01 Metallicity 0.1550519E+01 Ellipticity -0.6073487E+01 Gb(Abramov) 0.2608025E-01 Vb(Abramov) -0.2396827E-01 Hb(Abramov) 0.2111976E-02 Ex_ueg -0.6192906E-02 Ec_ueg -0.1226088E-02 Delta_ex -0.7320590E-02 Delta_ec 0.2111552E-02 Delta_et -0.1907937E-01 Pxc 0.5050945E+01 Qxc -0.3466924E+01 3,+1 91 3 +3 1.099778 -1.116146 -1.118581 Rho 0.5267284E-02 |GRAD(Rho)| 0.1023561E-15 GRAD(Rho)x -0.2844109E-16 GRAD(Rho)y -0.2131358E-16 GRAD(Rho)z 0.9598759E-16 Laplacian 0.2043285E-01 (-1/4)Del**2(Rho)) -0.5108213E-02 Diamond 0.1515946E-03 Metallicity 0.5377685E+00 Ellipticity -0.1464432E+00 Gb(Abramov) 0.3863315E-02 Vb(Abramov) -0.2618416E-02 Hb(Abramov) 0.1244898E-02 Ex_ueg -0.6768628E-03 Ec_ueg -0.1584332E-03 Delta_ex -0.7148086E-03 Delta_ec 0.8745373E-04 Delta_et -0.7058367E-03 Pxc 0.4272229E+01 Qxc -0.8173563E+01 3,+3 92 3 -1 -1.791672 2.810625 -0.562616 Rho 0.1436144E+00 |GRAD(Rho)| 0.1092141E-12 GRAD(Rho)x -0.7892419E-13 GRAD(Rho)y -0.4894183E-14 GRAD(Rho)z 0.7533083E-13 Laplacian 0.6008973E+00 (-1/4)Del**2(Rho)) -0.1502243E+00 Diamond 0.1135167E+01 Metallicity 0.4516578E+01 Ellipticity 0.2496395E-01 Gb(Abramov) 0.2132329E+00 Vb(Abramov) -0.2762414E+00 Hb(Abramov) -0.6300855E-01 Ex_ueg -0.5554552E-01 Ec_ueg -0.8036005E-02 Delta_ex -0.6362930E-01 Delta_ec 0.1502336E-01 Delta_et -0.1979135E+00 Pxc 0.6912081E+01 Qxc -0.4235357E+01 3,-1 93 3 -1 -1.965503 3.032885 0.876680 Rho 0.1469430E+00 |GRAD(Rho)| 0.1924160E-13 GRAD(Rho)x -0.1094512E-13 GRAD(Rho)y -0.6390545E-14 GRAD(Rho)z -0.1447773E-13 Laplacian 0.5751118E+00 (-1/4)Del**2(Rho)) -0.1437780E+00 Diamond 0.1126480E+01 Metallicity 0.4902779E+01 Ellipticity 0.6321490E-01 Gb(Abramov) 0.2133372E+00 Vb(Abramov) -0.2828965E+00 Hb(Abramov) -0.6955928E-01 Ex_ueg -0.5726865E-01 Ec_ueg -0.8248110E-02 Delta_ex -0.6134255E-01 Delta_ec 0.1447432E-01 Delta_et -0.1916935E+00 Pxc 0.6943245E+01 Qxc -0.4238026E+01 3,-1 94 3 -1 -1.779619 -0.526850 -1.698235 Rho 0.4319846E-01 |GRAD(Rho)| 0.4071499E-15 GRAD(Rho)x -0.2717231E-15 GRAD(Rho)y 0.1502621E-15 GRAD(Rho)z -0.2633608E-15 Laplacian 0.1822727E+00 (-1/4)Del**2(Rho)) -0.4556817E-01 Diamond 0.7753385E-01 Metallicity 0.2010660E+01 Ellipticity 0.1459974E-01 Gb(Abramov) 0.4564913E-01 Vb(Abramov) -0.4573009E-01 Hb(Abramov) -0.8095856E-04 Ex_ueg -0.1119462E-01 Ec_ueg -0.2042511E-02 Delta_ex -0.1455769E-01 Delta_ec 0.5604321E-02 Delta_et -0.5688674E-01 Pxc 0.5480813E+01 Qxc -0.2597583E+01 3,-1 95 3 -1 -1.825170 -0.549062 2.744749 Rho 0.1340250E+00 |GRAD(Rho)| 0.6023344E-12 GRAD(Rho)x 0.4409676E-12 GRAD(Rho)y -0.3864078E-12 GRAD(Rho)z 0.1379975E-12 Laplacian 0.5641069E+00 (-1/4)Del**2(Rho)) -0.1410267E+00 Diamond 0.1000755E+01 Metallicity 0.4287736E+01 Ellipticity 0.9522010E-02 Gb(Abramov) 0.1947987E+00 Vb(Abramov) -0.2485707E+00 Hb(Abramov) -0.5377197E-01 Ex_ueg -0.5065621E-01 Ec_ueg -0.7428865E-02 Delta_ex -0.5896390E-01 Delta_ec 0.1475826E-01 Delta_et -0.1932932E+00 Pxc 0.6818836E+01 Qxc -0.3995316E+01 3,-1 96 3 -1 -1.854045 0.552427 -2.752360 Rho 0.1162557E+00 |GRAD(Rho)| 0.5171567E-12 GRAD(Rho)x -0.3636374E-12 GRAD(Rho)y -0.3324256E-12 GRAD(Rho)z 0.1572007E-12 Laplacian 0.4808119E+00 (-1/4)Del**2(Rho)) -0.1202030E+00 Diamond 0.7119789E+00 Metallicity 0.3968825E+01 Ellipticity 0.6743683E-02 Gb(Abramov) 0.1596461E+00 Vb(Abramov) -0.1990892E+00 Hb(Abramov) -0.3944310E-01 Ex_ueg -0.4190549E-01 Ec_ueg -0.6319878E-02 Delta_ex -0.4847619E-01 Delta_ec 0.1283434E-01 Delta_et -0.1638321E+00 Pxc 0.6630743E+01 Qxc -0.3777069E+01 3,-1 97 3 -1 -1.734561 0.538512 1.709765 Rho 0.4859865E-01 |GRAD(Rho)| 0.5309222E-15 GRAD(Rho)x 0.1959568E-16 GRAD(Rho)y 0.2972419E-15 GRAD(Rho)z 0.4394788E-15 Laplacian 0.1984935E+00 (-1/4)Del**2(Rho)) -0.4962337E-01 Diamond 0.9584420E-01 Metallicity 0.2246849E+01 Ellipticity 0.1183848E-01 Gb(Abramov) 0.5166495E-01 Vb(Abramov) -0.5370653E-01 Hb(Abramov) -0.2041578E-02 Ex_ueg -0.1309837E-01 Ec_ueg -0.2337560E-02 Delta_ex -0.1617897E-01 Delta_ec 0.5838593E-02 Delta_et -0.6109044E-01 Pxc 0.5603438E+01 Qxc -0.2771039E+01 3,-1 98 3 +1 -1.255958 1.197299 2.175712 Rho 0.2965338E-01 |GRAD(Rho)| 0.3714670E-16 GRAD(Rho)x 0.8654007E-17 GRAD(Rho)y -0.1941488E-17 GRAD(Rho)z -0.3607237E-16 Laplacian 0.1221769E+00 (-1/4)Del**2(Rho)) -0.3054423E-01 Diamond 0.2191872E-01 Metallicity 0.1602313E+01 Ellipticity -0.8782348E+01 Gb(Abramov) 0.2851973E-01 Vb(Abramov) -0.2649522E-01 Hb(Abramov) 0.2024505E-02 Ex_ueg -0.6778765E-02 Ec_ueg -0.1325742E-02 Delta_ex -0.8102516E-02 Delta_ec 0.2336301E-02 Delta_et -0.2146301E-01 Pxc 0.5113187E+01 Qxc -0.3468097E+01 3,+1 99 3 +1 0.540260 1.654338 0.525291 Rho 0.8975151E-02 |GRAD(Rho)| 0.1312547E-16 GRAD(Rho)x 0.6475587E-17 GRAD(Rho)y 0.9837004E-17 GRAD(Rho)z 0.5794662E-17 Laplacian 0.3509243E-01 (-1/4)Del**2(Rho)) -0.8773106E-02 Diamond 0.9846378E-03 Metallicity 0.7611484E+00 Ellipticity -0.1448634E+01 Gb(Abramov) 0.6961677E-02 Vb(Abramov) -0.5150247E-02 Hb(Abramov) 0.1811429E-02 Ex_ueg -0.1377550E-02 Ec_ueg -0.3217965E-03 Delta_ex -0.1616032E-02 Delta_ec 0.4856242E-03 Delta_et -0.3362368E-02 Pxc 0.4280812E+01 Qxc -0.3327741E+01 3,+1 100 3 -1 -2.017064 0.853627 2.966141 Rho 0.1377345E+00 |GRAD(Rho)| 0.2447513E-12 GRAD(Rho)x 0.1331767E-12 GRAD(Rho)y 0.1736878E-12 GRAD(Rho)z 0.1095432E-12 Laplacian 0.5417514E+00 (-1/4)Del**2(Rho)) -0.1354378E+00 Diamond 0.9958662E+00 Metallicity 0.4672518E+01 Ellipticity 0.3078014E-01 Gb(Abramov) 0.1957645E+00 Vb(Abramov) -0.2560912E+00 Hb(Abramov) -0.6032669E-01 Ex_ueg -0.5253419E-01 Ec_ueg -0.7663030E-02 Delta_ex -0.5703356E-01 Delta_ec 0.1413461E-01 Delta_et -0.1860261E+00 Pxc 0.6855537E+01 Qxc -0.4035028E+01 3,-1 101 3 +1 -2.183229 -1.126715 -1.330865 Rho 0.2843557E-01 |GRAD(Rho)| 0.6371890E-14 GRAD(Rho)x -0.3700106E-14 GRAD(Rho)y 0.2792242E-14 GRAD(Rho)z -0.4371908E-14 Laplacian 0.1161815E+00 (-1/4)Del**2(Rho)) -0.2904537E-01 Diamond 0.1905803E-01 Metallicity 0.1571253E+01 Ellipticity -0.5303497E+01 Gb(Abramov) 0.2696985E-01 Vb(Abramov) -0.2489433E-01 Hb(Abramov) 0.2075518E-02 Ex_ueg -0.6410141E-02 Ec_ueg -0.1263198E-02 Delta_ex -0.7563373E-02 Delta_ec 0.2120803E-02 Delta_et -0.1929310E-01 Pxc 0.5074535E+01 Qxc -0.3566278E+01 3,+1 102 3 +1 -0.181504 -0.185857 -2.907098 Rho 0.5179212E-02 |GRAD(Rho)| 0.6637001E-16 GRAD(Rho)x -0.4566204E-16 GRAD(Rho)y -0.4756385E-16 GRAD(Rho)z -0.7591903E-17 Laplacian 0.2145191E-01 (-1/4)Del**2(Rho)) -0.5362978E-02 Diamond 0.4876571E-03 Metallicity 0.4980275E+00 Ellipticity -0.2205575E+01 Gb(Abramov) 0.4020470E-02 Vb(Abramov) -0.2677963E-02 Hb(Abramov) 0.1342508E-02 Ex_ueg -0.6618150E-03 Ec_ueg -0.1546332E-03 Delta_ex -0.1041204E-02 Delta_ec 0.6172031E-03 Delta_et -0.3411030E-02 Pxc 0.4279904E+01 Qxc -0.1686971E+01 3,+1 103 3 +1 0.518539 -0.559684 -1.660977 Rho 0.8734928E-02 |GRAD(Rho)| 0.1188214E-12 GRAD(Rho)x 0.4431508E-13 GRAD(Rho)y -0.4300780E-13 GRAD(Rho)z -0.1015137E-12 Laplacian 0.3376759E-01 (-1/4)Del**2(Rho)) -0.8441896E-02 Diamond 0.9322951E-03 Metallicity 0.7560410E+00 Ellipticity -0.1474349E+01 Gb(Abramov) 0.6691668E-02 Vb(Abramov) -0.4941439E-02 Hb(Abramov) 0.1750229E-02 Ex_ueg -0.1328610E-02 Ec_ueg -0.3110212E-03 Delta_ex -0.1552814E-02 Delta_ec 0.4824546E-03 Delta_et -0.3304881E-02 Pxc 0.4271766E+01 Qxc -0.3218569E+01 3,+1 104 3 +1 1.666779 -0.542973 -0.519689 Rho 0.9021033E-02 |GRAD(Rho)| 0.1373152E-16 GRAD(Rho)x 0.3720328E-19 GRAD(Rho)y -0.5331887E-17 GRAD(Rho)z 0.1265402E-16 Laplacian 0.3525380E-01 (-1/4)Del**2(Rho)) -0.8813449E-02 Diamond 0.9916433E-03 Metallicity 0.7641308E+00 Ellipticity -0.1446088E+01 Gb(Abramov) 0.6998071E-02 Vb(Abramov) -0.5182692E-02 Hb(Abramov) 0.1815379E-02 Ex_ueg -0.1386948E-02 Ec_ueg -0.3238574E-03 Delta_ex -0.1623703E-02 Delta_ec 0.4845162E-03 Delta_et -0.3361782E-02 Pxc 0.4282587E+01 Qxc -0.3351184E+01 3,+1 105 3 +1 -1.736952 -1.742979 1.729307 Rho 0.1235380E-01 |GRAD(Rho)| 0.3224954E-16 GRAD(Rho)x 0.1094946E-16 GRAD(Rho)y 0.1698048E-16 GRAD(Rho)z 0.2513575E-16 Laplacian 0.6236659E-01 (-1/4)Del**2(Rho)) -0.1559165E-01 Diamond 0.2581595E-02 Metallicity 0.7294497E+00 Ellipticity -0.1243098E+01 Gb(Abramov) 0.1228999E-01 Vb(Abramov) -0.8988323E-02 Hb(Abramov) 0.3301662E-02 Ex_ueg -0.2109206E-02 Ec_ueg -0.4759261E-03 Delta_ex -0.3083907E-02 Delta_ec 0.8000565E-03 Delta_et -0.6048973E-02 Pxc 0.4431794E+01 Qxc -0.3854612E+01 3,+1 106 3 +1 -0.181760 -2.896329 -0.195859 Rho 0.5444202E-02 |GRAD(Rho)| 0.6151186E-17 GRAD(Rho)x 0.3479718E-17 GRAD(Rho)y 0.1755770E-17 GRAD(Rho)z -0.4758774E-17 Laplacian 0.2254451E-01 (-1/4)Del**2(Rho)) -0.5636128E-02 Diamond 0.5363278E-03 Metallicity 0.5149867E+00 Ellipticity -0.2187148E+01 Gb(Abramov) 0.4241174E-02 Vb(Abramov) -0.2846220E-02 Hb(Abramov) 0.1394954E-02 Ex_ueg -0.7073440E-03 Ec_ueg -0.1660784E-03 Delta_ex -0.1095502E-02 Delta_ec 0.6312324E-03 Delta_et -0.3548278E-02 Pxc 0.4259096E+01 Qxc -0.1735497E+01 3,+1 107 3 -1 -0.553713 -1.713765 -1.759013 Rho 0.4234177E-01 |GRAD(Rho)| 0.3540226E-16 GRAD(Rho)x -0.3309368E-16 GRAD(Rho)y -0.1240946E-16 GRAD(Rho)z 0.2033091E-17 Laplacian 0.1790707E+00 (-1/4)Del**2(Rho)) -0.4476767E-01 Diamond 0.7393386E-01 Metallicity 0.1979415E+01 Ellipticity 0.1163333E-01 Gb(Abramov) 0.4461409E-01 Vb(Abramov) -0.4446050E-01 Hb(Abramov) 0.1535875E-03 Ex_ueg -0.1089960E-01 Ec_ueg -0.1996147E-02 Delta_ex -0.1422093E-01 Delta_ec 0.5488122E-02 Delta_et -0.5540490E-01 Pxc 0.5460317E+01 Qxc -0.2591219E+01 3,-1 108 3 +1 -1.397196 -1.074052 -2.167279 Rho 0.2684586E-01 |GRAD(Rho)| 0.7392409E-16 GRAD(Rho)x 0.3876483E-18 GRAD(Rho)y -0.5655718E-17 GRAD(Rho)z -0.7370640E-16 Laplacian 0.1077921E+00 (-1/4)Del**2(Rho)) -0.2694804E-01 Diamond 0.1587036E-01 Metallicity 0.1538703E+01 Ellipticity -0.4028262E+01 Gb(Abramov) 0.2487620E-01 Vb(Abramov) -0.2280435E-01 Hb(Abramov) 0.2071841E-02 Ex_ueg -0.5936832E-02 Ec_ueg -0.1182092E-02 Delta_ex -0.6864702E-02 Delta_ec 0.1885458E-02 Delta_et -0.1692399E-01 Pxc 0.5022310E+01 Qxc -0.3640866E+01 3,+1 109 3 -1 1.747226 0.520651 -1.705693 Rho 0.4833870E-01 |GRAD(Rho)| 0.1256507E-15 GRAD(Rho)x -0.1041338E-15 GRAD(Rho)y 0.6220208E-16 GRAD(Rho)z 0.3278949E-16 Laplacian 0.1973799E+00 (-1/4)Del**2(Rho)) -0.4934498E-01 Diamond 0.9472423E-01 Metallicity 0.2239418E+01 Ellipticity 0.1335720E-01 Gb(Abramov) 0.5131400E-01 Vb(Abramov) -0.5328301E-01 Hb(Abramov) -0.1969013E-02 Ex_ueg -0.1300504E-01 Ec_ueg -0.2323251E-02 Delta_ex -0.1607145E-01 Delta_ec 0.5814943E-02 Delta_et -0.6076004E-01 Pxc 0.5597776E+01 Qxc -0.2763819E+01 3,-1 110 3 +3 -0.022642 -0.023553 -2.326636 Rho 0.4564865E-02 |GRAD(Rho)| 0.1270712E-13 GRAD(Rho)x 0.6699009E-14 GRAD(Rho)y 0.4612292E-14 GRAD(Rho)z 0.9763241E-14 Laplacian 0.1859618E-01 (-1/4)Del**2(Rho)) -0.4649045E-02 Diamond 0.1674046E-03 Metallicity 0.4654818E+00 Ellipticity -0.3616253E+00 Gb(Abramov) 0.3460038E-02 Vb(Abramov) -0.2271030E-02 Hb(Abramov) 0.1189007E-02 Ex_ueg -0.5592711E-03 Ec_ueg -0.1282355E-03 Delta_ex -0.6818072E-03 Delta_ec 0.1806695E-03 Delta_et -0.1119877E-02 Pxc 0.4361281E+01 Qxc -0.3773782E+01 3,+3 111 3 -1 -0.849154 -2.973548 -2.030418 Rho 0.1267826E+00 |GRAD(Rho)| 0.3257424E-16 GRAD(Rho)x 0.1664250E-16 GRAD(Rho)y -0.2513316E-16 GRAD(Rho)z 0.1234635E-16 Laplacian 0.4933091E+00 (-1/4)Del**2(Rho)) -0.1233273E+00 Diamond 0.8123529E+00 Metallicity 0.4469512E+01 Ellipticity 0.3833482E-01 Gb(Abramov) 0.1740870E+00 Vb(Abramov) -0.2248467E+00 Hb(Abramov) -0.5075970E-01 Ex_ueg -0.4703971E-01 Ec_ueg -0.6974283E-02 Delta_ex -0.5079947E-01 Delta_ec 0.1293826E-01 Delta_et -0.1676826E+00 Pxc 0.6744737E+01 Qxc -0.3926300E+01 3,-1 112 3 +3 1.113221 1.085925 1.127142 Rho 0.5197107E-02 |GRAD(Rho)| 0.9468475E-14 GRAD(Rho)x -0.8223984E-14 GRAD(Rho)y -0.3190193E-14 GRAD(Rho)z -0.3441043E-14 Laplacian 0.2022111E-01 (-1/4)Del**2(Rho)) -0.5055278E-02 Diamond 0.1486001E-03 Metallicity 0.5313870E+00 Ellipticity -0.1193667E+00 Gb(Abramov) 0.3817903E-02 Vb(Abramov) -0.2580529E-02 Hb(Abramov) 0.1237374E-02 Ex_ueg -0.6648658E-03 Ec_ueg -0.1554050E-03 Delta_ex -0.7059149E-03 Delta_ec 0.8861179E-04 Delta_et -0.7074795E-03 Pxc 0.4278279E+01 Qxc -0.7966377E+01 3,+3 113 3 -1 -0.861301 1.959996 3.010321 Rho 0.1445481E+00 |GRAD(Rho)| 0.3358173E-15 GRAD(Rho)x -0.3272529E-15 GRAD(Rho)y -0.6708501E-16 GRAD(Rho)z -0.3432855E-16 Laplacian 0.5689925E+00 (-1/4)Del**2(Rho)) -0.1422481E+00 Diamond 0.1106524E+01 Metallicity 0.4821630E+01 Ellipticity 0.4086740E-01 Gb(Abramov) 0.2091434E+00 Vb(Abramov) -0.2760386E+00 Hb(Abramov) -0.6689526E-01 Ex_ueg -0.5602754E-01 Ec_ueg -0.8095431E-02 Delta_ex -0.6059003E-01 Delta_ec 0.1463684E-01 Delta_et -0.1939692E+00 Pxc 0.6920883E+01 Qxc -0.4139555E+01 3,-1 114 3 +3 0.000205 2.322210 -0.023862 Rho 0.4608923E-02 |GRAD(Rho)| 0.3743521E-17 GRAD(Rho)x -0.1277619E-17 GRAD(Rho)y 0.3336645E-17 GRAD(Rho)z -0.1117339E-17 Laplacian 0.1882708E-01 (-1/4)Del**2(Rho)) -0.4706769E-02 Diamond 0.1711756E-03 Metallicity 0.4671926E+00 Ellipticity -0.3082327E+00 Gb(Abramov) 0.3504341E-02 Vb(Abramov) -0.2301912E-02 Hb(Abramov) 0.1202428E-02 Ex_ueg -0.5664796E-03 Ec_ueg -0.1301222E-03 Delta_ex -0.6914073E-03 Delta_ec 0.1819322E-03 Delta_et -0.1131641E-02 Pxc 0.4353445E+01 Qxc -0.3800357E+01 3,+3 115 3 -1 -0.563831 -1.776116 2.786668 Rho 0.1466872E+00 |GRAD(Rho)| 0.1581090E-11 GRAD(Rho)x -0.1059198E-11 GRAD(Rho)y 0.1136286E-11 GRAD(Rho)z 0.2946187E-12 Laplacian 0.6190933E+00 (-1/4)Del**2(Rho)) -0.1547733E+00 Diamond 0.1218456E+01 Metallicity 0.4541273E+01 Ellipticity 0.1109259E-01 Gb(Abramov) 0.2203269E+00 Vb(Abramov) -0.2858804E+00 Hb(Abramov) -0.6555356E-01 Ex_ueg -0.5713579E-01 Ec_ueg -0.8231788E-02 Delta_ex -0.6609127E-01 Delta_ec 0.1574123E-01 Delta_et -0.2087680E+00 Pxc 0.6940871E+01 Qxc -0.4198609E+01 3,-1 116 3 -1 -0.481474 -0.476362 -0.465087 Rho 0.1884461E+00 |GRAD(Rho)| 0.7623882E-14 GRAD(Rho)x 0.4194561E-14 GRAD(Rho)y 0.4489464E-14 GRAD(Rho)z 0.4513750E-14 Laplacian 0.5231150E+00 (-1/4)Del**2(Rho)) -0.1307787E+00 Diamond 0.1419860E+01 Metallicity 0.8159454E+01 Ellipticity 0.2225249E-02 Gb(Abramov) 0.2650330E+00 Vb(Abramov) -0.3992873E+00 Hb(Abramov) -0.1342543E+00 Ex_ueg -0.7979356E-01 Ec_ueg -0.1094857E-01 Delta_ex -0.5965630E-01 Delta_ec 0.1285043E-01 Delta_et -0.1768035E+00 Pxc 0.7288035E+01 Qxc -0.4642357E+01 3,-1 117 3 -1 0.047092 -2.896832 0.041324 Rho 0.5533467E-02 |GRAD(Rho)| 0.7906935E-17 GRAD(Rho)x 0.6654650E-17 GRAD(Rho)y -0.3490422E-18 GRAD(Rho)z -0.4255986E-17 Laplacian 0.2215516E-01 (-1/4)Del**2(Rho)) -0.5538791E-02 Diamond 0.6705441E-03 Metallicity 0.5384356E+00 Ellipticity 0.3265930E+01 Gb(Abramov) 0.4189574E-02 Vb(Abramov) -0.2840358E-02 Hb(Abramov) 0.1349217E-02 Ex_ueg -0.7228500E-03 Ec_ueg -0.1699418E-03 Delta_ex -0.1187072E-02 Delta_ec 0.8112280E-03 Delta_et -0.4496349E-02 Pxc 0.4253514E+01 Qxc -0.1463303E+01 3,-1 118 3 -1 -0.836767 2.971013 2.027810 Rho 0.1253704E+00 |GRAD(Rho)| 0.1708558E-13 GRAD(Rho)x -0.7847482E-14 GRAD(Rho)y -0.6404653E-14 GRAD(Rho)z -0.1375916E-13 Laplacian 0.4936131E+00 (-1/4)Del**2(Rho)) -0.1234033E+00 Diamond 0.8114173E+00 Metallicity 0.4384142E+01 Ellipticity 0.2040205E-01 Gb(Abramov) 0.1724384E+00 Vb(Abramov) -0.2214736E+00 Hb(Abramov) -0.4903516E-01 Ex_ueg -0.4634237E-01 Ec_ueg -0.6886050E-02 Delta_ex -0.5081339E-01 Delta_ec 0.1319384E-01 Delta_et -0.1710569E+00 Pxc 0.6729892E+01 Qxc -0.3851296E+01 3,-1 119 3 +1 -0.538805 0.526189 -1.670875 Rho 0.8542593E-02 |GRAD(Rho)| 0.1483413E-16 GRAD(Rho)x -0.3725952E-19 GRAD(Rho)y -0.1424546E-16 GRAD(Rho)z 0.4137286E-17 Laplacian 0.3305506E-01 (-1/4)Del**2(Rho)) -0.8263765E-02 Diamond 0.8956558E-03 Metallicity 0.7442030E+00 Ellipticity -0.1477486E+01 Gb(Abramov) 0.6534163E-02 Vb(Abramov) -0.4804561E-02 Hb(Abramov) 0.1729602E-02 Ex_ueg -0.1289747E-02 Ec_ueg -0.3024123E-03 Delta_ex -0.1516209E-02 Delta_ec 0.4806396E-03 Delta_et -0.3266877E-02 Pxc 0.4264864E+01 Qxc -0.3154565E+01 3,+1 120 3 +1 0.558620 0.502780 1.679997 Rho 0.8643454E-02 |GRAD(Rho)| 0.1326496E-12 GRAD(Rho)x 0.1965043E-13 GRAD(Rho)y 0.9380747E-13 GRAD(Rho)z 0.9170564E-13 Laplacian 0.3361976E-01 (-1/4)Del**2(Rho)) -0.8404941E-02 Diamond 0.9117783E-03 Metallicity 0.7461579E+00 Ellipticity -0.1458241E+01 Gb(Abramov) 0.6648529E-02 Vb(Abramov) -0.4892118E-02 Hb(Abramov) 0.1756411E-02 Ex_ueg -0.1310091E-02 Ec_ueg -0.3069248E-03 Delta_ex -0.1540470E-02 Delta_ec 0.4777743E-03 Delta_et -0.3265997E-02 Pxc 0.4268443E+01 Qxc -0.3224262E+01 3,+1 121 3 +1 0.143674 0.137023 -2.895392 Rho 0.5259771E-02 |GRAD(Rho)| 0.1878616E-16 GRAD(Rho)x 0.1448075E-16 GRAD(Rho)y 0.1136952E-16 GRAD(Rho)z -0.3736528E-17 Laplacian 0.2154779E-01 (-1/4)Del**2(Rho)) -0.5386947E-02 Diamond 0.5547446E-03 Metallicity 0.5087313E+00 Ellipticity -0.4689388E+01 Gb(Abramov) 0.4048049E-02 Vb(Abramov) -0.2709152E-02 Hb(Abramov) 0.1338898E-02 Ex_ueg -0.6755759E-03 Ec_ueg -0.1581089E-03 Delta_ex -0.1096509E-02 Delta_ec 0.7046150E-03 Delta_et -0.3874784E-02 Pxc 0.4272853E+01 Qxc -0.1556181E+01 3,+1 122 3 -1 -0.464185 0.466731 0.478693 Rho 0.1866875E+00 |GRAD(Rho)| 0.2572777E-15 GRAD(Rho)x -0.1700029E-15 GRAD(Rho)y -0.1838807E-15 GRAD(Rho)z -0.5898060E-16 Laplacian 0.5161201E+00 (-1/4)Del**2(Rho)) -0.1290300E+00 Diamond 0.1387152E+01 Metallicity 0.8141815E+01 Ellipticity 0.2879201E-02 Gb(Abramov) 0.2611098E+00 Vb(Abramov) -0.3931895E+00 Hb(Abramov) -0.1320797E+00 Ex_ueg -0.7880228E-01 Ec_ueg -0.1083212E-01 Delta_ex -0.5873445E-01 Delta_ec 0.1273608E-01 Delta_et -0.1751374E+00 Pxc 0.7274873E+01 Qxc -0.4611658E+01 3,-1 123 3 +3 0.035412 -0.019855 2.322061 Rho 0.4768285E-02 |GRAD(Rho)| 0.2081371E-13 GRAD(Rho)x 0.5941954E-14 GRAD(Rho)y 0.1686819E-13 GRAD(Rho)z 0.1064745E-13 Laplacian 0.1946596E-01 (-1/4)Del**2(Rho)) -0.4866491E-02 Diamond 0.1803336E-03 Metallicity 0.4781979E+00 Ellipticity -0.3267837E+00 Gb(Abramov) 0.3632185E-02 Vb(Abramov) -0.2397879E-02 Hb(Abramov) 0.1234306E-02 Ex_ueg -0.5927451E-03 Ec_ueg -0.1369548E-03 Delta_ex -0.7161238E-03 Delta_ec 0.1792623E-03 Delta_et -0.1135979E-02 Pxc 0.4328034E+01 Qxc -0.3994839E+01 3,+3 124 3 +1 0.192036 -0.183262 2.903825 Rho 0.5423587E-02 |GRAD(Rho)| 0.4973266E-17 GRAD(Rho)x -0.4103053E-17 GRAD(Rho)y 0.2800155E-17 GRAD(Rho)z -0.2397133E-18 Laplacian 0.2246798E-01 (-1/4)Del**2(Rho)) -0.5616995E-02 Diamond 0.5363066E-03 Metallicity 0.5134839E+00 Ellipticity -0.2224724E+01 Gb(Abramov) 0.4225370E-02 Vb(Abramov) -0.2833744E-02 Hb(Abramov) 0.1391626E-02 Ex_ueg -0.7037751E-03 Ec_ueg -0.1651868E-03 Delta_ex -0.1094710E-02 Delta_ec 0.6358164E-03 Delta_et -0.3567007E-02 Pxc 0.4260481E+01 Qxc -0.1721738E+01 3,+1 125 3 -1 0.047381 -3.152395 -3.255188 Rho 0.2417990E+00 |GRAD(Rho)| 0.3862938E-14 GRAD(Rho)x -0.7259005E-15 GRAD(Rho)y 0.2621059E-14 GRAD(Rho)z 0.2743248E-14 Laplacian 0.8625165E+00 (-1/4)Del**2(Rho)) -0.2156291E+00 Diamond 0.3093434E+01 Metallicity 0.7497848E+01 Ellipticity 0.8864258E-03 Gb(Abramov) 0.4132118E+00 Vb(Abramov) -0.6107945E+00 Hb(Abramov) -0.1975827E+00 Ex_ueg -0.1112563E+00 Ec_ueg -0.1456356E-01 Delta_ex -0.1044943E+00 Delta_ec 0.1915655E-01 Delta_et -0.2660636E+00 Pxc 0.7639357E+01 Qxc -0.5454757E+01 3,-1 126 3 +1 0.157701 -2.888278 0.155531 Rho 0.5520839E-02 |GRAD(Rho)| 0.3195520E-15 GRAD(Rho)x 0.2341057E-15 GRAD(Rho)y -0.3712159E-17 GRAD(Rho)z 0.2174724E-15 Laplacian 0.2258397E-01 (-1/4)Del**2(Rho)) -0.5645992E-02 Diamond 0.5918972E-03 Metallicity 0.5262048E+00 Ellipticity -0.3595399E+01 Gb(Abramov) 0.4259153E-02 Vb(Abramov) -0.2872313E-02 Hb(Abramov) 0.1386839E-02 Ex_ueg -0.7206514E-03 Ec_ueg -0.1693951E-03 Delta_ex -0.1136690E-02 Delta_ec 0.6968711E-03 Delta_et -0.3904496E-02 Pxc 0.4254265E+01 Qxc -0.1631134E+01 3,+1 127 3 -1 -0.055169 -3.153963 3.246902 Rho 0.2524296E+00 |GRAD(Rho)| 0.8391482E-13 GRAD(Rho)x 0.1618543E-13 GRAD(Rho)y 0.5807789E-13 GRAD(Rho)z -0.5836683E-13 Laplacian 0.9209684E+00 (-1/4)Del**2(Rho)) -0.2302421E+00 Diamond 0.3444846E+01 Metallicity 0.7544011E+01 Ellipticity 0.1287480E-02 Gb(Abramov) 0.4429862E+00 Vb(Abramov) -0.6557303E+00 Hb(Abramov) -0.2127441E+00 Ex_ueg -0.1178254E+00 Ec_ueg -0.1530257E-01 Delta_ex -0.1126710E+00 Delta_ec 0.1989229E-01 Delta_et -0.2752301E+00 Pxc 0.7699713E+01 Qxc -0.5664054E+01 3,-1 128 3 -1 -0.045432 0.046890 2.899792 Rho 0.5510558E-02 |GRAD(Rho)| 0.2253690E-14 GRAD(Rho)x -0.1517108E-14 GRAD(Rho)y 0.1613101E-14 GRAD(Rho)z -0.4188169E-15 Laplacian 0.2208949E-01 (-1/4)Del**2(Rho)) -0.5522372E-02 Diamond 0.6640263E-03 Metallicity 0.5363153E+00 Ellipticity 0.3688082E+01 Gb(Abramov) 0.4175203E-02 Vb(Abramov) -0.2828035E-02 Hb(Abramov) 0.1347169E-02 Ex_ueg -0.7188625E-03 Ec_ueg -0.1689499E-03 Delta_ex -0.1181980E-02 Delta_ec 0.8076390E-03 Delta_et -0.4471220E-02 Pxc 0.4254885E+01 Qxc -0.1463501E+01 3,-1 129 3 -1 -0.515086 1.702498 1.756656 Rho 0.4847402E-01 |GRAD(Rho)| 0.8682759E-16 GRAD(Rho)x 0.6327823E-16 GRAD(Rho)y 0.1847167E-16 GRAD(Rho)z 0.5651277E-16 Laplacian 0.1978315E+00 (-1/4)Del**2(Rho)) -0.4945787E-01 Diamond 0.9539559E-01 Metallicity 0.2244741E+01 Ellipticity 0.1515814E-01 Gb(Abramov) 0.5147526E-01 Vb(Abramov) -0.5349265E-01 Hb(Abramov) -0.2017391E-02 Ex_ueg -0.1305360E-01 Ec_ueg -0.2330698E-02 Delta_ex -0.1612374E-01 Delta_ec 0.5835591E-02 Delta_et -0.6102235E-01 Pxc 0.5600726E+01 Qxc -0.2763001E+01 3,-1 130 3 -1 -0.571420 1.779534 -2.809377 Rho 0.1461891E+00 |GRAD(Rho)| 0.1808753E-15 GRAD(Rho)x 0.1417730E-15 GRAD(Rho)y 0.1108461E-15 GRAD(Rho)z -0.1815022E-16 Laplacian 0.6113506E+00 (-1/4)Del**2(Rho)) -0.1528376E+00 Diamond 0.1178975E+01 Metallicity 0.4572789E+01 Ellipticity 0.2538781E-01 Gb(Abramov) 0.2183742E+00 Vb(Abramov) -0.2839107E+00 Hb(Abramov) -0.6553651E-01 Ex_ueg -0.5687723E-01 Ec_ueg -0.8200010E-02 Delta_ex -0.6501094E-01 Delta_ec 0.1520152E-01 Delta_et -0.2007192E+00 Pxc 0.6936239E+01 Qxc -0.4276607E+01 3,-1 131 3 -1 0.473137 0.457874 -0.468728 Rho 0.1870956E+00 |GRAD(Rho)| 0.8428275E-12 GRAD(Rho)x -0.4666476E-12 GRAD(Rho)y -0.4637506E-12 GRAD(Rho)z 0.5268147E-12 Laplacian 0.5179519E+00 (-1/4)Del**2(Rho)) -0.1294880E+00 Diamond 0.1396879E+01 Metallicity 0.8142599E+01 Ellipticity 0.2635552E-02 Gb(Abramov) 0.2620534E+00 Vb(Abramov) -0.3946189E+00 Hb(Abramov) -0.1325654E+00 Ex_ueg -0.7903204E-01 Ec_ueg -0.1085913E-01 Delta_ex -0.5898381E-01 Delta_ec 0.1278914E-01 Delta_et -0.1759544E+00 Pxc 0.7277938E+01 Qxc -0.4612022E+01 3,-1 132 3 -1 -0.032037 2.894370 0.013844 Rho 0.5285357E-02 |GRAD(Rho)| 0.1528099E-16 GRAD(Rho)x -0.1414314E-16 GRAD(Rho)y -0.4829599E-17 GRAD(Rho)z -0.3186692E-17 Laplacian 0.2124730E-01 (-1/4)Del**2(Rho)) -0.5311826E-02 Diamond 0.6148422E-03 Metallicity 0.5201157E+00 Ellipticity 0.3475578E+01 Gb(Abramov) 0.4001678E-02 Vb(Abramov) -0.2691530E-02 Hb(Abramov) 0.1310148E-02 Ex_ueg -0.6799613E-03 Ec_ueg -0.1592135E-03 Delta_ex -0.1137632E-02 Delta_ec 0.7937138E-03 Delta_et -0.4332871E-02 Pxc 0.4270752E+01 Qxc -0.1433303E+01 3,-1 133 3 +1 1.663328 0.517050 0.548647 Rho 0.8761422E-02 |GRAD(Rho)| 0.1451815E-12 GRAD(Rho)x 0.1024582E-12 GRAD(Rho)y 0.2594372E-13 GRAD(Rho)z 0.9953341E-13 Laplacian 0.3404337E-01 (-1/4)Del**2(Rho)) -0.8510842E-02 Diamond 0.9435067E-03 Metallicity 0.7537111E+00 Ellipticity -0.1469088E+01 Gb(Abramov) 0.6743014E-02 Vb(Abramov) -0.4975186E-02 Hb(Abramov) 0.1767828E-02 Ex_ueg -0.1333986E-02 Ec_ueg -0.3122083E-03 Delta_ex -0.1566567E-02 Delta_ec 0.4861672E-03 Delta_et -0.3333096E-02 Pxc 0.4272742E+01 Qxc -0.3222281E+01 3,+1 134 3 -1 0.856620 -2.971853 2.022669 Rho 0.1365443E+00 |GRAD(Rho)| 0.2703042E-15 GRAD(Rho)x -0.2606286E-15 GRAD(Rho)y -0.1490100E-16 GRAD(Rho)z 0.7010722E-16 Laplacian 0.5362816E+00 (-1/4)Del**2(Rho)) -0.1340704E+00 Diamond 0.9757386E+00 Metallicity 0.4652389E+01 Ellipticity 0.2938758E-01 Gb(Abramov) 0.1933382E+00 Vb(Abramov) -0.2526060E+00 Hb(Abramov) -0.5926781E-01 Ex_ueg -0.5192976E-01 Ec_ueg -0.7587799E-02 Delta_ex -0.5634074E-01 Delta_ec 0.1402433E-01 Delta_et -0.1843319E+00 Pxc 0.6843850E+01 Qxc -0.4017356E+01 3,-1 135 3 +1 1.042136 2.150417 -1.415467 Rho 0.2743636E-01 |GRAD(Rho)| 0.4442843E-16 GRAD(Rho)x 0.1120689E-16 GRAD(Rho)y -0.4023117E-16 GRAD(Rho)z 0.1515731E-16 Laplacian 0.1095948E+00 (-1/4)Del**2(Rho)) -0.2739871E-01 Diamond 0.1551352E-01 Metallicity 0.1569280E+01 Ellipticity -0.3041571E+01 Gb(Abramov) 0.2543184E-01 Vb(Abramov) -0.2346498E-01 Hb(Abramov) 0.1966861E-02 Ex_ueg -0.6111582E-02 Ec_ueg -0.1212146E-02 Delta_ex -0.6913440E-02 Delta_ec 0.1726364E-02 Delta_et -0.1560852E-01 Pxc 0.5041951E+01 Qxc -0.4004626E+01 3,+1 136 3 +1 1.413572 -1.058652 2.165165 Rho 0.2747425E-01 |GRAD(Rho)| 0.4553767E-16 GRAD(Rho)x 0.2446062E-16 GRAD(Rho)y 0.2713492E-16 GRAD(Rho)z 0.2718554E-16 Laplacian 0.1097667E+00 (-1/4)Del**2(Rho)) -0.2744169E-01 Diamond 0.1559037E-01 Metallicity 0.1570431E+01 Ellipticity -0.3065120E+01 Gb(Abramov) 0.2547700E-01 Vb(Abramov) -0.2351232E-01 Hb(Abramov) 0.1964685E-02 Ex_ueg -0.6122839E-02 Ec_ueg -0.1214078E-02 Delta_ex -0.6929074E-02 Delta_ec 0.1732986E-02 Delta_et -0.1567276E-01 Pxc 0.5043201E+01 Qxc -0.3998344E+01 3,+1 137 3 -1 3.006744 0.860107 -1.955949 Rho 0.1433681E+00 |GRAD(Rho)| 0.1049555E-11 GRAD(Rho)x -0.1906851E-12 GRAD(Rho)y 0.7121206E-12 GRAD(Rho)z 0.7470542E-12 Laplacian 0.5658870E+00 (-1/4)Del**2(Rho)) -0.1414717E+00 Diamond 0.1089642E+01 Metallicity 0.4782311E+01 Ellipticity 0.3863582E-01 Gb(Abramov) 0.2070748E+00 Vb(Abramov) -0.2726779E+00 Hb(Abramov) -0.6560306E-01 Ex_ueg -0.5541856E-01 Ec_ueg -0.8020339E-02 Delta_ex -0.6013817E-01 Delta_ec 0.1458506E-01 Delta_et -0.1930475E+00 Pxc 0.6909752E+01 Qxc -0.4123273E+01 3,-1 138 3 -1 0.580803 1.771257 2.810175 Rho 0.1581771E+00 |GRAD(Rho)| 0.8923374E-16 GRAD(Rho)x -0.2501797E-16 GRAD(Rho)y 0.8161332E-16 GRAD(Rho)z -0.2600052E-16 Laplacian 0.6637139E+00 (-1/4)Del**2(Rho)) -0.1659285E+00 Diamond 0.1424996E+01 Metallicity 0.4803285E+01 Ellipticity 0.1849968E-01 Gb(Abramov) 0.2434526E+00 Vb(Abramov) -0.3209767E+00 Hb(Abramov) -0.7752414E-01 Ex_ueg -0.6317956E-01 Ec_ueg -0.8969006E-02 Delta_ex -0.7213660E-01 Delta_ec 0.1647581E-01 Delta_et -0.2205436E+00 Pxc 0.7044210E+01 Qxc -0.4378333E+01 3,-1 139 3 -1 0.864503 1.963331 -3.017843 Rho 0.1384421E+00 |GRAD(Rho)| 0.2475565E-15 GRAD(Rho)x -0.2113923E-15 GRAD(Rho)y -0.1288235E-15 GRAD(Rho)z -0.1409463E-17 Laplacian 0.5419775E+00 (-1/4)Del**2(Rho)) -0.1354944E+00 Diamond 0.9893027E+00 Metallicity 0.4710631E+01 Ellipticity 0.5506641E-01 Gb(Abramov) 0.1967069E+00 Vb(Abramov) -0.2579195E+00 Hb(Abramov) -0.6121254E-01 Ex_ueg -0.5289437E-01 Ec_ueg -0.7707801E-02 Delta_ex -0.5698281E-01 Delta_ec 0.1386310E-01 Delta_et -0.1820682E+00 Pxc 0.6862447E+01 Qxc -0.4110396E+01 3,-1 140 3 -1 0.532599 1.700363 -1.763767 Rho 0.4175963E-01 |GRAD(Rho)| 0.4830831E-16 GRAD(Rho)x 0.5592853E-17 GRAD(Rho)y -0.3133662E-16 GRAD(Rho)z 0.3633771E-16 Laplacian 0.1761360E+00 (-1/4)Del**2(Rho)) -0.4403399E-01 Diamond 0.7136420E-01 Metallicity 0.1966495E+01 Ellipticity 0.9120652E-02 Gb(Abramov) 0.4378810E-01 Vb(Abramov) -0.4354221E-01 Hb(Abramov) 0.2458933E-03 Ex_ueg -0.1070025E-01 Ec_ueg -0.1964714E-02 Delta_ex -0.1393995E-01 Delta_ec 0.5398426E-02 Delta_et -0.5429631E-01 Pxc 0.5446212E+01 Qxc -0.2582225E+01 3,-1 141 3 +1 0.143789 2.895158 -0.166009 Rho 0.5246631E-02 |GRAD(Rho)| 0.2134208E-15 GRAD(Rho)x 0.1602330E-15 GRAD(Rho)y -0.1526245E-16 GRAD(Rho)z -0.1401458E-15 Laplacian 0.2159401E-01 (-1/4)Del**2(Rho)) -0.5398503E-02 Diamond 0.5209414E-03 Metallicity 0.5055305E+00 Ellipticity -0.2727819E+01 Gb(Abramov) 0.4053854E-02 Vb(Abramov) -0.2709204E-02 Hb(Abramov) 0.1344650E-02 Ex_ueg -0.6733266E-03 Ec_ueg -0.1575417E-03 Delta_ex -0.1069486E-02 Delta_ec 0.6546213E-03 Delta_et -0.3617091E-02 Pxc 0.4273957E+01 Qxc -0.1633748E+01 3,+1 142 3 +1 2.172680 1.253327 -1.189487 Rho 0.2940830E-01 |GRAD(Rho)| 0.1326839E-16 GRAD(Rho)x 0.1285451E-16 GRAD(Rho)y 0.2858348E-17 GRAD(Rho)z 0.1625280E-17 Laplacian 0.1210348E+00 (-1/4)Del**2(Rho)) -0.3025869E-01 Diamond 0.2146450E-01 Metallicity 0.1595216E+01 Ellipticity -0.8512397E+01 Gb(Abramov) 0.2821732E-01 Vb(Abramov) -0.2617595E-01 Hb(Abramov) 0.2041370E-02 Ex_ueg -0.6704170E-02 Ec_ueg -0.1313127E-02 Delta_ex -0.8008878E-02 Delta_ec 0.2313995E-02 Delta_et -0.2121441E-01 Pxc 0.5105499E+01 Qxc -0.3461061E+01 3,+1 143 3 +1 1.737720 1.736138 1.760044 Rho 0.1220742E-01 |GRAD(Rho)| 0.1703010E-16 GRAD(Rho)x 0.2997459E-17 GRAD(Rho)y 0.1315009E-16 GRAD(Rho)z -0.1039783E-16 Laplacian 0.6151473E-01 (-1/4)Del**2(Rho)) -0.1537868E-01 Diamond 0.2518487E-02 Metallicity 0.7250038E+00 Ellipticity -0.1251508E+01 Gb(Abramov) 0.1211072E-01 Vb(Abramov) -0.8842761E-02 Hb(Abramov) 0.3267960E-02 Ex_ueg -0.2075949E-02 Ec_ueg -0.4691525E-03 Delta_ex -0.3036004E-02 Delta_ec 0.7959181E-03 Delta_et -0.5995042E-02 Pxc 0.4424892E+01 Qxc -0.3814468E+01 3,+1 144 3 +1 1.109399 1.339642 -2.170431 Rho 0.2781653E-01 |GRAD(Rho)| 0.2512031E-16 GRAD(Rho)x 0.1434363E-16 GRAD(Rho)y 0.2059756E-16 GRAD(Rho)z -0.1015314E-17 Laplacian 0.1125559E+00 (-1/4)Del**2(Rho)) -0.2813898E-01 Diamond 0.1751670E-01 Metallicity 0.1563447E+01 Ellipticity -0.4431325E+01 Gb(Abramov) 0.2609162E-01 Vb(Abramov) -0.2404426E-01 Hb(Abramov) 0.2047360E-02 Ex_ueg -0.6224757E-02 Ec_ueg -0.1231542E-02 Delta_ex -0.7247267E-02 Delta_ec 0.1988038E-02 Delta_et -0.1799700E-01 Pxc 0.5054443E+01 Qxc -0.3645438E+01 3,+1 145 3 -1 0.559080 2.749144 1.833874 Rho 0.1385017E+00 |GRAD(Rho)| 0.3229599E-15 GRAD(Rho)x -0.3158010E-15 GRAD(Rho)y -0.2019327E-16 GRAD(Rho)z 0.6453713E-16 Laplacian 0.5824445E+00 (-1/4)Del**2(Rho)) -0.1456111E+00 Diamond 0.1075390E+01 Metallicity 0.4386488E+01 Ellipticity 0.7206240E-02 Gb(Abramov) 0.2035277E+00 Vb(Abramov) -0.2614442E+00 Hb(Abramov) -0.5791654E-01 Ex_ueg -0.5292470E-01 Ec_ueg -0.7711569E-02 Delta_ex -0.6137318E-01 Delta_ec 0.1512748E-01 Delta_et -0.1991655E+00 Pxc 0.6863027E+01 Qxc -0.4057065E+01 3,-1 146 3 -1 0.827847 2.960475 -2.025867 Rho 0.1193886E+00 |GRAD(Rho)| 0.6287796E-13 GRAD(Rho)x 0.2892545E-13 GRAD(Rho)y -0.2238999E-13 GRAD(Rho)z 0.5114337E-13 Laplacian 0.4657379E+00 (-1/4)Del**2(Rho)) -0.1164345E+00 Diamond 0.7119241E+00 Metallicity 0.4282949E+01 Ellipticity 0.3298275E-01 Gb(Abramov) 0.1607368E+00 Vb(Abramov) -0.2050391E+00 Hb(Abramov) -0.4430232E-01 Ex_ueg -0.4341789E-01 Ec_ueg -0.6513828E-02 Delta_ex -0.4725312E-01 Delta_ec 0.1235155E-01 Delta_et -0.1583982E+00 Pxc 0.6665496E+01 Qxc -0.3825684E+01 3,-1 147 3 -1 0.562246 -1.786909 -2.801257 Rho 0.1312770E+00 |GRAD(Rho)| 0.6487816E-13 GRAD(Rho)x -0.6286623E-13 GRAD(Rho)y 0.1988102E-14 GRAD(Rho)z -0.1590786E-13 Laplacian 0.5519326E+00 (-1/4)Del**2(Rho)) -0.1379831E+00 Diamond 0.9402628E+00 Metallicity 0.4233582E+01 Ellipticity 0.1361482E-01 Gb(Abramov) 0.1893492E+00 Vb(Abramov) -0.2407153E+00 Hb(Abramov) -0.5136610E-01 Ex_ueg -0.4927610E-01 Ec_ueg -0.7255972E-02 Delta_ex -0.5722696E-01 Delta_ec 0.1419675E-01 Delta_et -0.1847303E+00 Pxc 0.6791110E+01 Qxc -0.4030990E+01 3,-1 148 3 +1 1.747449 -1.741622 -1.739310 Rho 0.1218013E-01 |GRAD(Rho)| 0.1473133E-13 GRAD(Rho)x 0.5823111E-14 GRAD(Rho)y 0.1246560E-13 GRAD(Rho)z -0.5264227E-14 Laplacian 0.6132105E-01 (-1/4)Del**2(Rho)) -0.1533026E-01 Diamond 0.2504692E-02 Metallicity 0.7245868E+00 Ellipticity -0.1254277E+01 Gb(Abramov) 0.1207153E-01 Vb(Abramov) -0.8812789E-02 Hb(Abramov) 0.3258737E-02 Ex_ueg -0.2069766E-02 Ec_ueg -0.4678910E-03 Delta_ex -0.3025175E-02 Delta_ec 0.7943368E-03 Delta_et -0.5979159E-02 Pxc 0.4423606E+01 Qxc -0.3808429E+01 3,+1 149 3 -1 0.539013 -1.715594 1.746258 Rho 0.4897004E-01 |GRAD(Rho)| 0.2579245E-15 GRAD(Rho)x -0.8635395E-16 GRAD(Rho)y -0.1677447E-15 GRAD(Rho)z 0.1758686E-15 Laplacian 0.2005297E+00 (-1/4)Del**2(Rho)) -0.5013243E-01 Diamond 0.9795167E-01 Metallicity 0.2252433E+01 Ellipticity 0.1155842E-01 Gb(Abramov) 0.5224160E-01 Vb(Abramov) -0.5435078E-01 Hb(Abramov) -0.2109177E-02 Ex_ueg -0.1323200E-01 Ec_ueg -0.2358021E-02 Delta_ex -0.1638150E-01 Delta_ec 0.5907386E-02 Delta_et -0.6193574E-01 Pxc 0.5611487E+01 Qxc -0.2773053E+01 3,-1 150 3 -1 0.869744 -1.960187 3.019210 Rho 0.1517115E+00 |GRAD(Rho)| 0.2344125E-15 GRAD(Rho)x -0.1979482E-15 GRAD(Rho)y 0.1482646E-16 GRAD(Rho)z -0.1246832E-15 Laplacian 0.5964427E+00 (-1/4)Del**2(Rho)) -0.1491107E+00 Diamond 0.1228674E+01 Metallicity 0.4985884E+01 Ellipticity 0.4903742E-01 Gb(Abramov) 0.2233152E+00 Vb(Abramov) -0.2975197E+00 Hb(Abramov) -0.7420453E-01 Ex_ueg -0.5975991E-01 Ec_ueg -0.8553168E-02 Delta_ex -0.6426470E-01 Delta_ec 0.1515002E-01 Delta_et -0.2021327E+00 Pxc 0.6986874E+01 Qxc -0.4241888E+01 3,-1 151 3 +3 2.323960 -0.012482 0.030412 Rho 0.4729391E-02 |GRAD(Rho)| 0.2371135E-17 GRAD(Rho)x -0.9556109E-18 GRAD(Rho)y -0.8474434E-19 GRAD(Rho)z -0.2168388E-17 Laplacian 0.1937415E-01 (-1/4)Del**2(Rho)) -0.4843537E-02 Diamond 0.1801837E-03 Metallicity 0.4739500E+00 Ellipticity -0.3102099E+00 Gb(Abramov) 0.3611624E-02 Vb(Abramov) -0.2379711E-02 Hb(Abramov) 0.1231913E-02 Ex_ueg -0.5863074E-03 Ec_ueg -0.1352860E-03 Delta_ex -0.7139372E-03 Delta_ec 0.1832128E-03 Delta_et -0.1152076E-02 Pxc 0.4333835E+01 Qxc -0.3896764E+01 3,+3 152 3 +1 1.190929 -2.180458 1.271984 Rho 0.2974884E-01 |GRAD(Rho)| 0.2984047E-16 GRAD(Rho)x -0.3072151E-17 GRAD(Rho)y 0.1572154E-16 GRAD(Rho)z -0.2517636E-16 Laplacian 0.1224910E+00 (-1/4)Del**2(Rho)) -0.3062275E-01 Diamond 0.2198234E-01 Metallicity 0.1606790E+01 Ellipticity -0.8361144E+01 Gb(Abramov) 0.2861589E-01 Vb(Abramov) -0.2660903E-01 Hb(Abramov) 0.2006860E-02 Ex_ueg -0.6807879E-02 Ec_ueg -0.1330660E-02 Delta_ex -0.8122512E-02 Delta_ec 0.2328458E-02 Delta_et -0.2140920E-01 Pxc 0.5116169E+01 Qxc -0.3488365E+01 3,+1 153 3 -1 1.708039 1.736605 -0.537695 Rho 0.4781222E-01 |GRAD(Rho)| 0.5253367E-13 GRAD(Rho)x 0.3370542E-13 GRAD(Rho)y 0.3630732E-13 GRAD(Rho)z 0.1747884E-13 Laplacian 0.1952868E+00 (-1/4)Del**2(Rho)) -0.4882171E-01 Diamond 0.9218636E-01 Metallicity 0.2222482E+01 Ellipticity 0.1291064E-01 Gb(Abramov) 0.5063204E-01 Vb(Abramov) -0.5244236E-01 Hb(Abramov) -0.1810328E-02 Ex_ueg -0.1281652E-01 Ec_ueg -0.2294303E-02 Delta_ex -0.1585048E-01 Delta_ec 0.5741646E-02 Delta_et -0.5981934E-01 Pxc 0.5586239E+01 Qxc -0.2760616E+01 3,-1 154 3 -1 1.770114 2.788966 0.566264 Rho 0.1433449E+00 |GRAD(Rho)| 0.2043808E-15 GRAD(Rho)x 0.5564668E-16 GRAD(Rho)y 0.2543809E-16 GRAD(Rho)z -0.1950073E-15 Laplacian 0.6050151E+00 (-1/4)Del**2(Rho)) -0.1512538E+00 Diamond 0.1160227E+01 Metallicity 0.4471818E+01 Ellipticity 0.1054447E-01 Gb(Abramov) 0.2135657E+00 Vb(Abramov) -0.2758777E+00 Hb(Abramov) -0.6231195E-01 Ex_ueg -0.5540659E-01 Ec_ueg -0.8018863E-02 Delta_ex -0.6424591E-01 Delta_ec 0.1550853E-01 Delta_et -0.2050817E+00 Pxc 0.6909532E+01 Qxc -0.4142616E+01 3,-1 155 3 -1 1.951671 3.008327 -0.865546 Rho 0.1534404E+00 |GRAD(Rho)| 0.2597346E-15 GRAD(Rho)x 0.3041187E-16 GRAD(Rho)y -0.3023569E-16 GRAD(Rho)z 0.2561699E-15 Laplacian 0.6027984E+00 (-1/4)Del**2(Rho)) -0.1506996E+00 Diamond 0.1258760E+01 Metallicity 0.5027367E+01 Ellipticity 0.4811027E-01 Gb(Abramov) 0.2267368E+00 Vb(Abramov) -0.3027739E+00 Hb(Abramov) -0.7603717E-01 Ex_ueg -0.6066963E-01 Ec_ueg -0.8664111E-02 Delta_ex -0.6513072E-01 Delta_ec 0.1526790E-01 Delta_et -0.2040213E+00 Pxc 0.7002406E+01 Qxc -0.4265860E+01 3,-1 156 3 -1 1.847088 0.544216 2.770891 Rho 0.1155696E+00 |GRAD(Rho)| 0.1300794E-15 GRAD(Rho)x -0.9120851E-17 GRAD(Rho)y 0.7729006E-16 GRAD(Rho)z 0.1042291E-15 Laplacian 0.4822417E+00 (-1/4)Del**2(Rho)) -0.1205604E+00 Diamond 0.7080228E+00 Metallicity 0.3918210E+01 Ellipticity 0.6325379E-02 Gb(Abramov) 0.1591038E+00 Vb(Abramov) -0.1976472E+00 Hb(Abramov) -0.3854337E-01 Ex_ueg -0.4157604E-01 Ec_ueg -0.6277493E-02 Delta_ex -0.4853772E-01 Delta_ec 0.1286487E-01 Delta_et -0.1640100E+00 Pxc 0.6623033E+01 Qxc -0.3772887E+01 3,-1 157 3 +1 2.895064 -0.178578 0.199018 Rho 0.5366152E-02 |GRAD(Rho)| 0.1190468E-16 GRAD(Rho)x -0.1893908E-19 GRAD(Rho)y 0.1042154E-16 GRAD(Rho)z 0.5754343E-17 Laplacian 0.2234057E-01 (-1/4)Del**2(Rho)) -0.5585142E-02 Diamond 0.5356179E-03 Metallicity 0.5073301E+00 Ellipticity -0.2317015E+01 Gb(Abramov) 0.4195679E-02 Vb(Abramov) -0.2806217E-02 Hb(Abramov) 0.1389462E-02 Ex_ueg -0.6938555E-03 Ec_ueg -0.1627037E-03 Delta_ex -0.1094559E-02 Delta_ec 0.6472077E-03 Delta_et -0.3612785E-02 Pxc 0.4264534E+01 Qxc -0.1691202E+01 3,+1 158 3 -1 2.897694 0.038948 -0.017180 Rho 0.5437149E-02 |GRAD(Rho)| 0.6656742E-17 GRAD(Rho)x -0.8606149E-18 GRAD(Rho)y 0.2577334E-17 GRAD(Rho)z -0.6076916E-17 Laplacian 0.2185378E-01 (-1/4)Del**2(Rho)) -0.5463446E-02 Diamond 0.6519750E-03 Metallicity 0.5301173E+00 Ellipticity 0.3348945E+01 Gb(Abramov) 0.4125008E-02 Vb(Abramov) -0.2786571E-02 Hb(Abramov) 0.1338437E-02 Ex_ueg -0.7061225E-03 Ec_ueg -0.1657734E-03 Delta_ex -0.1172087E-02 Delta_ec 0.8090531E-03 Delta_et -0.4457360E-02 Pxc 0.4259566E+01 Qxc -0.1448714E+01 3,-1 159 3 -1 2.022934 0.843475 -2.971420 Rho 0.1346904E+00 |GRAD(Rho)| 0.4778465E-15 GRAD(Rho)x -0.1567350E-15 GRAD(Rho)y -0.4506893E-15 GRAD(Rho)z 0.2550586E-16 Laplacian 0.5296095E+00 (-1/4)Del**2(Rho)) -0.1324024E+00 Diamond 0.9486098E+00 Metallicity 0.4604881E+01 Ellipticity 0.2970771E-01 Gb(Abramov) 0.1898845E+00 Vb(Abramov) -0.2473665E+00 Hb(Abramov) -0.5748207E-01 Ex_ueg -0.5099182E-01 Ec_ueg -0.7470804E-02 Delta_ex -0.5546406E-01 Delta_ec 0.1391002E-01 Delta_et -0.1824649E+00 Pxc 0.6825480E+01 Qxc -0.3987347E+01 3,-1 160 3 -1 2.968522 -2.019498 0.845436 Rho 0.1272010E+00 |GRAD(Rho)| 0.1591175E-13 GRAD(Rho)x -0.5766499E-14 GRAD(Rho)y 0.1289179E-13 GRAD(Rho)z 0.7330277E-14 Laplacian 0.4992268E+00 (-1/4)Del**2(Rho)) -0.1248067E+00 Diamond 0.8351538E+00 Metallicity 0.4440850E+01 Ellipticity 0.2126631E-01 Gb(Abramov) 0.1755791E+00 Vb(Abramov) -0.2263515E+00 Hb(Abramov) -0.5077240E-01 Ex_ueg -0.4724680E-01 Ec_ueg -0.7000450E-02 Delta_ex -0.5157120E-01 Delta_ec 0.1330021E-01 Delta_et -0.1728611E+00 Pxc 0.6749109E+01 Qxc -0.3877471E+01 3,-1 161 3 -1 1.775376 -2.793107 -0.575071 Rho 0.1583955E+00 |GRAD(Rho)| 0.1815719E-14 GRAD(Rho)x 0.4135689E-15 GRAD(Rho)y -0.1507814E-14 GRAD(Rho)z -0.9231981E-15 Laplacian 0.6645683E+00 (-1/4)Del**2(Rho)) -0.1661421E+00 Diamond 0.1427767E+01 Metallicity 0.4808151E+01 Ellipticity 0.1813115E-01 Gb(Abramov) 0.2439007E+00 Vb(Abramov) -0.3216594E+00 Hb(Abramov) -0.7775866E-01 Ex_ueg -0.6329587E-01 Ec_ueg -0.8983092E-02 Delta_ex -0.7224094E-01 Delta_ec 0.1646763E-01 Delta_et -0.2204133E+00 Pxc 0.7046111E+01 Qxc -0.4386845E+01 3,-1 162 3 -1 1.962599 -3.010758 0.867632 Rho 0.1456876E+00 |GRAD(Rho)| 0.1243674E-13 GRAD(Rho)x 0.6850423E-14 GRAD(Rho)y 0.7657639E-14 GRAD(Rho)z -0.7007483E-14 Laplacian 0.5734020E+00 (-1/4)Del**2(Rho)) -0.1433505E+00 Diamond 0.1125561E+01 Metallicity 0.4847580E+01 Ellipticity 0.4292897E-01 Gb(Abramov) 0.2113842E+00 Vb(Abramov) -0.2794178E+00 Hb(Abramov) -0.6803367E-01 Ex_ueg -0.5661722E-01 Ec_ueg -0.8168033E-02 Delta_ex -0.6117582E-01 Delta_ec 0.1471990E-01 Delta_et -0.1952890E+00 Pxc 0.6931561E+01 Qxc -0.4155996E+01 3,-1 163 3 +1 2.171714 -1.128099 1.336363 Rho 0.2805176E-01 |GRAD(Rho)| 0.8408328E-15 GRAD(Rho)x 0.5047681E-15 GRAD(Rho)y 0.3574137E-15 GRAD(Rho)z 0.5696178E-15 Laplacian 0.1142587E+00 (-1/4)Del**2(Rho)) -0.2856468E-01 Diamond 0.1848098E-01 Metallicity 0.1561915E+01 Ellipticity -0.5474816E+01 Gb(Abramov) 0.2647905E-01 Vb(Abramov) -0.2439342E-01 Hb(Abramov) 0.2085629E-02 Ex_ueg -0.6295040E-02 Ec_ueg -0.1243560E-02 Delta_ex -0.7419311E-02 Delta_ec 0.2099926E-02 Delta_et -0.1903750E-01 Pxc 0.5062114E+01 Qxc -0.3533130E+01 3,+1 164 3 -1 3.020023 -0.867032 1.976222 Rho 0.1441870E+00 |GRAD(Rho)| 0.3296283E-15 GRAD(Rho)x 0.1975620E-15 GRAD(Rho)y -0.1920800E-15 GRAD(Rho)z -0.1809127E-15 Laplacian 0.5649576E+00 (-1/4)Del**2(Rho)) -0.1412394E+00 Diamond 0.1081222E+01 Metallicity 0.4835862E+01 Ellipticity 0.6255887E-01 Gb(Abramov) 0.2079953E+00 Vb(Abramov) -0.2747513E+00 Hb(Abramov) -0.6675592E-01 Ex_ueg -0.5584098E-01 Ec_ueg -0.8072440E-02 Delta_ex -0.5997493E-01 Delta_ec 0.1427650E-01 Delta_et -0.1885493E+00 Pxc 0.6917485E+01 Qxc -0.4200954E+01 3,-1 165 3 -1 2.798228 -0.571524 -1.768670 Rho 0.1473401E+00 |GRAD(Rho)| 0.2018290E-15 GRAD(Rho)x 0.1037853E-15 GRAD(Rho)y -0.2883978E-16 GRAD(Rho)z -0.1706805E-15 Laplacian 0.6213742E+00 (-1/4)Del**2(Rho)) -0.1553435E+00 Diamond 0.1229774E+01 Metallicity 0.4558217E+01 Ellipticity 0.1054206E-01 Gb(Abramov) 0.2215773E+00 Vb(Abramov) -0.2878110E+00 Hb(Abramov) -0.6623374E-01 Ex_ueg -0.5747510E-01 Ec_ueg -0.8273461E-02 Delta_ex -0.6641001E-01 Delta_ec 0.1578713E-01 Delta_et -0.2095204E+00 Pxc 0.6946923E+01 Qxc -0.4206593E+01 3,-1 166 3 +1 2.891545 0.154895 -0.132699 Rho 0.5423904E-02 |GRAD(Rho)| 0.3566713E-15 GRAD(Rho)x 0.8816551E-17 GRAD(Rho)y 0.2353045E-15 GRAD(Rho)z -0.2678964E-15 Laplacian 0.2223237E-01 (-1/4)Del**2(Rho)) -0.5558092E-02 Diamond 0.5739533E-03 Metallicity 0.5189761E+00 Ellipticity -0.3562331E+01 Gb(Abramov) 0.4186147E-02 Vb(Abramov) -0.2814203E-02 Hb(Abramov) 0.1371944E-02 Ex_ueg -0.7038298E-03 Ec_ueg -0.1652005E-03 Delta_ex -0.1119256E-02 Delta_ec 0.6934478E-03 Delta_et -0.3861749E-02 Pxc 0.4260459E+01 Qxc -0.1614045E+01 3,+1 167 3 -1 2.797709 0.566136 1.796564 Rho 0.1392596E+00 |GRAD(Rho)| 0.2100529E-15 GRAD(Rho)x 0.2000353E-16 GRAD(Rho)y -0.4809792E-16 GRAD(Rho)z 0.2034912E-15 Laplacian 0.5865490E+00 (-1/4)Del**2(Rho)) -0.1466372E+00 Diamond 0.1068622E+01 Metallicity 0.4395592E+01 Ellipticity 0.2023300E-01 Gb(Abramov) 0.2051844E+00 Vb(Abramov) -0.2637316E+00 Hb(Abramov) -0.5854716E-01 Ex_ueg -0.5331120E-01 Ec_ueg -0.7759558E-02 Delta_ex -0.6165159E-01 Delta_ec 0.1479233E-01 Delta_et -0.1940471E+00 Pxc 0.6870392E+01 Qxc -0.4167808E+01 3,-1 168 3 -1 3.151237 -3.244075 -0.069565 Rho 0.2520343E+00 |GRAD(Rho)| 0.2036169E-13 GRAD(Rho)x -0.1710155E-13 GRAD(Rho)y 0.4507245E-14 GRAD(Rho)z -0.1009059E-13 Laplacian 0.9192608E+00 (-1/4)Del**2(Rho)) -0.2298152E+00 Diamond 0.3432761E+01 Metallicity 0.7538306E+01 Ellipticity 0.2732272E-02 Gb(Abramov) 0.4419463E+00 Vb(Abramov) -0.6540775E+00 Hb(Abramov) -0.2121311E+00 Ex_ueg -0.1175794E+00 Ec_ueg -0.1527497E-01 Delta_ex -0.1124197E+00 Delta_ec 0.1987191E-01 Delta_et -0.2749740E+00 Pxc 0.7697519E+01 Qxc -0.5657217E+01 3,-1 169 3 -1 2.748413 1.831988 0.555268 Rho 0.1309255E+00 |GRAD(Rho)| 0.6178302E-12 GRAD(Rho)x -0.9815399E-13 GRAD(Rho)y 0.4724956E-12 GRAD(Rho)z -0.3857822E-12 Laplacian 0.5486336E+00 (-1/4)Del**2(Rho)) -0.1371584E+00 Diamond 0.9468825E+00 Metallicity 0.4240052E+01 Ellipticity 0.1271190E-01 Gb(Abramov) 0.1883654E+00 Vb(Abramov) -0.2395724E+00 Hb(Abramov) -0.5120701E-01 Ex_ueg -0.4910030E-01 Ec_ueg -0.7233897E-02 Delta_ex -0.5703003E-01 Delta_ec 0.1444608E-01 Delta_et -0.1885195E+00 Pxc 0.6787531E+01 Qxc -0.3947787E+01 3,-1 170 3 -1 2.969511 2.012926 -0.846709 Rho 0.1391028E+00 |GRAD(Rho)| 0.2250886E-15 GRAD(Rho)x -0.1488067E-15 GRAD(Rho)y 0.8977194E-16 GRAD(Rho)z 0.1430469E-15 Laplacian 0.5475891E+00 (-1/4)Del**2(Rho)) -0.1368973E+00 Diamond 0.1018361E+01 Metallicity 0.4699501E+01 Ellipticity 0.3168156E-01 Gb(Abramov) 0.1984897E+00 Vb(Abramov) -0.2600820E+00 Hb(Abramov) -0.6159239E-01 Ex_ueg -0.5323122E-01 Ec_ueg -0.7749631E-02 Delta_ex -0.5778379E-01 Delta_ec 0.1424763E-01 Delta_et -0.1877888E+00 Pxc 0.6868871E+01 Qxc -0.4055678E+01 3,-1 171 3 -1 3.149759 3.242055 0.053778 Rho 0.2525076E+00 |GRAD(Rho)| 0.7571731E-14 GRAD(Rho)x -0.6328488E-14 GRAD(Rho)y 0.5800482E-15 GRAD(Rho)z 0.4116417E-14 Laplacian 0.9194239E+00 (-1/4)Del**2(Rho)) -0.2298560E+00 Diamond 0.3442687E+01 Metallicity 0.7560575E+01 Ellipticity 0.1538258E-02 Gb(Abramov) 0.4428779E+00 Vb(Abramov) -0.6558998E+00 Hb(Abramov) -0.2130219E+00 Ex_ueg -0.1178739E+00 Ec_ueg -0.1530801E-01 Delta_ex -0.1125028E+00 Delta_ec 0.1987783E-01 Delta_et -0.2751298E+00 Pxc 0.7700146E+01 Qxc -0.5659716E+01 3,-1 172 3 -1 3.242856 -0.069877 -3.153501 Rho 0.2525238E+00 |GRAD(Rho)| 0.1770434E-12 GRAD(Rho)x -0.1239796E-12 GRAD(Rho)y 0.3288792E-13 GRAD(Rho)z 0.1220319E-12 Laplacian 0.9200885E+00 (-1/4)Del**2(Rho)) -0.2300221E+00 Diamond 0.3444593E+01 Metallicity 0.7555923E+01 Ellipticity 0.1237554E-02 Gb(Abramov) 0.4430196E+00 Vb(Abramov) -0.6560172E+00 Hb(Abramov) -0.2129975E+00 Ex_ueg -0.1178840E+00 Ec_ueg -0.1530914E-01 Delta_ex -0.1125818E+00 Delta_ec 0.1988427E-01 Delta_et -0.2751835E+00 Pxc 0.7700236E+01 Qxc -0.5661855E+01 3,-1 173 3 -1 3.257131 0.057182 3.159320 Rho 0.2421926E+00 |GRAD(Rho)| 0.2559731E-15 GRAD(Rho)x 0.2305014E-15 GRAD(Rho)y 0.4274467E-16 GRAD(Rho)z -0.1027824E-15 Laplacian 0.8617449E+00 (-1/4)Del**2(Rho)) -0.2154362E+00 Diamond 0.3098314E+01 Metallicity 0.7524933E+01 Ellipticity 0.1066102E-02 Gb(Abramov) 0.4138146E+00 Vb(Abramov) -0.6121931E+00 Hb(Abramov) -0.1983784E+00 Ex_ueg -0.1114978E+00 Ec_ueg -0.1459081E-01 Delta_ex -0.1044535E+00 Delta_ec 0.1914512E-01 Delta_et -0.2659864E+00 Pxc 0.7641643E+01 Qxc -0.5455883E+01 3,-1 174 3 -1 -3.146106 -3.242696 0.069736 Rho 0.2521468E+00 |GRAD(Rho)| 0.1094933E-14 GRAD(Rho)x -0.9276434E-15 GRAD(Rho)y -0.5502326E-15 GRAD(Rho)z 0.1886783E-15 Laplacian 0.9214683E+00 (-1/4)Del**2(Rho)) -0.2303671E+00 Diamond 0.3441778E+01 Metallicity 0.7525843E+01 Ellipticity 0.1305833E-02 Gb(Abramov) 0.4425291E+00 Vb(Abramov) -0.6546912E+00 Hb(Abramov) -0.2121620E+00 Ex_ueg -0.1176494E+00 Ec_ueg -0.1528282E-01 Delta_ex -0.1126975E+00 Delta_ec 0.1990734E-01 Delta_et -0.2754210E+00 Pxc 0.7698144E+01 Qxc -0.5661104E+01 3,-1 175 3 -1 -2.965603 2.034182 0.837624 Rho 0.1232223E+00 |GRAD(Rho)| 0.1446286E-15 GRAD(Rho)x -0.7209267E-16 GRAD(Rho)y 0.6609567E-16 GRAD(Rho)z -0.1065432E-15 Laplacian 0.4798352E+00 (-1/4)Del**2(Rho)) -0.1199588E+00 Diamond 0.7620574E+00 Metallicity 0.4381974E+01 Ellipticity 0.3551633E-01 Gb(Abramov) 0.1675819E+00 Vb(Abramov) -0.2152050E+00 Hb(Abramov) -0.4762311E-01 Ex_ueg -0.4528670E-01 Ec_ueg -0.6752100E-02 Delta_ex -0.4905545E-01 Delta_ec 0.1263516E-01 Delta_et -0.1629182E+00 Pxc 0.6707054E+01 Qxc -0.3882455E+01 3,-1 176 3 -1 -0.867103 -1.966532 -3.024397 Rho 0.1508950E+00 |GRAD(Rho)| 0.1469227E-15 GRAD(Rho)x 0.6583818E-16 GRAD(Rho)y -0.1135702E-15 GRAD(Rho)z -0.6598048E-16 Laplacian 0.5890079E+00 (-1/4)Del**2(Rho)) -0.1472520E+00 Diamond 0.1191370E+01 Metallicity 0.5003611E+01 Ellipticity 0.6825086E-01 Gb(Abramov) 0.2209666E+00 Vb(Abramov) -0.2946812E+00 Hb(Abramov) -0.7371462E-01 Ex_ueg -0.5933145E-01 Ec_ueg -0.8500833E-02 Delta_ex -0.6323964E-01 Delta_ec 0.1473159E-01 Delta_et -0.1958244E+00 Pxc 0.6979486E+01 Qxc -0.4292790E+01 3,-1 177 3 -1 -0.561384 2.749669 -1.851882 Rho 0.1185466E+00 |GRAD(Rho)| 0.1004596E-15 GRAD(Rho)x 0.4373401E-16 GRAD(Rho)y 0.7077130E-16 GRAD(Rho)z 0.5631075E-16 Laplacian 0.4923991E+00 (-1/4)Del**2(Rho)) -0.1230998E+00 Diamond 0.7459257E+00 Metallicity 0.4003544E+01 Ellipticity 0.6440157E-02 Gb(Abramov) 0.1642058E+00 Vb(Abramov) -0.2053117E+00 Hb(Abramov) -0.4110597E-01 Ex_ueg -0.4301012E-01 Ec_ueg -0.6461637E-02 Delta_ex -0.4986868E-01 Delta_ec 0.1307116E-01 Delta_et -0.1674062E+00 Pxc 0.6656228E+01 Qxc -0.3815170E+01 3,-1 178 3 -1 0.079080 3.149596 3.249415 Rho 0.2522147E+00 |GRAD(Rho)| 0.2030989E-15 GRAD(Rho)x -0.7025630E-16 GRAD(Rho)y 0.1783513E-15 GRAD(Rho)z 0.6711211E-16 Laplacian 0.9191555E+00 (-1/4)Del**2(Rho)) -0.2297889E+00 Diamond 0.3436073E+01 Metallicity 0.7548168E+01 Ellipticity 0.1789514E-02 Gb(Abramov) 0.4422734E+00 Vb(Abramov) -0.6547579E+00 Hb(Abramov) -0.2124845E+00 Ex_ueg -0.1176916E+00 Ec_ueg -0.1528756E-01 Delta_ex -0.1124317E+00 Delta_ec 0.1987193E-01 Delta_et -0.2750091E+00 Pxc 0.7698521E+01 Qxc -0.5657813E+01 3,-1 179 3 -1 -0.068920 3.143521 -3.256667 Rho 0.2419146E+00 |GRAD(Rho)| 0.2849729E-14 GRAD(Rho)x -0.1539919E-14 GRAD(Rho)y -0.2370554E-14 GRAD(Rho)z 0.3606599E-15 Laplacian 0.8608025E+00 (-1/4)Del**2(Rho)) -0.2152006E+00 Diamond 0.3090789E+01 Metallicity 0.7518762E+01 Ellipticity 0.2170748E-02 Gb(Abramov) 0.4131408E+00 Vb(Abramov) -0.6110810E+00 Hb(Abramov) -0.1979402E+00 Ex_ueg -0.1113271E+00 Ec_ueg -0.1457156E-01 Delta_ex -0.1043088E+00 Delta_ec 0.1913201E-01 Delta_et -0.2657992E+00 Pxc 0.7640028E+01 Qxc -0.5452054E+01 3,-1 180 3 -1 -0.542651 -2.759492 1.830239 Rho 0.1307065E+00 |GRAD(Rho)| 0.2984903E-13 GRAD(Rho)x 0.1883941E-13 GRAD(Rho)y 0.5011284E-14 GRAD(Rho)z 0.2260372E-13 Laplacian 0.5490986E+00 (-1/4)Del**2(Rho)) -0.1372747E+00 Diamond 0.9465360E+00 Metallicity 0.4224655E+01 Ellipticity 0.1103878E-01 Gb(Abramov) 0.1881728E+00 Vb(Abramov) -0.2390709E+00 Hb(Abramov) -0.5089812E-01 Ex_ueg -0.4899079E-01 Ec_ueg -0.7220141E-02 Delta_ex -0.5706437E-01 Delta_ec 0.1448025E-01 Delta_et -0.1889444E+00 Pxc 0.6785296E+01 Qxc -0.3940840E+01 3,-1 181 3 -1 0.468521 -0.485075 0.470666 Rho 0.1864571E+00 |GRAD(Rho)| 0.1592536E-12 GRAD(Rho)x -0.9216239E-13 GRAD(Rho)y 0.9351547E-13 GRAD(Rho)z -0.9012582E-13 Laplacian 0.5158527E+00 (-1/4)Del**2(Rho)) -0.1289632E+00 Diamond 0.1383457E+01 Metallicity 0.8129287E+01 Ellipticity 0.2679670E-02 Gb(Abramov) 0.2607052E+00 Vb(Abramov) -0.3924473E+00 Hb(Abramov) -0.1317421E+00 Ex_ueg -0.7867264E-01 Ec_ueg -0.1081687E-01 Delta_ex -0.5867892E-01 Delta_ec 0.1272134E-01 Delta_et -0.1748743E+00 Pxc 0.7273140E+01 Qxc -0.4612636E+01 3,-1 182 3 -1 1.835104 -0.560143 -2.754858 Rho 0.1410937E+00 |GRAD(Rho)| 0.4000972E-09 GRAD(Rho)x -0.2924528E-09 GRAD(Rho)y -0.2560225E-09 GRAD(Rho)z -0.9487674E-10 Laplacian 0.5922341E+00 (-1/4)Del**2(Rho)) -0.1480585E+00 Diamond 0.1116019E+01 Metallicity 0.4449375E+01 Ellipticity 0.8490795E-02 Gb(Abramov) 0.2085003E+00 Vb(Abramov) -0.2689421E+00 Hb(Abramov) -0.6044180E-01 Ex_ueg -0.5424942E-01 Ec_ueg -0.7875841E-02 Delta_ex -0.6266446E-01 Delta_ec 0.1527254E-01 Delta_et -0.2015578E+00 Pxc 0.6888080E+01 Qxc -0.4103082E+01 3,-1 183 3 -1 1.764185 -0.547365 1.716585 Rho 0.4177466E-01 |GRAD(Rho)| 0.9475060E-14 GRAD(Rho)x 0.6461157E-14 GRAD(Rho)y 0.3367456E-14 GRAD(Rho)z 0.6057265E-14 Laplacian 0.1766164E+00 (-1/4)Del**2(Rho)) -0.4415411E-01 Diamond 0.7151731E-01 Metallicity 0.1962322E+01 Ellipticity 0.1125753E-01 Gb(Abramov) 0.4387683E-01 Vb(Abramov) -0.4359956E-01 Hb(Abramov) 0.2772764E-03 Ex_ueg -0.1070538E-01 Ec_ueg -0.1965525E-02 Delta_ex -0.1397502E-01 Delta_ec 0.5405653E-02 Delta_et -0.5437322E-01 Pxc 0.5446578E+01 Qxc -0.2585261E+01 3,-1 184 3 -1 2.028448 -0.842262 2.978549 Rho 0.1223435E+00 |GRAD(Rho)| 0.2645280E-12 GRAD(Rho)x -0.1504200E-12 GRAD(Rho)y -0.1843192E-12 GRAD(Rho)z 0.1156516E-12 Laplacian 0.4760551E+00 (-1/4)Del**2(Rho)) -0.1190138E+00 Diamond 0.7503046E+00 Metallicity 0.4364396E+01 Ellipticity 0.3426019E-01 Gb(Abramov) 0.1659131E+00 Vb(Abramov) -0.2128124E+00 Hb(Abramov) -0.4689929E-01 Ex_ueg -0.4485660E-01 Ec_ueg -0.6697393E-02 Delta_ex -0.4859506E-01 Delta_ec 0.1257381E-01 Delta_et -0.1619605E+00 Pxc 0.6697620E+01 Qxc -0.3864784E+01 3,-1 185 3 -1 2.759366 -1.826421 -0.550738 Rho 0.1345602E+00 |GRAD(Rho)| 0.2228641E-15 GRAD(Rho)x -0.3852306E-16 GRAD(Rho)y -0.2094543E-15 GRAD(Rho)z 0.6567555E-16 Laplacian 0.5648260E+00 (-1/4)Del**2(Rho)) -0.1412065E+00 Diamond 0.1007934E+01 Metallicity 0.4310816E+01 Ellipticity 0.1010875E-01 Gb(Abramov) 0.1955902E+00 Vb(Abramov) -0.2499739E+00 Hb(Abramov) -0.5438371E-01 Ex_ueg -0.5092611E-01 Ec_ueg -0.7462596E-02 Delta_ex -0.5910863E-01 Delta_ec 0.1478539E-01 Delta_et -0.1938145E+00 Pxc 0.6824182E+01 Qxc -0.3997773E+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 77 78 79 80 81 82 149 115 180 150 134 127 107 147 73 176 111 125 140 130 177 139 146 179 129 138 145 113 118 178 54 185 161 160 162 168 153 169 154 170 155 171 62 85 92 175 93 67 60 89 87 63 86 174 94 77 96 66 83 76 97 69 95 79 100 75 183 167 156 164 184 173 109 165 182 137 159 172 181 116 131 122 74 158 82 128 132 117 1 1 1 1 1 1 2 2 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 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 19 20 23 24 27 28 2.375979 1.920169 1.966378 1.919569 1.961458 1.724669 2.415962 1.939974 2.001084 1.897630 1.967895 1.713992 2.422495 1.898064 1.982935 1.931440 1.992292 1.713895 2.380168 1.891552 1.943416 1.938407 1.995313 1.725027 2.377509 1.954885 1.891111 1.990148 1.935232 1.725283 2.385960 1.966098 1.928965 1.953665 1.915200 1.724586 2.426245 2.014707 1.904889 1.979517 1.907316 1.713783 2.370335 1.946354 1.908642 1.981001 1.931951 1.725075 2.407223 1.880629 1.991280 1.921698 2.020649 1.714726 2.379825 1.927388 1.956369 1.924184 1.957831 1.724576 2.422088 1.916498 1.992509 1.915142 1.982437 1.713426 2.381476 1.918549 1.936473 1.941408 1.966938 1.724563 1.696842 1.692324 1.695314 1.696294 3.263826 3.259430 3.271021 3.256102 3.272553 3.254421 2.377702 1.920596 1.966745 1.920229 1.962135 1.724674 2.417538 1.940543 2.001723 1.898385 1.968717 1.714006 2.424048 1.898677 1.983502 1.932254 1.993214 1.713908 2.381893 1.892004 1.943781 1.939095 1.995993 1.725032 2.379210 1.955240 1.891555 1.990816 1.935914 1.725287 2.387744 1.966509 1.929406 1.954329 1.915855 1.724591 2.427816 2.015329 1.905501 1.980401 1.908076 1.713798 2.372094 1.946735 1.909062 1.981669 1.932635 1.725078 2.409066 1.881213 1.991866 1.922503 2.021441 1.714739 2.381523 1.927821 1.956748 1.924868 1.958498 1.724580 2.423588 1.917053 1.993096 1.915935 1.983313 1.713439 2.383181 1.918980 1.936901 1.942101 1.967602 1.724568 1.696845 1.692327 1.695318 1.696298 3.274135 3.269563 3.283751 3.268048 3.281730 3.265840 30 25 25 28 27 23 27 27 26 24 23 22 31 28 24 26 29 21 32 28 28 25 28 23 30 25 27 28 26 22 31 25 27 25 27 23 30 27 25 25 27 25 30 25 26 28 25 22 27 27 25 28 26 23 27 27 26 27 26 22 27 27 27 27 25 22 27 27 25 28 26 22 23 23 23 23 35 35 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 52 53 W Mo Mo W W W Mo W Mo 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 O As 2.5150 2.3833 2.3964 2.5083 2.5109 2.5077 2.3999 2.5002 2.3890 2.5142 2.4016 2.5099 -1.1401 -1.1360 -1.1403 -1.1400 -0.9509 -0.9482 -0.8887 -0.9167 -0.9182 -0.9210 -0.8923 -0.9515 -0.8940 -0.9492 -0.9490 -0.9222 -0.9019 -0.9025 -0.9429 -0.9104 -0.9103 -0.9045 -0.9444 -0.8755 -0.9082 -0.9009 -0.9437 -0.9108 -0.7371 -0.6568 -0.6580 -0.7377 -0.7387 -0.7361 -0.6579 -0.7368 -0.6592 -0.7366 -0.6568 -0.7357 2.5253 2.0820 1.9354 1.9356 2.0828 2.0813 2.0831 1.9327 2.0871 1.9198 2.0836 1.9416 2.0828 1.9361 1.9383 1.9369 1.9365 1.9346 1.9354 1.9461 1.9396 1.9387 1.9385 1.9451 1.9342 1.9443 1.9349 1.9351 1.9384 1.9518 1.9532 1.9490 1.9498 1.9497 1.9511 1.9489 1.9538 1.9512 1.9522 1.9489 1.9498 1.9748 1.9863 1.9863 1.9747 1.9745 1.9748 1.9863 1.9750 1.9858 1.9749 1.9866 1.9748 0.8029 6.0838 6.0594 6.0452 6.0836 6.0831 6.0839 6.0441 6.0889 6.0553 6.0842 6.0473 6.0835 5.1643 5.1579 5.1637 5.1638 4.9861 4.9824 4.9159 4.9493 4.9514 4.9538 4.9208 4.9872 4.9235 4.9839 4.9837 4.9554 4.9197 4.9186 4.9611 4.9301 4.9298 4.9227 4.9627 4.8933 4.9263 4.9180 4.9619 4.9304 4.7239 4.6342 4.6353 4.7247 4.7260 4.7230 4.6352 4.7235 4.6371 4.7234 4.6339 4.7225 1.1231 3.2903 3.6219 3.6228 3.2964 3.2958 3.2965 3.6232 3.2948 3.6358 3.2891 3.6095 3.2948 0.0397 0.0397 0.0397 0.0397 0.0302 0.0304 0.0267 0.0279 0.0281 0.0287 0.0264 0.0301 0.0263 0.0304 0.0303 0.0284 0.0304 0.0306 0.0328 0.0305 0.0307 0.0307 0.0328 0.0285 0.0307 0.0307 0.0329 0.0306 0.0383 0.0363 0.0363 0.0382 0.0382 0.0383 0.0364 0.0383 0.0363 0.0383 0.0364 0.0383 10.5487 14.0289 0.0000 0.0000 14.0289 14.0289 14.0289 0.0000 14.0290 0.0000 14.0289 0.0000 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 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 53 W Mo Mo W W W Mo W Mo 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 O As 2.522799 3.180760 3.178801 2.520434 2.519598 2.521562 3.177963 2.522046 3.177338 2.522970 3.180443 2.522019 -1.138750 -1.175780 -1.137581 -1.137541 -0.942632 -0.939014 -1.155171 -1.059764 -1.054714 -1.039183 -1.159618 -0.942517 -1.161398 -0.940527 -0.939589 -1.038954 -1.024699 -1.021371 -0.907921 -1.011645 -1.010375 -1.021605 -0.908877 -1.117715 -1.011962 -1.025941 -0.908594 -1.007771 -0.760013 -0.922439 -0.922535 -0.760802 -0.761925 -0.759230 -0.922156 -0.759262 -0.922916 -0.759760 -0.922745 -0.758730 2.326990 1.953673 2.378164 2.385928 1.958644 1.958354 1.958617 2.387088 1.957158 2.390792 1.952785 2.374851 1.958062 -0.818914 -0.875777 -0.825354 -0.823013 -0.702798 -0.704285 -0.905911 -0.809220 -0.801417 -0.804970 -0.904947 -0.704861 -0.906026 -0.705209 -0.701634 -0.804796 -0.828521 -0.820627 -0.733088 -0.820169 -0.824329 -0.818333 -0.735520 -0.903249 -0.819999 -0.824618 -0.735995 -0.819993 -0.638864 -0.674308 -0.672719 -0.636282 -0.637713 -0.635960 -0.671211 -0.633233 -0.667469 -0.639185 -0.678072 -0.635277 1.689750 2.047984 2.456070 2.465099 2.052317 2.052487 2.053627 2.465831 2.050487 2.467680 2.046708 2.453724 2.053055 -0.852273 -0.892385 -0.856634 -0.855484 -0.782537 -0.783307 -0.979457 -0.888825 -0.882802 -0.878050 -0.978422 -0.785137 -0.983884 -0.782909 -0.782342 -0.881220 -0.861614 -0.860421 -0.770277 -0.853274 -0.857802 -0.850750 -0.773984 -0.933948 -0.860125 -0.855459 -0.773420 -0.852852 -0.604477 -0.634927 -0.635313 -0.601277 -0.603036 -0.601572 -0.634185 -0.594510 -0.626676 -0.604831 -0.640717 -0.599556 1.665605 -0.93266740 1.18052207 -1.96581369 2.47546446 -0.81558429 -4.11379858 7.86163396 -1.77105251 -0.40892487 2.58663679 -387.0972 414.3207 -102.7534 -366.0769 -10.3112 -451.9180 Jun10-2024 15:28:32 Nodes: 1 Procs: 1 Jun10-2024 15:28:37 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:43 Nodes: 1 Procs: 1 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Jun10-2024 15:29:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:08 Nodes: 1 Procs: 1 Jun10-2024 15:29:13 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:29 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.53392068 -16.60022814 -16.60417154 -16.60592505 -16.60649753 -16.60709728 -16.60720467 -16.60733302 -16.60738968 -16.60748251 -16.60752390 -16.60757396 -16.60761425 -16.60765562 -16.60767285 -16.60768169 GEOMETRY CONVERGED