ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:05:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 12.02 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:05:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.06 3.42 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 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 Jun20-2024 10:05:52 Nodes: 1 Procs: 1 Jun20-2024 10:05:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:06:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.06 2.98 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 Jun20-2024 10:05:52 Nodes: 1 Procs: 1 Jun20-2024 10:05:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:06:00 Nodes: 1 Procs: 1 Jun20-2024 10:06:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:06:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 2.21 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 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 Jun20-2024 10:05:52 Nodes: 1 Procs: 1 Jun20-2024 10:05:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:06:00 Nodes: 1 Procs: 1 Jun20-2024 10:06:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:06:08 Nodes: 1 Procs: 1 Jun20-2024 10:06:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:06:14 Hydrogen (TZP) c1-31 c1-31 c1-31 c1-31 c1-31 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.06 4.49 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 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 Jun20-2024 10:05:52 Nodes: 1 Procs: 1 Jun20-2024 10:05:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:06:00 Nodes: 1 Procs: 1 Jun20-2024 10:06:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:06:08 Nodes: 1 Procs: 1 Jun20-2024 10:06:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 10:06:14 Nodes: 1 Procs: 1 Jun20-2024 10:06:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 10:06:25 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2703.785600000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun20-2024 10:06:18 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 10:05:55 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun20-2024 10:06:03 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 10:06:11 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 10:05:41 1 1 Hydrogen TZP 1 1 -17.04636634 0.24076639 0.00100000 F 0.08794338 0.00066667 F 0.24076639 0.08794338 0.29992415 0.01000000 F 0.07801227 0.00666667 F Cartesian 2703.785600000006 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-1.105617 -1.004614 -1.009872 Rho 0.3190874E+03 3,-3 15 3 -3 0.948959 0.936361 -0.995762 Rho 0.3190175E+03 3,-3 16 3 -3 -1.001515 0.977193 0.995890 Rho 0.3189933E+03 3,-3 17 3 -3 -3.064020 -1.128730 1.265081 Rho 0.3188635E+03 3,-3 18 3 -3 3.142051 -1.184328 -1.139405 Rho 0.3188006E+03 3,-3 19 3 -3 -3.138176 1.173632 -1.110085 Rho 0.3189189E+03 3,-3 20 3 -3 2.993247 1.156687 1.194400 Rho 0.3188537E+03 3,-3 21 3 -3 1.453848 -1.328959 -3.242785 Rho 0.3186397E+03 3,-3 22 3 -3 1.119118 1.124714 2.999862 Rho 0.3188724E+03 3,-3 23 3 -3 -1.261161 1.193860 -3.146250 Rho 0.3187956E+03 3,-3 24 3 -3 -1.121574 -1.085090 3.063542 Rho 0.3188620E+03 3,-3 25 3 -3 -1.149869 3.116095 -1.160351 Rho 0.3188033E+03 3,-3 26 3 -3 -1.197941 -3.011563 1.304980 Rho 0.3189074E+03 3,-3 27 3 -3 1.152303 3.012439 1.193078 Rho 0.3188512E+03 3,-3 28 3 -3 1.200956 -3.208794 -1.235838 Rho 0.3190083E+03 3,-3 29 3 -3 3.434382 -1.494221 1.623152 Rho 0.3189898E+03 3,-3 30 3 -3 -3.575061 -1.626372 -1.568402 Rho 0.3188312E+03 3,-3 31 3 -3 3.513879 1.575598 -1.396406 Rho 0.3189131E+03 3,-3 32 3 -3 -3.448140 1.536501 1.682476 Rho 0.3189243E+03 3,-3 33 3 -3 1.492056 -1.471242 3.479882 Rho 0.3189034E+03 3,-3 34 3 -3 1.602100 1.508501 -3.457008 Rho 0.3188360E+03 3,-3 35 3 -3 -1.484924 1.524778 3.508440 Rho 0.3189048E+03 3,-3 36 3 -3 -2.011566 -1.433381 -3.950558 Rho 0.3190288E+03 3,-3 37 3 -3 -1.528322 -3.766200 -1.277361 Rho 0.3186275E+03 3,-3 38 3 -3 -1.466827 3.462534 1.637609 Rho 0.3189574E+03 3,-3 39 3 -3 1.475454 -3.456803 1.643578 Rho 0.3189052E+03 3,-3 40 3 -3 1.575564 3.453244 -1.454328 Rho 0.3189463E+03 3,-3 41 3 -3 -0.241529 -3.701264 3.881894 Rho 0.3191765E+03 3,-3 42 3 -3 4.057949 -0.075325 -3.764082 Rho 0.3190472E+03 3,-3 43 3 -3 -0.164717 3.807166 -3.855354 Rho 0.3190420E+03 3,-3 44 3 -3 0.285457 3.729765 3.836462 Rho 0.3191804E+03 3,-3 45 3 -3 3.807733 -3.899695 -0.148180 Rho 0.3190214E+03 3,-3 46 3 -3 3.746374 3.799428 0.316483 Rho 0.3191867E+03 3,-3 47 3 -3 -3.842746 3.845901 -0.162433 Rho 0.3190229E+03 3,-3 48 3 -3 -3.928518 -3.759083 0.298506 Rho 0.3190620E+03 3,-3 49 3 -3 -4.133062 0.406523 -3.707756 Rho 0.3189928E+03 3,-3 50 3 -3 -3.724303 -0.214229 3.881056 Rho 0.3191808E+03 3,-3 51 3 -3 3.736602 0.254458 3.808770 Rho 0.3191788E+03 3,-3 52 3 -3 1.203218 -1.985763 -2.524437 Rho 0.4325954E+00 3,-3 53 3 -3 -0.566730 -3.467776 -1.273739 Rho 0.4300775E+00 3,-3 54 3 +1 0.393809 -1.824830 -0.722928 Rho 0.6320364E-02 |GRAD(Rho)| 0.1987588E-11 GRAD(Rho)x 0.1800157E-11 GRAD(Rho)y 0.2745722E-12 GRAD(Rho)z -0.7965869E-12 Laplacian 0.2270207E-01 (-1/4)Del**2(Rho)) -0.5675517E-02 Diamond 0.5132104E-03 Metallicity 0.6558199E+00 Ellipticity -0.1838054E+01 Gb(Abramov) 0.4404031E-02 Vb(Abramov) -0.3132545E-02 Hb(Abramov) 0.1271486E-02 Ex_ueg -0.8630604E-03 Ec_ueg -0.2041686E-03 Delta_ex -0.1037560E-02 Delta_ec 0.4572137E-03 Delta_et -0.2764357E-02 Pxc 0.4227194E+01 Qxc -0.2269311E+01 3,+1 55 3 +1 -1.732570 -0.552248 0.576551 Rho 0.8686287E-02 |GRAD(Rho)| 0.1469353E-14 GRAD(Rho)x 0.3545040E-15 GRAD(Rho)y 0.1205242E-14 GRAD(Rho)z -0.7620487E-15 Laplacian 0.3262966E-01 (-1/4)Del**2(Rho)) -0.8157414E-02 Diamond 0.8924475E-03 Metallicity 0.7751593E+00 Ellipticity -0.1505649E+01 Gb(Abramov) 0.6492159E-02 Vb(Abramov) -0.4826903E-02 Hb(Abramov) 0.1665256E-02 Ex_ueg -0.1318755E-02 Ec_ueg -0.3088425E-03 Delta_ex -0.1497657E-02 Delta_ec 0.4649259E-03 Delta_et -0.3181237E-02 Pxc 0.4269991E+01 Qxc -0.3221282E+01 3,+1 56 3 +1 -1.836331 1.776101 -1.802940 Rho 0.1046766E-01 |GRAD(Rho)| 0.9097285E-15 GRAD(Rho)x 0.7307560E-15 GRAD(Rho)y 0.3985196E-15 GRAD(Rho)z -0.3671290E-15 Laplacian 0.4469188E-01 (-1/4)Del**2(Rho)) -0.1117297E-01 Diamond 0.1386061E-02 Metallicity 0.7723262E+00 Ellipticity -0.1304561E+01 Gb(Abramov) 0.8886844E-02 Vb(Abramov) -0.6600716E-02 Hb(Abramov) 0.2286127E-02 Ex_ueg -0.1691160E-02 Ec_ueg -0.3893012E-03 Delta_ex -0.2085109E-02 Delta_ec 0.5187676E-03 Delta_et -0.3811566E-02 Pxc 0.4344091E+01 Qxc -0.4019351E+01 3,+1 57 3 -1 -3.335794 -3.204360 0.085252 Rho 0.2010047E+00 |GRAD(Rho)| 0.2667075E-15 GRAD(Rho)x 0.2612927E-15 GRAD(Rho)y -0.4770490E-16 GRAD(Rho)z 0.2415060E-16 Laplacian 0.7736105E+00 (-1/4)Del**2(Rho)) -0.1934026E+00 Diamond 0.2214423E+01 Metallicity 0.6143765E+01 Ellipticity 0.5591832E-02 Gb(Abramov) 0.3269718E+00 Vb(Abramov) -0.4605410E+00 Hb(Abramov) -0.1335692E+00 Ex_ueg -0.8696145E-01 Ec_ueg -0.1178528E-01 Delta_ex -0.8930662E-01 Delta_ec 0.1802246E-01 Delta_et -0.2473134E+00 Pxc 0.7378819E+01 Qxc -0.4955296E+01 3,-1 58 3 +1 -1.759956 0.532488 -0.538374 Rho 0.8572851E-02 |GRAD(Rho)| 0.7100676E-13 GRAD(Rho)x 0.1226616E-13 GRAD(Rho)y -0.5231570E-13 GRAD(Rho)z 0.4641735E-13 Laplacian 0.3122032E-01 (-1/4)Del**2(Rho)) -0.7805080E-02 Diamond 0.8378769E-03 Metallicity 0.7925949E+00 Ellipticity -0.1539627E+01 Gb(Abramov) 0.6234431E-02 Vb(Abramov) -0.4663782E-02 Hb(Abramov) 0.1570649E-02 Ex_ueg -0.1295842E-02 Ec_ueg -0.3037656E-03 Delta_ex -0.1427828E-02 Delta_ec 0.4441465E-03 Delta_et -0.3029331E-02 Pxc 0.4265928E+01 Qxc -0.3214768E+01 3,+1 59 3 -1 -2.039370 -3.186435 -0.743972 Rho 0.1287320E+00 |GRAD(Rho)| 0.1823302E-15 GRAD(Rho)x -0.5438629E-16 GRAD(Rho)y 0.1207530E-15 GRAD(Rho)z 0.1253202E-15 Laplacian 0.4922107E+00 (-1/4)Del**2(Rho)) -0.1230527E+00 Diamond 0.8687955E+00 Metallicity 0.4594866E+01 Ellipticity 0.9787526E-01 Gb(Abramov) 0.1762702E+00 Vb(Abramov) -0.2294878E+00 Hb(Abramov) -0.5321754E-01 Ex_ueg -0.4800653E-01 Ec_ueg -0.7096298E-02 Delta_ex -0.5140131E-01 Delta_ec 0.1380573E-01 Delta_et -0.1811166E+00 Pxc 0.6765011E+01 Qxc -0.3723188E+01 3,-1 60 3 -1 -3.143170 -0.954689 -2.128044 Rho 0.1053892E+00 |GRAD(Rho)| 0.8712397E-14 GRAD(Rho)x 0.1552923E-14 GRAD(Rho)y 0.5880360E-14 GRAD(Rho)z -0.6238242E-14 Laplacian 0.4265613E+00 (-1/4)Del**2(Rho)) -0.1066403E+00 Diamond 0.5857271E+00 Metallicity 0.3798613E+01 Ellipticity 0.8705195E-02 Gb(Abramov) 0.1386078E+00 Vb(Abramov) -0.1705752E+00 Hb(Abramov) -0.3196744E-01 Ex_ueg -0.3676600E-01 Ec_ueg -0.5652649E-02 Delta_ex -0.4241012E-01 Delta_ec 0.1234152E-01 Delta_et -0.1556667E+00 Pxc 0.6504207E+01 Qxc -0.3436379E+01 3,-1 61 3 +1 -3.043194 -0.280132 -0.228364 Rho 0.5034030E-02 |GRAD(Rho)| 0.4925019E-17 GRAD(Rho)x -0.1504356E-19 GRAD(Rho)y 0.4924125E-17 GRAD(Rho)z -0.9263285E-19 Laplacian 0.1898617E-01 (-1/4)Del**2(Rho)) -0.4746542E-02 Diamond 0.3190005E-03 Metallicity 0.5366636E+00 Ellipticity -0.1534126E+01 Gb(Abramov) 0.3588911E-02 Vb(Abramov) -0.2431279E-02 Hb(Abramov) 0.1157631E-02 Ex_ueg -0.6371956E-03 Ec_ueg -0.1483775E-03 Delta_ex -0.8275951E-03 Delta_ec 0.3878690E-03 Delta_et -0.2195585E-02 Pxc 0.4294421E+01 Qxc -0.2133697E+01 3,+1 62 3 -1 -3.130296 -2.056935 -0.910971 Rho 0.1471967E+00 |GRAD(Rho)| 0.3545315E-15 GRAD(Rho)x 0.6571620E-16 GRAD(Rho)y -0.1982599E-15 GRAD(Rho)z 0.2864733E-15 Laplacian 0.5913157E+00 (-1/4)Del**2(Rho)) -0.1478289E+00 Diamond 0.1188002E+01 Metallicity 0.4782160E+01 Ellipticity 0.5551852E-01 Gb(Abramov) 0.2163762E+00 Vb(Abramov) -0.2849235E+00 Hb(Abramov) -0.6854728E-01 Ex_ueg -0.5740054E-01 Ec_ueg -0.8264308E-02 Delta_ex -0.6337734E-01 Delta_ec 0.1537512E-01 Delta_et -0.2048078E+00 Pxc 0.6945596E+01 Qxc -0.4122071E+01 3,-1 63 3 -1 -3.460806 0.119528 -3.271269 Rho 0.1895674E+00 |GRAD(Rho)| 0.9254800E-15 GRAD(Rho)x 0.8989662E-15 GRAD(Rho)y 0.1567485E-15 GRAD(Rho)z 0.1542820E-15 Laplacian 0.7103521E+00 (-1/4)Del**2(Rho)) -0.1775880E+00 Diamond 0.1916808E+01 Metallicity 0.6068465E+01 Ellipticity 0.2170649E-01 Gb(Abramov) 0.2980065E+00 Vb(Abramov) -0.4184249E+00 Hb(Abramov) -0.1204185E+00 Ex_ueg -0.8042725E-01 Ec_ueg -0.1102292E-01 Delta_ex -0.8094751E-01 Delta_ec 0.1709658E-01 Delta_et -0.2343518E+00 Pxc 0.7296369E+01 Qxc -0.4734720E+01 3,-1 64 3 -1 -1.833064 -1.740111 -0.561637 Rho 0.5055177E-01 |GRAD(Rho)| 0.1211116E-14 GRAD(Rho)x -0.6869801E-15 GRAD(Rho)y -0.9687855E-15 GRAD(Rho)z 0.2373098E-15 Laplacian 0.2134674E+00 (-1/4)Del**2(Rho)) -0.5336686E-01 Diamond 0.1183114E+00 Metallicity 0.2231048E+01 Ellipticity 0.2358650E-01 Gb(Abramov) 0.5542191E-01 Vb(Abramov) -0.5747695E-01 Hb(Abramov) -0.2055047E-02 Ex_ueg -0.1380491E-01 Ec_ueg -0.2445396E-02 Delta_ex -0.1797953E-01 Delta_ec 0.7002446E-02 Delta_et -0.7424000E-01 Pxc 0.5645264E+01 Qxc -0.2567607E+01 3,-1 65 3 +1 -0.663323 -1.686087 0.548036 Rho 0.8374072E-02 |GRAD(Rho)| 0.1148244E-13 GRAD(Rho)x -0.8601979E-14 GRAD(Rho)y 0.4738845E-14 GRAD(Rho)z -0.5949435E-14 Laplacian 0.3118540E-01 (-1/4)Del**2(Rho)) -0.7796349E-02 Diamond 0.8214396E-03 Metallicity 0.7630560E+00 Ellipticity -0.1515444E+01 Gb(Abramov) 0.6189074E-02 Vb(Abramov) -0.4581800E-02 Hb(Abramov) 0.1607275E-02 Ex_ueg -0.1255935E-02 Ec_ueg -0.2948828E-03 Delta_ex -0.1422868E-02 Delta_ec 0.4526743E-03 Delta_et -0.3061545E-02 Pxc 0.4259100E+01 Qxc -0.3143248E+01 3,+1 66 3 -1 -3.194479 -0.057808 3.282488 Rho 0.2254722E+00 |GRAD(Rho)| 0.1907014E-13 GRAD(Rho)x 0.1219245E-13 GRAD(Rho)y 0.3692440E-14 GRAD(Rho)z -0.1419085E-13 Laplacian 0.8353043E+00 (-1/4)Del**2(Rho)) -0.2088261E+00 Diamond 0.2739140E+01 Metallicity 0.6890598E+01 Ellipticity 0.2770953E-02 Gb(Abramov) 0.3790402E+00 Vb(Abramov) -0.5492542E+00 Hb(Abramov) -0.1702141E+00 Ex_ueg -0.1013544E+00 Ec_ueg -0.1344064E-01 Delta_ex -0.9928773E-01 Delta_ec 0.1877941E-01 Delta_et -0.2593889E+00 Pxc 0.7540892E+01 Qxc -0.5287053E+01 3,-1 67 3 +1 -0.373132 -1.156937 -2.816989 Rho 0.2452175E-02 |GRAD(Rho)| 0.6329746E-17 GRAD(Rho)x -0.6533719E-19 GRAD(Rho)y -0.3041736E-17 GRAD(Rho)z 0.5550608E-17 Laplacian 0.8688378E-02 (-1/4)Del**2(Rho)) -0.2172094E-02 Diamond 0.5410346E-04 Metallicity 0.3536662E+00 Ellipticity -0.1304437E+01 Gb(Abramov) 0.1576096E-02 Vb(Abramov) -0.9800969E-03 Hb(Abramov) 0.5959987E-03 Ex_ueg -0.2442233E-03 Ec_ueg -0.3897318E-04 Delta_ex -0.3221878E-03 Delta_ec 0.1715707E-03 Delta_et -0.7933005E-03 Pxc 0.6266444E+01 Qxc -0.1877872E+01 3,+1 68 3 +1 -2.294673 -1.036403 -1.551728 Rho 0.2392581E-01 |GRAD(Rho)| 0.7966145E-14 GRAD(Rho)x -0.2315699E-14 GRAD(Rho)y 0.4045275E-14 GRAD(Rho)z -0.6460090E-14 Laplacian 0.9078893E-01 (-1/4)Del**2(Rho)) -0.2269723E-01 Diamond 0.9394822E-02 Metallicity 0.1507850E+01 Ellipticity -0.2141769E+01 Gb(Abramov) 0.2083549E-01 Vb(Abramov) -0.1897375E-01 Hb(Abramov) 0.1861741E-02 Ex_ueg -0.5091831E-02 Ec_ueg -0.1034784E-02 Delta_ex -0.5375520E-02 Delta_ec 0.1174065E-02 Delta_et -0.1034869E-01 Pxc 0.4920671E+01 Qxc -0.4578554E+01 3,+1 69 3 -1 -2.916985 0.515867 -1.894285 Rho 0.7186764E-01 |GRAD(Rho)| 0.1565426E-12 GRAD(Rho)x 0.3112044E-13 GRAD(Rho)y -0.1050815E-12 GRAD(Rho)z -0.1117809E-12 Laplacian 0.3090400E+00 (-1/4)Del**2(Rho)) -0.7726001E-01 Diamond 0.2664297E+00 Metallicity 0.2770049E+01 Ellipticity 0.1153882E-01 Gb(Abramov) 0.8717567E-01 Vb(Abramov) -0.9709133E-01 Hb(Abramov) -0.9915662E-02 Ex_ueg -0.2206800E-01 Ec_ueg -0.3655240E-02 Delta_ex -0.2816689E-01 Delta_ec 0.9651060E-02 Delta_et -0.1118619E+00 Pxc 0.6037358E+01 Qxc -0.2918528E+01 3,-1 70 3 -1 -3.026819 0.879207 2.092120 Rho 0.1648422E+00 |GRAD(Rho)| 0.8627843E-14 GRAD(Rho)x 0.3433411E-14 GRAD(Rho)y -0.6241616E-14 GRAD(Rho)z 0.4867607E-14 Laplacian 0.6413884E+00 (-1/4)Del**2(Rho)) -0.1603471E+00 Diamond 0.1447969E+01 Metallicity 0.5324424E+01 Ellipticity 0.4741714E-01 Gb(Abramov) 0.2491907E+00 Vb(Abramov) -0.3380344E+00 Hb(Abramov) -0.8884363E-01 Ex_ueg -0.6675383E-01 Ec_ueg -0.9400301E-02 Delta_ex -0.7043730E-01 Delta_ec 0.1576945E-01 Delta_et -0.2122073E+00 Pxc 0.7101244E+01 Qxc -0.4466694E+01 3,-1 71 3 +3 -1.184670 1.096073 -1.208089 Rho 0.4785368E-02 |GRAD(Rho)| 0.1084588E-15 GRAD(Rho)x 0.5796942E-17 GRAD(Rho)y 0.4152712E-16 GRAD(Rho)z -0.1000260E-15 Laplacian 0.1686663E-01 (-1/4)Del**2(Rho)) -0.4216657E-02 Diamond 0.1046521E-03 Metallicity 0.5551928E+00 Ellipticity -0.2588366E+00 Gb(Abramov) 0.3201281E-02 Vb(Abramov) -0.2185905E-02 Hb(Abramov) 0.1015376E-02 Ex_ueg -0.5955783E-03 Ec_ueg -0.1376880E-03 Delta_ex -0.5695171E-03 Delta_ec 0.6328598E-04 Delta_et -0.5292091E-03 Pxc 0.4325563E+01 Qxc -0.8999104E+01 3,+3 72 3 -1 -2.872410 1.804483 -0.579543 Rho 0.1729192E+00 |GRAD(Rho)| 0.3686226E-13 GRAD(Rho)x 0.1092103E-13 GRAD(Rho)y -0.3046548E-13 GRAD(Rho)z -0.1764685E-13 Laplacian 0.7018615E+00 (-1/4)Del**2(Rho)) -0.1754654E+00 Diamond 0.1689095E+01 Metallicity 0.5269473E+01 Ellipticity 0.1783523E-01 Gb(Abramov) 0.2710786E+00 Vb(Abramov) -0.3666918E+00 Hb(Abramov) -0.9561322E-01 Ex_ueg -0.7115019E-01 Ec_ueg -0.9926478E-02 Delta_ex -0.7809571E-01 Delta_ec 0.1720464E-01 Delta_et -0.2332595E+00 Pxc 0.7167718E+01 Qxc -0.4539225E+01 3,-1 73 3 -1 -3.027958 2.006790 0.900194 Rho 0.9125252E-01 |GRAD(Rho)| 0.7244492E-15 GRAD(Rho)x 0.2886078E-15 GRAD(Rho)y -0.6504874E-15 GRAD(Rho)z -0.1356405E-15 Laplacian 0.3790336E+00 (-1/4)Del**2(Rho)) -0.9475840E-01 Diamond 0.4372887E+00 Metallicity 0.3362613E+01 Ellipticity 0.7832491E-02 Gb(Abramov) 0.1162782E+00 Vb(Abramov) -0.1377981E+00 Hb(Abramov) -0.2151984E-01 Ex_ueg -0.3034205E-01 Ec_ueg -0.4798281E-02 Delta_ex -0.3645736E-01 Delta_ec 0.1130641E-01 Delta_et -0.1383960E+00 Pxc 0.6323525E+01 Qxc -0.3224485E+01 3,-1 74 3 +1 -1.795055 -1.730879 1.839934 Rho 0.1205529E-01 |GRAD(Rho)| 0.5325203E-12 GRAD(Rho)x -0.3479677E-12 GRAD(Rho)y 0.3928754E-12 GRAD(Rho)z 0.9025116E-13 Laplacian 0.5908983E-01 (-1/4)Del**2(Rho)) -0.1477246E-01 Diamond 0.2341665E-02 Metallicity 0.7391454E+00 Ellipticity -0.1267677E+01 Gb(Abramov) 0.1166814E-01 Vb(Abramov) -0.8563817E-02 Hb(Abramov) 0.3104320E-02 Ex_ueg -0.2041528E-02 Ec_ueg -0.4621220E-03 Delta_ex -0.2896260E-02 Delta_ec 0.7459357E-03 Delta_et -0.5615702E-02 Pxc 0.4417725E+01 Qxc -0.3882721E+01 3,+1 75 3 -1 -3.259531 3.238443 -0.071481 Rho 0.1938098E+00 |GRAD(Rho)| 0.2195132E-15 GRAD(Rho)x 0.1388321E-15 GRAD(Rho)y -0.1504873E-15 GRAD(Rho)z 0.7915353E-16 Laplacian 0.7374366E+00 (-1/4)Del**2(Rho)) -0.1843591E+00 Diamond 0.2022201E+01 Metallicity 0.6065239E+01 Ellipticity 0.4682760E-02 Gb(Abramov) 0.3092698E+00 Vb(Abramov) -0.4341805E+00 Hb(Abramov) -0.1249107E+00 Ex_ueg -0.8283603E-01 Ec_ueg -0.1130484E-01 Delta_ex -0.8435558E-01 Delta_ec 0.1737417E-01 Delta_et -0.2377744E+00 Pxc 0.7327486E+01 Qxc -0.4855229E+01 3,-1 76 3 +3 -2.413459 -0.018227 0.024328 Rho 0.4541146E-02 |GRAD(Rho)| 0.8973019E-15 GRAD(Rho)x 0.6654228E-15 GRAD(Rho)y 0.3838180E-15 GRAD(Rho)z 0.4637315E-15 Laplacian 0.1789990E-01 (-1/4)Del**2(Rho)) -0.4474974E-02 Diamond 0.1511399E-03 Metallicity 0.4794078E+00 Ellipticity -0.4854243E+00 Gb(Abramov) 0.3340872E-02 Vb(Abramov) -0.2206770E-02 Hb(Abramov) 0.1134102E-02 Ex_ueg -0.5553998E-03 Ec_ueg -0.1272202E-03 Delta_ex -0.6460570E-03 Delta_ec 0.1572010E-03 Delta_et -0.9952678E-03 Pxc 0.4365657E+01 Qxc -0.4109751E+01 3,+3 77 3 -1 -2.821711 -0.546414 1.874604 Rho 0.1639846E+00 |GRAD(Rho)| 0.1939114E-15 GRAD(Rho)x 0.3004595E-16 GRAD(Rho)y 0.1900064E-15 GRAD(Rho)z -0.2442165E-16 Laplacian 0.6745198E+00 (-1/4)Del**2(Rho)) -0.1686300E+00 Diamond 0.1509039E+01 Metallicity 0.5019074E+01 Ellipticity 0.1476289E-01 Gb(Abramov) 0.2534810E+00 Vb(Abramov) -0.3383321E+00 Hb(Abramov) -0.8485105E-01 Ex_ueg -0.6629120E-01 Ec_ueg -0.9344660E-02 Delta_ex -0.7394228E-01 Delta_ec 0.1653962E-01 Delta_et -0.2222555E+00 Pxc 0.7094019E+01 Qxc -0.4470616E+01 3,-1 78 3 -1 -2.322632 -0.866803 -3.401415 Rho 0.1916781E+00 |GRAD(Rho)| 0.1222252E-10 GRAD(Rho)x -0.4526871E-11 GRAD(Rho)y 0.8180580E-11 GRAD(Rho)z 0.7872450E-11 Laplacian 0.7557698E+00 (-1/4)Del**2(Rho)) -0.1889425E+00 Diamond 0.2038431E+01 Metallicity 0.5810023E+01 Ellipticity 0.9448654E-02 Gb(Abramov) 0.3089217E+00 Vb(Abramov) -0.4289008E+00 Hb(Abramov) -0.1199792E+00 Ex_ueg -0.8162348E-01 Ec_ueg -0.1116305E-01 Delta_ex -0.8616195E-01 Delta_ec 0.1777368E-01 Delta_et -0.2427232E+00 Pxc 0.7311931E+01 Qxc -0.4847726E+01 3,-1 79 3 -1 -1.755022 0.538773 1.754740 Rho 0.4760354E-01 |GRAD(Rho)| 0.2160081E-15 GRAD(Rho)x -0.1973650E-15 GRAD(Rho)y -0.1427589E-16 GRAD(Rho)z 0.8661844E-16 Laplacian 0.1875639E+00 (-1/4)Del**2(Rho)) -0.4689098E-01 Diamond 0.8784649E-01 Metallicity 0.2297185E+01 Ellipticity 0.2419188E-01 Gb(Abramov) 0.4921353E-01 Vb(Abramov) -0.5153608E-01 Hb(Abramov) -0.2322549E-02 Ex_ueg -0.1274199E-01 Ec_ueg -0.2282841E-02 Delta_ex -0.1519912E-01 Delta_ec 0.5500864E-02 Delta_et -0.5724167E-01 Pxc 0.5581639E+01 Qxc -0.2763042E+01 3,-1 80 3 -1 -1.931829 0.531160 -2.959398 Rho 0.1088214E+00 |GRAD(Rho)| 0.2824674E-15 GRAD(Rho)x 0.2057409E-15 GRAD(Rho)y 0.1930151E-15 GRAD(Rho)z 0.1427081E-16 Laplacian 0.4623930E+00 (-1/4)Del**2(Rho)) -0.1155982E+00 Diamond 0.6615045E+00 Metallicity 0.3696514E+01 Ellipticity 0.1990306E-01 Gb(Abramov) 0.1482839E+00 Vb(Abramov) -0.1809696E+00 Hb(Abramov) -0.3268568E-01 Ex_ueg -0.3837109E-01 Ec_ueg -0.5862450E-02 Delta_ex -0.4634015E-01 Delta_ec 0.1332705E-01 Delta_et -0.1692242E+00 Pxc 0.6545230E+01 Qxc -0.3477151E+01 3,-1 81 3 +1 -0.654153 0.537015 -1.737059 Rho 0.7379457E-02 |GRAD(Rho)| 0.1029359E-15 GRAD(Rho)x 0.8752638E-16 GRAD(Rho)y 0.4434016E-16 GRAD(Rho)z 0.3112674E-16 Laplacian 0.2686454E-01 (-1/4)Del**2(Rho)) -0.6716135E-02 Diamond 0.6042017E-03 Metallicity 0.7174765E+00 Ellipticity -0.1503506E+01 Gb(Abramov) 0.5280535E-02 Vb(Abramov) -0.3844935E-02 Hb(Abramov) 0.1435600E-02 Ex_ueg -0.1061087E-02 Ec_ueg -0.2507051E-03 Delta_ex -0.1192285E-02 Delta_ec 0.3982567E-03 Delta_et -0.2599372E-02 Pxc 0.4232410E+01 Qxc -0.2993761E+01 3,+1 82 3 -1 -1.987191 0.864485 3.056285 Rho 0.1234038E+00 |GRAD(Rho)| 0.2762356E-13 GRAD(Rho)x 0.2009530E-13 GRAD(Rho)y 0.8287614E-14 GRAD(Rho)z -0.1704568E-13 Laplacian 0.4833864E+00 (-1/4)Del**2(Rho)) -0.1208466E+00 Diamond 0.7738022E+00 Metallicity 0.4360466E+01 Ellipticity 0.3167367E-01 Gb(Abramov) 0.1683890E+00 Vb(Abramov) -0.2159313E+00 Hb(Abramov) -0.4754238E-01 Ex_ueg -0.4537567E-01 Ec_ueg -0.6763406E-02 Delta_ex -0.4949728E-01 Delta_ec 0.1283372E-01 Delta_et -0.1657097E+00 Pxc 0.6708996E+01 Qxc -0.3856814E+01 3,-1 83 3 -1 -1.993661 3.014135 0.874702 Rho 0.8081125E-01 |GRAD(Rho)| 0.1333800E-15 GRAD(Rho)x 0.1083253E-15 GRAD(Rho)y 0.9429171E-17 GRAD(Rho)z -0.7724602E-16 Laplacian 0.3386903E+00 (-1/4)Del**2(Rho)) -0.8467257E-01 Diamond 0.3351851E+00 Metallicity 0.3073242E+01 Ellipticity 0.8138080E-02 Gb(Abramov) 0.9981827E-01 Vb(Abramov) -0.1149640E+00 Hb(Abramov) -0.1514570E-01 Ex_ueg -0.2580363E-01 Ec_ueg -0.4178166E-02 Delta_ex -0.3164910E-01 Delta_ec 0.1027333E-01 Delta_et -0.1223317E+00 Pxc 0.6175827E+01 Qxc -0.3080705E+01 3,-1 84 3 +1 -2.220568 1.461564 1.057783 Rho 0.2516967E-01 |GRAD(Rho)| 0.8722741E-16 GRAD(Rho)x 0.7947849E-16 GRAD(Rho)y -0.3449106E-16 GRAD(Rho)z -0.1010735E-16 Laplacian 0.9497108E-01 (-1/4)Del**2(Rho)) -0.2374277E-01 Diamond 0.1036105E-01 Metallicity 0.1568499E+01 Ellipticity -0.2177906E+01 Gb(Abramov) 0.2203527E-01 Vb(Abramov) -0.2032776E-01 Hb(Abramov) 0.1707503E-02 Ex_ueg -0.5447808E-02 Ec_ueg -0.1097261E-02 Delta_ex -0.5683132E-02 Delta_ec 0.1193377E-02 Delta_et -0.1064659E-01 Pxc 0.4964917E+01 Qxc -0.4762225E+01 3,+1 85 3 +1 -0.240510 0.259242 3.002281 Rho 0.6582263E-02 |GRAD(Rho)| 0.8296305E-17 GRAD(Rho)x 0.7826383E-17 GRAD(Rho)y 0.2749116E-17 GRAD(Rho)z -0.1369933E-18 Laplacian 0.2789060E-01 (-1/4)Del**2(Rho)) -0.6972651E-02 Diamond 0.7781316E-03 Metallicity 0.5711900E+00 Ellipticity -0.1881071E+01 Gb(Abramov) 0.5312219E-02 Vb(Abramov) -0.3651786E-02 Hb(Abramov) 0.1660432E-02 Ex_ueg -0.9110705E-03 Ec_ueg -0.2156268E-03 Delta_ex -0.1358664E-02 Delta_ec 0.6904559E-03 Delta_et -0.4144403E-02 Pxc 0.4225218E+01 Qxc -0.1967778E+01 3,+1 86 3 +1 -2.020419 2.048151 2.069054 Rho 0.1185717E-01 |GRAD(Rho)| 0.2525486E-16 GRAD(Rho)x -0.1743328E-16 GRAD(Rho)y -0.1798306E-16 GRAD(Rho)z 0.3240135E-17 Laplacian 0.5355612E-01 (-1/4)Del**2(Rho)) -0.1338903E-01 Diamond 0.1627994E-02 Metallicity 0.7933034E+00 Ellipticity -0.1102108E+01 Gb(Abramov) 0.1069628E-01 Vb(Abramov) -0.8003531E-02 Hb(Abramov) 0.2692749E-02 Ex_ueg -0.1996917E-02 Ec_ueg -0.4529796E-03 Delta_ex -0.2482382E-02 Delta_ec 0.4419154E-03 Delta_et -0.3499776E-02 Pxc 0.4408403E+01 Qxc -0.5617324E+01 3,+1 87 3 +3 -1.953754 1.977314 1.988986 Rho 0.1183357E-01 |GRAD(Rho)| 0.1215499E-16 GRAD(Rho)x 0.2811025E-17 GRAD(Rho)y -0.9172734E-17 GRAD(Rho)z 0.7463432E-17 Laplacian 0.5304232E-01 (-1/4)Del**2(Rho)) -0.1326058E-01 Diamond 0.1333212E-02 Metallicity 0.7983321E+00 Ellipticity -0.8604914E+00 Gb(Abramov) 0.1060478E-01 Vb(Abramov) -0.7948976E-02 Hb(Abramov) 0.2655802E-02 Ex_ueg -0.1991618E-02 Ec_ueg -0.4518914E-03 Delta_ex -0.2376320E-02 Delta_ec 0.2932672E-03 Delta_et -0.2497470E-02 Pxc 0.4407293E+01 Qxc -0.8102917E+01 3,+3 88 3 +1 0.495865 0.467214 1.663964 Rho 0.8183375E-02 |GRAD(Rho)| 0.9636778E-17 GRAD(Rho)x -0.1440548E-17 GRAD(Rho)y 0.8846893E-17 GRAD(Rho)z 0.3539039E-17 Laplacian 0.3260190E-01 (-1/4)Del**2(Rho)) -0.8150474E-02 Diamond 0.8162358E-03 Metallicity 0.7024106E+00 Ellipticity -0.1404508E+01 Gb(Abramov) 0.6387812E-02 Vb(Abramov) -0.4625151E-02 Hb(Abramov) 0.1762661E-02 Ex_ueg -0.1217947E-02 Ec_ueg -0.2863779E-03 Delta_ex -0.1471223E-02 Delta_ec 0.4594837E-03 Delta_et -0.3100047E-02 Pxc 0.4252936E+01 Qxc -0.3201904E+01 3,+1 89 3 -1 -1.884609 -2.788155 0.613747 Rho 0.8974187E-01 |GRAD(Rho)| 0.1246249E-15 GRAD(Rho)x -0.7902479E-16 GRAD(Rho)y -0.1377953E-16 GRAD(Rho)z -0.9537591E-16 Laplacian 0.3920381E+00 (-1/4)Del**2(Rho)) -0.9800953E-01 Diamond 0.4473183E+00 Metallicity 0.3161866E+01 Ellipticity 0.2033767E-01 Gb(Abramov) 0.1169885E+00 Vb(Abramov) -0.1359675E+00 Hb(Abramov) -0.1897899E-01 Ex_ueg -0.2967417E-01 Ec_ueg -0.4707961E-02 Delta_ex -0.3764591E-01 Delta_ec 0.1187862E-01 Delta_et -0.1450129E+00 Pxc 0.6302977E+01 Qxc -0.3169214E+01 3,-1 90 3 +3 -1.170703 -1.127420 1.146598 Rho 0.5129599E-02 |GRAD(Rho)| 0.9031769E-14 GRAD(Rho)x -0.2425312E-14 GRAD(Rho)y -0.8301324E-14 GRAD(Rho)z 0.2603599E-14 Laplacian 0.1973488E-01 (-1/4)Del**2(Rho)) -0.4933719E-02 Diamond 0.1414522E-03 Metallicity 0.5327430E+00 Ellipticity -0.1690353E+00 Gb(Abramov) 0.3727214E-02 Vb(Abramov) -0.2520708E-02 Hb(Abramov) 0.1206506E-02 Ex_ueg -0.6533756E-03 Ec_ueg -0.1524942E-03 Delta_ex -0.6855421E-03 Delta_ec 0.8488140E-04 Delta_et -0.6808323E-03 Pxc 0.4284593E+01 Qxc -0.8076470E+01 3,+3 91 3 +1 -0.579213 1.678347 -0.555007 Rho 0.8006385E-02 |GRAD(Rho)| 0.7973049E-17 GRAD(Rho)x 0.4136184E-17 GRAD(Rho)y -0.4138706E-17 GRAD(Rho)z 0.5415958E-17 Laplacian 0.2933632E-01 (-1/4)Del**2(Rho)) -0.7334079E-02 Diamond 0.6768799E-03 Metallicity 0.7526649E+00 Ellipticity -0.1428326E+01 Gb(Abramov) 0.5809403E-02 Vb(Abramov) -0.4284728E-02 Hb(Abramov) 0.1524676E-02 Ex_ueg -0.1182952E-02 Ec_ueg -0.2784989E-03 Delta_ex -0.1298722E-02 Delta_ec 0.3815546E-03 Delta_et -0.2586202E-02 Pxc 0.4247599E+01 Qxc -0.3403765E+01 3,+1 92 3 -1 -1.757799 1.721214 0.500433 Rho 0.4298887E-01 |GRAD(Rho)| 0.4084532E-16 GRAD(Rho)x 0.2789322E-16 GRAD(Rho)y -0.2420820E-16 GRAD(Rho)z -0.1744337E-16 Laplacian 0.1813789E+00 (-1/4)Del**2(Rho)) -0.4534473E-01 Diamond 0.8085216E-01 Metallicity 0.2004256E+01 Ellipticity 0.1337552E-01 Gb(Abramov) 0.4537689E-01 Vb(Abramov) -0.4540905E-01 Hb(Abramov) -0.3216381E-04 Ex_ueg -0.1112226E-01 Ec_ueg -0.2031157E-02 Delta_ex -0.1469066E-01 Delta_ec 0.5972979E-02 Delta_et -0.6061300E-01 Pxc 0.5475827E+01 Qxc -0.2459519E+01 3,-1 93 3 +3 0.936865 -1.187762 -1.345431 Rho 0.3797000E-02 |GRAD(Rho)| 0.7098442E-16 GRAD(Rho)x -0.1795867E-18 GRAD(Rho)y 0.2854851E-17 GRAD(Rho)z 0.7092676E-16 Laplacian 0.1388602E-01 (-1/4)Del**2(Rho)) -0.3471504E-02 Diamond 0.9506546E-04 Metallicity 0.4586025E+00 Ellipticity -0.4913717E+00 Gb(Abramov) 0.2579676E-02 Vb(Abramov) -0.1687848E-02 Hb(Abramov) 0.8918279E-03 Ex_ueg -0.4374944E-03 Ec_ueg -0.9551590E-04 Delta_ex -0.4829580E-03 Delta_ec 0.1293326E-03 Delta_et -0.7736593E-03 Pxc 0.4580330E+01 Qxc -0.3734232E+01 3,+3 94 3 -1 -1.819804 2.835636 -0.601996 Rho 0.1353136E+00 |GRAD(Rho)| 0.1030645E-13 GRAD(Rho)x 0.8444742E-14 GRAD(Rho)y -0.5829240E-14 GRAD(Rho)z -0.9639370E-15 Laplacian 0.5642879E+00 (-1/4)Del**2(Rho)) -0.1410720E+00 Diamond 0.1033178E+01 Metallicity 0.4355268E+01 Ellipticity 0.1589918E-01 Gb(Abramov) 0.1964490E+00 Vb(Abramov) -0.2518261E+00 Hb(Abramov) -0.5537705E-01 Ex_ueg -0.5130665E-01 Ec_ueg -0.7510109E-02 Delta_ex -0.5935421E-01 Delta_ec 0.1514787E-01 Delta_et -0.1995223E+00 Pxc 0.6831679E+01 Qxc -0.3918321E+01 3,-1 95 3 +1 -0.177267 3.005593 0.202310 Rho 0.5361583E-02 |GRAD(Rho)| 0.7595936E-16 GRAD(Rho)x -0.3276228E-17 GRAD(Rho)y 0.1481457E-16 GRAD(Rho)z -0.7442862E-16 Laplacian 0.2117932E-01 (-1/4)Del**2(Rho)) -0.5294829E-02 Diamond 0.5051735E-03 Metallicity 0.5343874E+00 Ellipticity -0.2738628E+01 Gb(Abramov) 0.4001468E-02 Vb(Abramov) -0.2708106E-02 Hb(Abramov) 0.1293361E-02 Ex_ueg -0.6930678E-03 Ec_ueg -0.1625062E-03 Delta_ex -0.1035777E-02 Delta_ec 0.6105128E-03 Delta_et -0.3408418E-02 Pxc 0.4264870E+01 Qxc -0.1696569E+01 3,+1 96 3 -1 -1.857703 -0.590653 -1.853283 Rho 0.3509119E-01 |GRAD(Rho)| 0.8060876E-16 GRAD(Rho)x -0.5083722E-16 GRAD(Rho)y 0.9776560E-17 GRAD(Rho)z -0.6178809E-16 Laplacian 0.1476068E+00 (-1/4)Del**2(Rho)) -0.3690171E-01 Diamond 0.5139094E-01 Metallicity 0.1755915E+01 Ellipticity 0.3614762E-01 Gb(Abramov) 0.3540051E-01 Vb(Abramov) -0.3389932E-01 Hb(Abramov) 0.1501194E-02 Ex_ueg -0.8484946E-02 Ec_ueg -0.1609084E-02 Delta_ex -0.1148267E-01 Delta_ec 0.5044527E-02 Delta_et -0.4840231E-01 Pxc 0.5273152E+01 Qxc -0.2276262E+01 3,-1 97 3 -1 -1.798768 -0.520739 2.821420 Rho 0.1373503E+00 |GRAD(Rho)| 0.2357975E-13 GRAD(Rho)x 0.5737191E-15 GRAD(Rho)y 0.2271736E-13 GRAD(Rho)z 0.6292648E-14 Laplacian 0.5712921E+00 (-1/4)Del**2(Rho)) -0.1428230E+00 Diamond 0.1036477E+01 Metallicity 0.4410328E+01 Ellipticity 0.1167567E-01 Gb(Abramov) 0.2001981E+00 Vb(Abramov) -0.2575732E+00 Hb(Abramov) -0.5737506E-01 Ex_ueg -0.5233889E-01 Ec_ueg -0.7638736E-02 Delta_ex -0.5998878E-01 Delta_ec 0.1471192E-01 Delta_et -0.1931309E+00 Pxc 0.6851774E+01 Qxc -0.4077564E+01 3,-1 98 3 +1 -0.540663 -0.531822 1.675388 Rho 0.8699414E-02 |GRAD(Rho)| 0.2176390E-16 GRAD(Rho)x -0.1032148E-16 GRAD(Rho)y 0.1905081E-16 GRAD(Rho)z -0.2049628E-17 Laplacian 0.3426468E-01 (-1/4)Del**2(Rho)) -0.8566169E-02 Diamond 0.9124641E-03 Metallicity 0.7400308E+00 Ellipticity -0.1415524E+01 Gb(Abramov) 0.6767318E-02 Vb(Abramov) -0.4968466E-02 Hb(Abramov) 0.1798852E-02 Ex_ueg -0.1321412E-02 Ec_ueg -0.3094304E-03 Delta_ex -0.1561485E-02 Delta_ec 0.4671227E-03 Delta_et -0.3214382E-02 Pxc 0.4270468E+01 Qxc -0.3342773E+01 3,+1 99 3 +1 -1.253202 1.212696 2.225653 Rho 0.2667218E-01 |GRAD(Rho)| 0.9356820E-16 GRAD(Rho)x 0.8240138E-16 GRAD(Rho)y 0.3690474E-16 GRAD(Rho)z -0.2455731E-16 Laplacian 0.1048363E+00 (-1/4)Del**2(Rho)) -0.2620907E-01 Diamond 0.1540737E-01 Metallicity 0.1565064E+01 Ellipticity -0.4764020E+01 Gb(Abramov) 0.2430920E-01 Vb(Abramov) -0.2240932E-01 Hb(Abramov) 0.1899876E-02 Ex_ueg -0.5885676E-02 Ec_ueg -0.1173269E-02 Delta_ex -0.6675805E-02 Delta_ec 0.1853230E-02 Delta_et -0.1660484E-01 Pxc 0.5016477E+01 Qxc -0.3602254E+01 3,+1 100 3 +1 0.040589 -3.063419 0.103079 Rho 0.4324510E-02 |GRAD(Rho)| 0.6462110E-15 GRAD(Rho)x 0.3017723E-15 GRAD(Rho)y -0.3417981E-15 GRAD(Rho)z -0.4579259E-15 Laplacian 0.1646254E-01 (-1/4)Del**2(Rho)) -0.4115634E-02 Diamond 0.2796978E-03 Metallicity 0.4804828E+00 Ellipticity -0.2022209E+01 Gb(Abramov) 0.3073338E-02 Vb(Abramov) -0.2031042E-02 Hb(Abramov) 0.1042296E-02 Ex_ueg -0.5203564E-03 Ec_ueg -0.1179605E-03 Delta_ex -0.7553680E-03 Delta_ec 0.4455860E-03 Delta_et -0.2346374E-02 Pxc 0.4411276E+01 Qxc -0.1695224E+01 3,+1 101 3 +1 0.513259 1.667571 0.517181 Rho 0.7674799E-02 |GRAD(Rho)| 0.1336519E-16 GRAD(Rho)x 0.1115456E-17 GRAD(Rho)y 0.1132091E-16 GRAD(Rho)z 0.7015765E-17 Laplacian 0.3027763E-01 (-1/4)Del**2(Rho)) -0.7569407E-02 Diamond 0.7021800E-03 Metallicity 0.6796254E+00 Ellipticity -0.1401922E+01 Gb(Abramov) 0.5903665E-02 Vb(Abramov) -0.4237923E-02 Hb(Abramov) 0.1665742E-02 Ex_ueg -0.1118084E-02 Ec_ueg -0.2637761E-03 Delta_ex -0.1348444E-02 Delta_ec 0.4337822E-03 Delta_et -0.2872575E-02 Pxc 0.4238761E+01 Qxc -0.3108575E+01 3,+1 102 3 +1 -1.466659 2.212206 1.039948 Rho 0.2439399E-01 |GRAD(Rho)| 0.4480920E-14 GRAD(Rho)x -0.2170631E-14 GRAD(Rho)y -0.2049961E-14 GRAD(Rho)z -0.3341356E-14 Laplacian 0.9095765E-01 (-1/4)Del**2(Rho)) -0.2273941E-01 Diamond 0.9388384E-02 Metallicity 0.1554457E+01 Ellipticity -0.2121404E+01 Gb(Abramov) 0.2105085E-01 Vb(Abramov) -0.1936228E-01 Hb(Abramov) 0.1688565E-02 Ex_ueg -0.5225111E-02 Ec_ueg -0.1058251E-02 Delta_ex -0.5383058E-02 Delta_ec 0.1120183E-02 Delta_et -0.9934192E-02 Pxc 0.4937496E+01 Qxc -0.4805516E+01 3,+1 103 3 -1 0.538860 1.791276 2.786777 Rho 0.1402855E+00 |GRAD(Rho)| 0.3716139E-12 GRAD(Rho)x -0.2320897E-12 GRAD(Rho)y 0.2878566E-12 GRAD(Rho)z -0.3701170E-13 Laplacian 0.5879737E+00 (-1/4)Del**2(Rho)) -0.1469934E+00 Diamond 0.1094687E+01 Metallicity 0.4438911E+01 Ellipticity 0.1316589E-01 Gb(Abramov) 0.2067441E+00 Vb(Abramov) -0.2664947E+00 Hb(Abramov) -0.5975066E-01 Ex_ueg -0.5383549E-01 Ec_ueg -0.7824575E-02 Delta_ex -0.6206475E-01 Delta_ec 0.1507339E-01 Delta_et -0.1985273E+00 Pxc 0.6880309E+01 Qxc -0.4117504E+01 3,-1 104 3 -1 -0.003604 3.009357 0.030859 Rho 0.5401424E-02 |GRAD(Rho)| 0.1700784E-17 GRAD(Rho)x 0.1053545E-18 GRAD(Rho)y 0.9599361E-18 GRAD(Rho)z -0.1400032E-17 Laplacian 0.2084482E-01 (-1/4)Del**2(Rho)) -0.5211204E-02 Diamond 0.6091175E-03 Metallicity 0.5497040E+00 Ellipticity 0.2789491E+01 Gb(Abramov) 0.3951573E-02 Vb(Abramov) -0.2691941E-02 Hb(Abramov) 0.1259631E-02 Ex_ueg -0.6999432E-03 Ec_ueg -0.1642284E-03 Delta_ex -0.1110525E-02 Delta_ec 0.7608221E-03 Delta_et -0.4186938E-02 Pxc 0.4262010E+01 Qxc -0.1459638E+01 3,-1 105 3 -1 1.715371 -0.573961 1.717595 Rho 0.4160165E-01 |GRAD(Rho)| 0.2162819E-13 GRAD(Rho)x -0.2716107E-14 GRAD(Rho)y -0.2069468E-13 GRAD(Rho)z -0.5668472E-14 Laplacian 0.1625205E+00 (-1/4)Del**2(Rho)) -0.4063014E-01 Diamond 0.6301270E-01 Metallicity 0.2117820E+01 Ellipticity 0.2781176E-01 Gb(Abramov) 0.4142798E-01 Vb(Abramov) -0.4222582E-01 Hb(Abramov) -0.7978420E-03 Ex_ueg -0.1064631E-01 Ec_ueg -0.1956194E-02 Delta_ex -0.1271284E-01 Delta_ec 0.4735744E-02 Delta_et -0.4754861E-01 Pxc 0.5442359E+01 Qxc -0.2684444E+01 3,-1 106 3 -1 -0.267237 -1.350911 -3.579630 Rho 0.3313987E-02 |GRAD(Rho)| 0.1237634E-15 GRAD(Rho)x 0.8546491E-16 GRAD(Rho)y 0.6314217E-16 GRAD(Rho)z 0.6345225E-16 Laplacian 0.1065787E-01 (-1/4)Del**2(Rho)) -0.2664468E-02 Diamond 0.2064815E-03 Metallicity 0.4762781E+00 Ellipticity 0.1258162E+00 Gb(Abramov) 0.1987816E-02 Vb(Abramov) -0.1311165E-02 Hb(Abramov) 0.6766513E-03 Ex_ueg -0.3649102E-03 Ec_ueg -0.7509432E-04 Delta_ex -0.5925725E-03 Delta_ec 0.5174953E-03 Delta_et -0.2407141E-02 Pxc 0.4859359E+01 Qxc -0.1145078E+01 3,-1 107 3 +1 -0.167251 -2.300445 -1.108000 Rho 0.6739034E-02 |GRAD(Rho)| 0.1180417E-16 GRAD(Rho)x -0.6202849E-17 GRAD(Rho)y 0.1004284E-16 GRAD(Rho)z -0.6564352E-19 Laplacian 0.2565798E-01 (-1/4)Del**2(Rho)) -0.6414495E-02 Diamond 0.7531709E-03 Metallicity 0.6457337E+00 Ellipticity -0.2390702E+01 Gb(Abramov) 0.4966672E-02 Vb(Abramov) -0.3518850E-02 Hb(Abramov) 0.1447822E-02 Ex_ueg -0.9401170E-03 Ec_ueg -0.2225014E-03 Delta_ex -0.1265167E-02 Delta_ec 0.6510191E-03 Delta_et -0.3926661E-02 Pxc 0.4225218E+01 Qxc -0.1943364E+01 3,+1 108 3 +3 -0.093783 -2.443668 -0.095348 Rho 0.3648633E-02 |GRAD(Rho)| 0.3248327E-17 GRAD(Rho)x -0.3169527E-17 GRAD(Rho)y -0.7067199E-18 GRAD(Rho)z 0.7921361E-19 Laplacian 0.1411873E-01 (-1/4)Del**2(Rho)) -0.3529683E-02 Diamond 0.8465540E-04 Metallicity 0.4220537E+00 Ellipticity -0.1897441E+00 Gb(Abramov) 0.2601408E-02 Vb(Abramov) -0.1673133E-02 Hb(Abramov) 0.9282751E-03 Ex_ueg -0.4148508E-03 Ec_ueg -0.8922969E-04 Delta_ex -0.4763862E-03 Delta_ec 0.1140208E-03 Delta_et -0.6998685E-03 Pxc 0.4649246E+01 Qxc -0.4178065E+01 3,+3 109 3 -1 -0.841902 3.027998 2.066215 Rho 0.1712521E+00 |GRAD(Rho)| 0.2920530E-15 GRAD(Rho)x -0.7394259E-16 GRAD(Rho)y 0.1092334E-16 GRAD(Rho)z 0.2823262E-15 Laplacian 0.6666277E+00 (-1/4)Del**2(Rho)) -0.1666569E+00 Diamond 0.1572155E+01 Metallicity 0.5459122E+01 Ellipticity 0.4404547E-01 Gb(Abramov) 0.2627380E+00 Vb(Abramov) -0.3588191E+00 Hb(Abramov) -0.9608111E-01 Ex_ueg -0.7023703E-01 Ec_ueg -0.9817559E-02 Delta_ex -0.7388227E-01 Delta_ec 0.1617948E-01 Delta_et -0.2185541E+00 Pxc 0.7154225E+01 Qxc -0.4566417E+01 3,-1 110 3 -1 -0.551183 1.732437 1.753296 Rho 0.4587860E-01 |GRAD(Rho)| 0.2298767E-13 GRAD(Rho)x -0.2069087E-13 GRAD(Rho)y -0.8887536E-14 GRAD(Rho)z -0.4618721E-14 Laplacian 0.1821410E+00 (-1/4)Del**2(Rho)) -0.4553524E-01 Diamond 0.8130573E-01 Metallicity 0.2224449E+01 Ellipticity 0.2879786E-01 Gb(Abramov) 0.4723863E-01 Vb(Abramov) -0.4894202E-01 Hb(Abramov) -0.1703390E-02 Ex_ueg -0.1213012E-01 Ec_ueg -0.2188357E-02 Delta_ex -0.1463182E-01 Delta_ec 0.5358369E-02 Delta_et -0.5522420E-01 Pxc 0.5543028E+01 Qxc -0.2730647E+01 3,-1 111 3 +1 2.015751 -2.040569 2.044404 Rho 0.1160796E-01 |GRAD(Rho)| 0.1253674E-16 GRAD(Rho)x 0.1060077E-16 GRAD(Rho)y 0.6672244E-17 GRAD(Rho)z 0.5240552E-18 Laplacian 0.5237318E-01 (-1/4)Del**2(Rho)) -0.1309330E-01 Diamond 0.1589925E-02 Metallicity 0.7830045E+00 Ellipticity -0.1120053E+01 Gb(Abramov) 0.1043755E-01 Vb(Abramov) -0.7781802E-02 Hb(Abramov) 0.2655747E-02 Ex_ueg -0.1941153E-02 Ec_ueg -0.4415016E-03 Delta_ex -0.2426514E-02 Delta_ec 0.4558564E-03 Delta_et -0.3565546E-02 Pxc 0.4396707E+01 Qxc -0.5322979E+01 3,+1 112 3 +3 1.077207 1.081547 1.073345 Rho 0.4560298E-02 |GRAD(Rho)| 0.1838786E-17 GRAD(Rho)x -0.4074568E-18 GRAD(Rho)y -0.1455851E-17 GRAD(Rho)z 0.1046714E-17 Laplacian 0.1818972E-01 (-1/4)Del**2(Rho)) -0.4547431E-02 Diamond 0.1206259E-03 Metallicity 0.4750899E+00 Ellipticity -0.9007767E-01 Gb(Abramov) 0.3391693E-02 Vb(Abramov) -0.2235956E-02 Hb(Abramov) 0.1155737E-02 Ex_ueg -0.5585251E-03 Ec_ueg -0.1280400E-03 Delta_ex -0.6217011E-03 Delta_ec 0.9631533E-04 Delta_et -0.7031857E-03 Pxc 0.4362115E+01 Qxc -0.6454851E+01 3,+3 113 3 +1 0.502773 -0.882548 -1.823984 Rho 0.4432764E-02 |GRAD(Rho)| 0.4454242E-14 GRAD(Rho)x 0.8034896E-15 GRAD(Rho)y 0.3564932E-14 GRAD(Rho)z 0.2546749E-14 Laplacian 0.1676054E-01 (-1/4)Del**2(Rho)) -0.4190134E-02 Diamond 0.2736113E-03 Metallicity 0.4917936E+00 Ellipticity -0.1791075E+01 Gb(Abramov) 0.3136870E-02 Vb(Abramov) -0.2083605E-02 Hb(Abramov) 0.1053265E-02 Ex_ueg -0.5377963E-03 Ec_ueg -0.1225846E-03 Delta_ex -0.7501887E-03 Delta_ec 0.4132129E-03 Delta_et -0.2211145E-02 Pxc 0.4387145E+01 Qxc -0.1815502E+01 3,+1 114 3 -1 -0.525641 0.438610 0.452872 Rho 0.1713910E+00 |GRAD(Rho)| 0.1093306E-12 GRAD(Rho)x 0.5298539E-13 GRAD(Rho)y -0.7341350E-13 GRAD(Rho)z -0.6128778E-13 Laplacian 0.4320192E+00 (-1/4)Del**2(Rho)) -0.1080048E+00 Diamond 0.1049190E+01 Metallicity 0.8435100E+01 Ellipticity 0.5119301E-02 Gb(Abramov) 0.2238417E+00 Vb(Abramov) -0.3396787E+00 Hb(Abramov) -0.1158369E+00 Ex_ueg -0.7031303E-01 Ec_ueg -0.9826631E-02 Delta_ex -0.4813501E-01 Delta_ec 0.1091995E-01 Delta_et -0.1487524E+00 Pxc 0.7155354E+01 Qxc -0.4407989E+01 3,-1 115 3 +1 2.179719 -1.515925 0.994772 Rho 0.2270059E-01 |GRAD(Rho)| 0.2606854E-16 GRAD(Rho)x -0.1875975E-16 GRAD(Rho)y 0.1430327E-16 GRAD(Rho)z -0.1109311E-16 Laplacian 0.8369871E-01 (-1/4)Del**2(Rho)) -0.2092468E-01 Diamond 0.7663234E-02 Metallicity 0.1498383E+01 Ellipticity -0.2002937E+01 Gb(Abramov) 0.1917532E-01 Vb(Abramov) -0.1742595E-01 Hb(Abramov) 0.1749362E-02 Ex_ueg -0.4747167E-02 Ec_ueg -0.9736539E-03 Delta_ex -0.4836118E-02 Delta_ec 0.9963250E-03 Delta_et -0.8713859E-02 Pxc 0.4875620E+01 Qxc -0.4853956E+01 3,+1 116 3 -1 -0.603895 -2.787463 1.888933 Rho 0.1754488E+00 |GRAD(Rho)| 0.1265283E-13 GRAD(Rho)x -0.1271200E-14 GRAD(Rho)y 0.5776941E-14 GRAD(Rho)z -0.1118504E-13 Laplacian 0.7197813E+00 (-1/4)Del**2(Rho)) -0.1799453E+00 Diamond 0.1745250E+01 Metallicity 0.5264168E+01 Ellipticity 0.2059672E-01 Gb(Abramov) 0.2778406E+00 Vb(Abramov) -0.3757359E+00 Hb(Abramov) -0.9789531E-01 Ex_ueg -0.7254132E-01 Ec_ueg -0.1009205E-01 Delta_ex -0.8024056E-01 Delta_ec 0.1732558E-01 Delta_et -0.2345581E+00 Pxc 0.7187970E+01 Qxc -0.4631334E+01 3,-1 117 3 +3 0.014255 -0.016450 2.237245 Rho 0.5000675E-02 |GRAD(Rho)| 0.1670438E-15 GRAD(Rho)x -0.4181972E-16 GRAD(Rho)y 0.1112890E-15 GRAD(Rho)z -0.1173435E-15 Laplacian 0.2075802E-01 (-1/4)Del**2(Rho)) -0.5189506E-02 Diamond 0.1738137E-03 Metallicity 0.4854467E+00 Ellipticity -0.3223548E+00 Gb(Abramov) 0.3879542E-02 Vb(Abramov) -0.2569578E-02 Hb(Abramov) 0.1309964E-02 Ex_ueg -0.6315725E-03 Ec_ueg -0.1469418E-03 Delta_ex -0.7439647E-03 Delta_ec 0.1392232E-03 Delta_et -0.9641114E-03 Pxc 0.4298112E+01 Qxc -0.5343685E+01 3,+3 118 3 -1 -0.556033 -1.773067 2.817124 Rho 0.1315539E+00 |GRAD(Rho)| 0.4451331E-15 GRAD(Rho)x 0.2733680E-15 GRAD(Rho)y -0.3512680E-15 GRAD(Rho)z 0.4926344E-17 Laplacian 0.5418189E+00 (-1/4)Del**2(Rho)) -0.1354547E+00 Diamond 0.9365579E+00 Metallicity 0.4327780E+01 Ellipticity 0.1187519E-01 Gb(Abramov) 0.1880062E+00 Vb(Abramov) -0.2405577E+00 Hb(Abramov) -0.5255147E-01 Ex_ueg -0.4941476E-01 Ec_ueg -0.7273373E-02 Delta_ex -0.5633975E-01 Delta_ec 0.1416646E-01 Delta_et -0.1848552E+00 Pxc 0.6793926E+01 Qxc -0.3976982E+01 3,-1 119 3 -1 -0.846914 1.997632 3.057846 Rho 0.1427732E+00 |GRAD(Rho)| 0.3088813E-15 GRAD(Rho)x -0.3778445E-16 GRAD(Rho)y -0.2882487E-15 GRAD(Rho)z 0.1043680E-15 Laplacian 0.5556508E+00 (-1/4)Del**2(Rho)) -0.1389127E+00 Diamond 0.1062449E+01 Metallicity 0.4836771E+01 Ellipticity 0.4372913E-01 Gb(Abramov) 0.2045900E+00 Vb(Abramov) -0.2702672E+00 Hb(Abramov) -0.6567726E-01 Ex_ueg -0.5511213E-01 Ec_ueg -0.7982510E-02 Delta_ex -0.5896757E-01 Delta_ec 0.1429494E-01 Delta_et -0.1890037E+00 Pxc 0.6904111E+01 Qxc -0.4125065E+01 3,-1 120 3 -1 -0.586864 2.811648 -1.846261 Rho 0.1218990E+00 |GRAD(Rho)| 0.1358747E-15 GRAD(Rho)x -0.1299281E-15 GRAD(Rho)y 0.7562310E-17 GRAD(Rho)z 0.3903128E-16 Laplacian 0.5117067E+00 (-1/4)Del**2(Rho)) -0.1279267E+00 Diamond 0.8282202E+00 Metallicity 0.4035763E+01 Ellipticity 0.1837939E-01 Gb(Abramov) 0.1713314E+00 Vb(Abramov) -0.2147361E+00 Hb(Abramov) -0.4340474E-01 Ex_ueg -0.4463943E-01 Ec_ueg -0.6669741E-02 Delta_ex -0.5252043E-01 Delta_ec 0.1411914E-01 Delta_et -0.1827611E+00 Pxc 0.6692827E+01 Qxc -0.3719803E+01 3,-1 121 3 +3 0.002585 2.306951 -0.000425 Rho 0.4309738E-02 |GRAD(Rho)| 0.2679900E-17 GRAD(Rho)x -0.6765933E-18 GRAD(Rho)y -0.1542481E-17 GRAD(Rho)z 0.2084428E-17 Laplacian 0.1731918E-01 (-1/4)Del**2(Rho)) -0.4329795E-02 Diamond 0.1287806E-03 Metallicity 0.4541200E+00 Ellipticity -0.2826865E+00 Gb(Abramov) 0.3214238E-02 Vb(Abramov) -0.2098681E-02 Hb(Abramov) 0.1115557E-02 Ex_ueg -0.5179879E-03 Ec_ueg -0.1173300E-03 Delta_ex -0.6083529E-03 Delta_ec 0.1370769E-03 Delta_et -0.8792402E-03 Pxc 0.4414793E+01 Qxc -0.4438040E+01 3,+3 122 3 +1 0.176253 3.014144 -0.148309 Rho 0.5356563E-02 |GRAD(Rho)| 0.9717387E-17 GRAD(Rho)x 0.2437400E-17 GRAD(Rho)y -0.3125530E-18 GRAD(Rho)z -0.9401543E-17 Laplacian 0.2125007E-01 (-1/4)Del**2(Rho)) -0.5312518E-02 Diamond 0.5070472E-03 Metallicity 0.5317772E+00 Ellipticity -0.2666425E+01 Gb(Abramov) 0.4012525E-02 Vb(Abramov) -0.2712532E-02 Hb(Abramov) 0.1299993E-02 Ex_ueg -0.6922028E-03 Ec_ueg -0.1622893E-03 Delta_ex -0.1039740E-02 Delta_ec 0.6137995E-03 Delta_et -0.3425267E-02 Pxc 0.4265240E+01 Qxc -0.1693942E+01 3,+1 123 3 +1 1.744900 1.757616 1.778514 Rho 0.1250388E-01 |GRAD(Rho)| 0.5542391E-14 GRAD(Rho)x 0.2920013E-14 GRAD(Rho)y 0.1784746E-14 GRAD(Rho)z -0.4359622E-14 Laplacian 0.6247380E-01 (-1/4)Del**2(Rho)) -0.1561845E-01 Diamond 0.2594555E-02 Metallicity 0.7430018E+00 Ellipticity -0.1246203E+01 Gb(Abramov) 0.1234639E-01 Vb(Abramov) -0.9074329E-02 Hb(Abramov) 0.3272061E-02 Ex_ueg -0.2143440E-02 Ec_ueg -0.4828795E-03 Delta_ex -0.3089618E-02 Delta_ec 0.7844877E-03 Delta_et -0.5961557E-02 Pxc 0.4438872E+01 Qxc -0.3938389E+01 3,+1 124 3 -1 1.713895 1.724203 -0.545223 Rho 0.4083648E-01 |GRAD(Rho)| 0.1556396E-13 GRAD(Rho)x 0.1262762E-13 GRAD(Rho)y -0.8860282E-16 GRAD(Rho)z 0.9097933E-14 Laplacian 0.1586469E+00 (-1/4)Del**2(Rho)) -0.3966172E-01 Diamond 0.5999008E-01 Metallicity 0.2103434E+01 Ellipticity 0.2478945E-01 Gb(Abramov) 0.4034545E-01 Vb(Abramov) -0.4102917E-01 Hb(Abramov) -0.6837284E-03 Ex_ueg -0.1038603E-01 Ec_ueg -0.1914991E-02 Delta_ex -0.1235322E-01 Delta_ec 0.4624756E-02 Delta_et -0.4620486E-01 Pxc 0.5423540E+01 Qxc -0.2671107E+01 3,-1 125 3 -1 -0.583011 -0.515232 -0.513806 Rho 0.1904377E+00 |GRAD(Rho)| 0.1939790E-15 GRAD(Rho)x -0.3816392E-16 GRAD(Rho)y 0.1491862E-15 GRAD(Rho)z 0.1179612E-15 Laplacian 0.5106807E+00 (-1/4)Del**2(Rho)) -0.1276702E+00 Diamond 0.1376142E+01 Metallicity 0.8505865E+01 Ellipticity 0.2069532E-01 Gb(Abramov) 0.2661043E+00 Vb(Abramov) -0.4045384E+00 Hb(Abramov) -0.1384341E+00 Ex_ueg -0.8091993E-01 Ec_ueg -0.1108067E-01 Delta_ex -0.5819296E-01 Delta_ec 0.1215330E-01 Delta_et -0.1662732E+00 Pxc 0.7302805E+01 Qxc -0.4788244E+01 3,-1 126 3 -1 -0.008231 0.025573 2.992381 Rho 0.6764646E-02 |GRAD(Rho)| 0.6179355E-17 GRAD(Rho)x 0.5814529E-17 GRAD(Rho)y -0.1169996E-17 GRAD(Rho)z 0.1734009E-17 Laplacian 0.2701066E-01 (-1/4)Del**2(Rho)) -0.6752664E-02 Diamond 0.1108794E-02 Metallicity 0.6172860E+00 Ellipticity 0.1120827E+01 Gb(Abramov) 0.5196497E-02 Vb(Abramov) -0.3640330E-02 Hb(Abramov) 0.1556167E-02 Ex_ueg -0.9448839E-03 Ec_ueg -0.2236256E-03 Delta_ex -0.1526473E-02 Delta_ec 0.1030848E-02 Delta_et -0.6059043E-02 Pxc 0.4225294E+01 Qxc -0.1480794E+01 3,-1 127 3 -1 0.063720 -2.089030 -1.072454 Rho 0.6888480E-02 |GRAD(Rho)| 0.3762421E-15 GRAD(Rho)x -0.1484963E-15 GRAD(Rho)y -0.3450824E-15 GRAD(Rho)z 0.2061747E-16 Laplacian 0.2543432E-01 (-1/4)Del**2(Rho)) -0.6358581E-02 Diamond 0.1006026E-02 Metallicity 0.6756659E+00 Ellipticity 0.1159189E+01 Gb(Abramov) 0.4955100E-02 Vb(Abramov) -0.3551619E-02 Hb(Abramov) 0.1403481E-02 Ex_ueg -0.9680169E-03 Ec_ueg -0.2290656E-03 Delta_ex -0.1403641E-02 Delta_ec 0.9016357E-03 Delta_et -0.5350792E-02 Pxc 0.4225937E+01 Qxc -0.1556771E+01 3,-1 128 3 -1 0.496846 -1.759723 1.728033 Rho 0.4826003E-01 |GRAD(Rho)| 0.4522578E-13 GRAD(Rho)x -0.1493386E-13 GRAD(Rho)y -0.2977898E-13 GRAD(Rho)z 0.3058698E-13 Laplacian 0.1906865E+00 (-1/4)Del**2(Rho)) -0.4767162E-01 Diamond 0.9124036E-01 Metallicity 0.2311741E+01 Ellipticity 0.2198815E-01 Gb(Abramov) 0.5014849E-01 Vb(Abramov) -0.5262535E-01 Hb(Abramov) -0.2476866E-02 Ex_ueg -0.1297683E-01 Ec_ueg -0.2318923E-02 Delta_ex -0.1551695E-01 Delta_ec 0.5612238E-02 Delta_et -0.5861555E-01 Pxc 0.5596058E+01 Qxc -0.2764843E+01 3,-1 129 3 +1 0.335834 -1.516022 -1.783188 Rho 0.4617544E-02 |GRAD(Rho)| 0.5187337E-17 GRAD(Rho)x 0.1694585E-17 GRAD(Rho)y -0.8409142E-18 GRAD(Rho)z -0.4830084E-17 Laplacian 0.1769518E-01 (-1/4)Del**2(Rho)) -0.4423796E-02 Diamond 0.3510685E-03 Metallicity 0.4986278E+00 Ellipticity -0.2637794E+01 Gb(Abramov) 0.3316835E-02 Vb(Abramov) -0.2209875E-02 Hb(Abramov) 0.1106961E-02 Ex_ueg -0.5678930E-03 Ec_ueg -0.1304915E-03 Delta_ex -0.8460912E-03 Delta_ec 0.5208335E-03 Delta_et -0.2776539E-02 Pxc 0.4351954E+01 Qxc -0.1624495E+01 3,+1 130 3 -1 0.295798 -1.279543 -1.925918 Rho 0.4672458E-02 |GRAD(Rho)| 0.1945904E-16 GRAD(Rho)x 0.1725471E-16 GRAD(Rho)y -0.7041674E-17 GRAD(Rho)z -0.5598587E-17 Laplacian 0.1803790E-01 (-1/4)Del**2(Rho)) -0.4509476E-02 Diamond 0.4507252E-03 Metallicity 0.4988876E+00 Ellipticity 0.1091321E+01 Gb(Abramov) 0.3381271E-02 Vb(Abramov) -0.2253066E-02 Hb(Abramov) 0.1128205E-02 Ex_ueg -0.5769155E-03 Ec_ueg -0.1328447E-03 Delta_ex -0.9530218E-03 Delta_ec 0.6890181E-03 Delta_et -0.3617261E-02 Pxc 0.4342783E+01 Qxc -0.1383159E+01 3,-1 131 3 +1 0.236926 -0.222352 3.010493 Rho 0.6550253E-02 |GRAD(Rho)| 0.8936733E-16 GRAD(Rho)x 0.6570553E-16 GRAD(Rho)y -0.5877279E-16 GRAD(Rho)z 0.1466501E-16 Laplacian 0.2761866E-01 (-1/4)Del**2(Rho)) -0.6904664E-02 Diamond 0.7560448E-03 Metallicity 0.5721467E+00 Ellipticity -0.1843133E+01 Gb(Abramov) 0.5261523E-02 Vb(Abramov) -0.3618382E-02 Hb(Abramov) 0.1643141E-02 Ex_ueg -0.9051680E-03 Ec_ueg -0.2142247E-03 Delta_ex -0.1337878E-02 Delta_ec 0.6727981E-03 Delta_et -0.4038106E-02 Pxc 0.4225321E+01 Qxc -0.1988528E+01 3,+1 132 3 +1 1.649463 0.498178 0.528697 Rho 0.7594391E-02 |GRAD(Rho)| 0.9414084E-17 GRAD(Rho)x -0.4707551E-18 GRAD(Rho)y -0.5292402E-17 GRAD(Rho)z 0.7771348E-17 Laplacian 0.2990170E-01 (-1/4)Del**2(Rho)) -0.7475426E-02 Diamond 0.6859464E-03 Metallicity 0.6761953E+00 Ellipticity -0.1402942E+01 Gb(Abramov) 0.5826092E-02 Vb(Abramov) -0.4176758E-02 Hb(Abramov) 0.1649334E-02 Ex_ueg -0.1102492E-02 Ec_ueg -0.2602135E-03 Delta_ex -0.1329456E-02 Delta_ec 0.4306266E-03 Delta_et -0.2842030E-02 Pxc 0.4236876E+01 Qxc -0.3087258E+01 3,+1 133 3 -1 0.096473 3.189151 3.257338 Rho 0.2255498E+00 |GRAD(Rho)| 0.9062802E-14 GRAD(Rho)x 0.3959371E-14 GRAD(Rho)y -0.8081860E-14 GRAD(Rho)z -0.1068319E-14 Laplacian 0.8340043E+00 (-1/4)Del**2(Rho)) -0.2085011E+00 Diamond 0.2738215E+01 Metallicity 0.6905298E+01 Ellipticity 0.5403000E-02 Gb(Abramov) 0.3789610E+00 Vb(Abramov) -0.5494210E+00 Hb(Abramov) -0.1704600E+00 Ex_ueg -0.1014009E+00 Ec_ueg -0.1344594E-01 Delta_ex -0.9915480E-01 Delta_ec 0.1877109E-01 Delta_et -0.2593714E+00 Pxc 0.7541377E+01 Qxc -0.5282314E+01 3,-1 134 3 -1 -0.063768 3.196001 -3.285175 Rho 0.1986488E+00 |GRAD(Rho)| 0.6022692E-14 GRAD(Rho)x -0.2967665E-14 GRAD(Rho)y -0.5227969E-14 GRAD(Rho)z 0.3662435E-15 Laplacian 0.7522433E+00 (-1/4)Del**2(Rho)) -0.1880608E+00 Diamond 0.2127684E+01 Metallicity 0.6195335E+01 Ellipticity 0.3218428E-02 Gb(Abramov) 0.3195572E+00 Vb(Abramov) -0.4510535E+00 Hb(Abramov) -0.1314963E+00 Ex_ueg -0.8560510E-01 Ec_ueg -0.1162764E-01 Delta_ex -0.8661115E-01 Delta_ec 0.1763912E-01 Delta_et -0.2420234E+00 Pxc 0.7362205E+01 Qxc -0.4910173E+01 3,-1 135 3 -1 0.481917 1.674913 -1.773303 Rho 0.4291722E-01 |GRAD(Rho)| 0.7425936E-16 GRAD(Rho)x -0.3270479E-16 GRAD(Rho)y 0.5986956E-16 GRAD(Rho)z -0.2933402E-16 Laplacian 0.1801721E+00 (-1/4)Del**2(Rho)) -0.4504304E-01 Diamond 0.7996058E-01 Metallicity 0.2012078E+01 Ellipticity 0.2619656E-01 Gb(Abramov) 0.4513371E-01 Vb(Abramov) -0.4522438E-01 Hb(Abramov) -0.9067195E-04 Ex_ueg -0.1109755E-01 Ec_ueg -0.2027276E-02 Delta_ex -0.1457790E-01 Delta_ec 0.5917079E-02 Delta_et -0.6001595E-01 Pxc 0.5474118E+01 Qxc -0.2463699E+01 3,-1 136 3 -1 0.402557 -0.525005 0.432259 Rho 0.1734321E+00 |GRAD(Rho)| 0.1029105E-11 GRAD(Rho)x -0.6011858E-12 GRAD(Rho)y 0.5893064E-12 GRAD(Rho)z -0.5919050E-12 Laplacian 0.4384602E+00 (-1/4)Del**2(Rho)) -0.1096151E+00 Diamond 0.1081507E+01 Metallicity 0.8476804E+01 Ellipticity 0.2211165E-02 Gb(Abramov) 0.2279409E+00 Vb(Abramov) -0.3462668E+00 Hb(Abramov) -0.1183259E+00 Ex_ueg -0.7143172E-01 Ec_ueg -0.9960019E-02 Delta_ex -0.4900852E-01 Delta_ec 0.1107016E-01 Delta_et -0.1510745E+00 Pxc 0.7171845E+01 Qxc -0.4427082E+01 3,-1 137 3 -1 0.029814 -3.390572 -1.259213 Rho 0.3678012E-01 |GRAD(Rho)| 0.1222091E-16 GRAD(Rho)x -0.5945763E-17 GRAD(Rho)y -0.8176614E-17 GRAD(Rho)z -0.6865974E-17 Laplacian 0.1055100E+00 (-1/4)Del**2(Rho)) -0.2637749E-01 Diamond 0.5347288E-01 Metallicity 0.2656695E+01 Ellipticity 0.2250526E-02 Gb(Abramov) 0.2926448E-01 Vb(Abramov) -0.3215148E-01 Hb(Abramov) -0.2886994E-02 Ex_ueg -0.9033776E-02 Ec_ueg -0.1698352E-02 Delta_ex -0.9229597E-02 Delta_ec 0.5264291E-02 Delta_et -0.5127037E-01 Pxc 0.5319142E+01 Qxc -0.1753246E+01 3,-1 138 3 -1 0.827443 -3.024461 2.066083 Rho 0.1615286E+00 |GRAD(Rho)| 0.3970602E-15 GRAD(Rho)x 0.3097837E-15 GRAD(Rho)y -0.1056013E-15 GRAD(Rho)z -0.2248093E-15 Laplacian 0.6252608E+00 (-1/4)Del**2(Rho)) -0.1563152E+00 Diamond 0.1379941E+01 Metallicity 0.5280003E+01 Ellipticity 0.4448765E-01 Gb(Abramov) 0.2417676E+00 Vb(Abramov) -0.3272200E+00 Hb(Abramov) -0.8545239E-01 Ex_ueg -0.6497069E-01 Ec_ueg -0.9185547E-02 Delta_ex -0.6834151E-01 Delta_ec 0.1549147E-01 Delta_et -0.2080504E+00 Pxc 0.7073144E+01 Qxc -0.4411558E+01 3,-1 139 3 +1 1.231110 -1.204151 2.186873 Rho 0.2609211E-01 |GRAD(Rho)| 0.3280357E-15 GRAD(Rho)x 0.1347911E-15 GRAD(Rho)y -0.5618181E-16 GRAD(Rho)z 0.2937386E-15 Laplacian 0.1024915E+00 (-1/4)Del**2(Rho)) -0.2562288E-01 Diamond 0.1478125E-01 Metallicity 0.1543265E+01 Ellipticity -0.4975843E+01 Gb(Abramov) 0.2367240E-01 Vb(Abramov) -0.2172192E-01 Hb(Abramov) 0.1950477E-02 Ex_ueg -0.5715627E-02 Ec_ueg -0.1143856E-02 Delta_ex -0.6505556E-02 Delta_ec 0.1842442E-02 Delta_et -0.1641321E-01 Pxc 0.4996808E+01 Qxc -0.3530942E+01 3,+1 140 3 -1 0.872073 1.963875 -3.054404 Rho 0.1185351E+00 |GRAD(Rho)| 0.8052028E-14 GRAD(Rho)x 0.3548797E-14 GRAD(Rho)y -0.6559870E-14 GRAD(Rho)z 0.3034682E-14 Laplacian 0.4800163E+00 (-1/4)Del**2(Rho)) -0.1200041E+00 Diamond 0.7494058E+00 Metallicity 0.4106157E+01 Ellipticity 0.1351881E-01 Gb(Abramov) 0.1621287E+00 Vb(Abramov) -0.2042532E+00 Hb(Abramov) -0.4212458E-01 Ex_ueg -0.4300456E-01 Ec_ueg -0.6460923E-02 Delta_ex -0.4891783E-01 Delta_ec 0.1328616E-01 Delta_et -0.1710442E+00 Pxc 0.6656101E+01 Qxc -0.3681864E+01 3,-1 141 3 -1 0.828778 -1.973135 3.035489 Rho 0.1239440E+00 |GRAD(Rho)| 0.2165557E-15 GRAD(Rho)x -0.1559354E-15 GRAD(Rho)y -0.1081627E-15 GRAD(Rho)z -0.1043138E-15 Laplacian 0.4902037E+00 (-1/4)Del**2(Rho)) -0.1225509E+00 Diamond 0.7884235E+00 Metallicity 0.4331245E+01 Ellipticity 0.3286204E-01 Gb(Abramov) 0.1701669E+00 Vb(Abramov) -0.2177830E+00 Hb(Abramov) -0.4761603E-01 Ex_ueg -0.4564073E-01 Ec_ueg -0.6797073E-02 Delta_ex -0.5024247E-01 Delta_ec 0.1299161E-01 Delta_et -0.1678558E+00 Pxc 0.6714763E+01 Qxc -0.3867300E+01 3,-1 142 3 -1 0.556529 2.783015 1.839106 Rho 0.1413093E+00 |GRAD(Rho)| 0.3923051E-09 GRAD(Rho)x 0.2585921E-09 GRAD(Rho)y 0.8575094E-10 GRAD(Rho)z -0.2822768E-09 Laplacian 0.5859230E+00 (-1/4)Del**2(Rho)) -0.1464808E+00 Diamond 0.1106670E+01 Metallicity 0.4508761E+01 Ellipticity 0.1445621E-01 Gb(Abramov) 0.2077283E+00 Vb(Abramov) -0.2689758E+00 Hb(Abramov) -0.6124752E-01 Ex_ueg -0.5435999E-01 Ec_ueg -0.7889526E-02 Delta_ex -0.6202534E-01 Delta_ec 0.1511410E-01 Delta_et -0.1995333E+00 Pxc 0.6890147E+01 Qxc -0.4103808E+01 3,-1 143 3 -1 1.793190 0.530349 2.772103 Rho 0.1291674E+00 |GRAD(Rho)| 0.3730508E-13 GRAD(Rho)x 0.7879954E-14 GRAD(Rho)y -0.2816988E-13 GRAD(Rho)z -0.2315240E-13 Laplacian 0.5400620E+00 (-1/4)Del**2(Rho)) -0.1350155E+00 Diamond 0.9132623E+00 Metallicity 0.4211380E+01 Ellipticity 0.1060980E-01 Gb(Abramov) 0.1847773E+00 Vb(Abramov) -0.2345390E+00 Hb(Abramov) -0.4976177E-01 Ex_ueg -0.4822316E-01 Ec_ueg -0.7123587E-02 Delta_ex -0.5591019E-01 Delta_ec 0.1418364E-01 Delta_et -0.1845351E+00 Pxc 0.6769506E+01 Qxc -0.3941880E+01 3,-1 144 3 -1 0.851214 2.983879 -2.005803 Rho 0.8292579E-01 |GRAD(Rho)| 0.8082375E-16 GRAD(Rho)x -0.6816921E-16 GRAD(Rho)y 0.2089122E-16 GRAD(Rho)z -0.3806566E-16 Laplacian 0.3468719E+00 (-1/4)Del**2(Rho)) -0.8671796E-01 Diamond 0.3565801E+00 Metallicity 0.3132758E+01 Ellipticity 0.4583781E-02 Gb(Abramov) 0.1030897E+00 Vb(Abramov) -0.1194614E+00 Hb(Abramov) -0.1637174E-01 Ex_ueg -0.2670779E-01 Ec_ueg -0.4302947E-02 Delta_ex -0.3265434E-01 Delta_ec 0.1055974E-01 Delta_et -0.1265571E+00 Pxc 0.6206859E+01 Qxc -0.3092344E+01 3,-1 145 3 -1 1.805347 2.791744 0.578659 Rho 0.1309701E+00 |GRAD(Rho)| 0.6391143E-16 GRAD(Rho)x 0.4454716E-16 GRAD(Rho)y -0.3814698E-16 GRAD(Rho)z -0.2539744E-16 Laplacian 0.5508474E+00 (-1/4)Del**2(Rho)) -0.1377118E+00 Diamond 0.9475253E+00 Metallicity 0.4225408E+01 Ellipticity 0.1191309E-01 Gb(Abramov) 0.1887894E+00 Vb(Abramov) -0.2398669E+00 Hb(Abramov) -0.5107751E-01 Ex_ueg -0.4912258E-01 Ec_ueg -0.7236695E-02 Delta_ex -0.5722227E-01 Delta_ec 0.1442718E-01 Delta_et -0.1881406E+00 Pxc 0.6787985E+01 Qxc -0.3966283E+01 3,-1 146 3 +1 1.695415 -0.575029 -0.560088 Rho 0.7481525E-02 |GRAD(Rho)| 0.8930452E-16 GRAD(Rho)x -0.6903423E-16 GRAD(Rho)y 0.3385774E-16 GRAD(Rho)z 0.4542276E-16 Laplacian 0.2802449E-01 (-1/4)Del**2(Rho)) -0.7006122E-02 Diamond 0.6044898E-03 Metallicity 0.7037078E+00 Ellipticity -0.1406049E+01 Gb(Abramov) 0.5492458E-02 Vb(Abramov) -0.3978795E-02 Hb(Abramov) 0.1513664E-02 Ex_ueg -0.1080700E-02 Ec_ueg -0.2552178E-03 Delta_ex -0.1227556E-02 Delta_ec 0.3789534E-03 Delta_et -0.2511574E-02 Pxc 0.4234423E+01 Qxc -0.3239331E+01 3,+1 147 3 +3 2.304843 -0.024700 0.003527 Rho 0.4153090E-02 |GRAD(Rho)| 0.9464162E-17 GRAD(Rho)x -0.1380211E-18 GRAD(Rho)y 0.5743715E-17 GRAD(Rho)z 0.7520707E-17 Laplacian 0.1670534E-01 (-1/4)Del**2(Rho)) -0.4176335E-02 Diamond 0.1186306E-03 Metallicity 0.4426326E+00 Ellipticity -0.2738319E+00 Gb(Abramov) 0.3092321E-02 Vb(Abramov) -0.2008306E-02 Hb(Abramov) 0.1084015E-02 Ex_ueg -0.4930378E-03 Ec_ueg -0.1106509E-03 Delta_ex -0.5817913E-03 Delta_ec 0.1332907E-03 Delta_et -0.8459384E-03 Pxc 0.4455797E+01 Qxc -0.4364829E+01 3,+3 148 3 -1 1.776425 0.492356 -1.765299 Rho 0.3489917E-01 |GRAD(Rho)| 0.1211017E-15 GRAD(Rho)x -0.9400350E-16 GRAD(Rho)y 0.2547737E-16 GRAD(Rho)z 0.7197133E-16 Laplacian 0.1447259E+00 (-1/4)Del**2(Rho)) -0.3618148E-01 Diamond 0.4807410E-01 Metallicity 0.1774566E+01 Ellipticity 0.6145861E-01 Gb(Abramov) 0.3482205E-01 Vb(Abramov) -0.3346263E-01 Hb(Abramov) 0.1359424E-02 Ex_ueg -0.8423099E-02 Ec_ueg -0.1598972E-02 Delta_ex -0.1110884E-01 Delta_ec 0.4705087E-02 Delta_et -0.4506946E-01 Pxc 0.5267822E+01 Qxc -0.2361027E+01 3,-1 149 3 +1 1.475136 0.981524 -2.179965 Rho 0.2499195E-01 |GRAD(Rho)| 0.2001930E-15 GRAD(Rho)x 0.9584897E-16 GRAD(Rho)y -0.1506197E-15 GRAD(Rho)z 0.9057558E-16 Laplacian 0.9291352E-01 (-1/4)Del**2(Rho)) -0.2322838E-01 Diamond 0.1130287E-01 Metallicity 0.1584410E+01 Ellipticity -0.3125809E+01 Gb(Abramov) 0.2161947E-01 Vb(Abramov) -0.2001056E-01 Hb(Abramov) 0.1608912E-02 Ex_ueg -0.5396579E-02 Ec_ueg -0.1088309E-02 Delta_ex -0.5686540E-02 Delta_ec 0.1412984E-02 Delta_et -0.1250969E-01 Pxc 0.4958684E+01 Qxc -0.4024490E+01 3,+1 150 3 +1 1.942926 -1.877219 -1.796460 Rho 0.1321845E-01 |GRAD(Rho)| 0.2566660E-17 GRAD(Rho)x 0.1809803E-17 GRAD(Rho)y -0.1818734E-17 GRAD(Rho)z 0.6753916E-19 Laplacian 0.5474917E-01 (-1/4)Del**2(Rho)) -0.1368729E-01 Diamond 0.2333146E-02 Metallicity 0.9301152E+00 Ellipticity -0.1418331E+01 Gb(Abramov) 0.1124665E-01 Vb(Abramov) -0.8806017E-02 Hb(Abramov) 0.2440638E-02 Ex_ueg -0.2308302E-02 Ec_ueg -0.5161053E-03 Delta_ex -0.2717259E-02 Delta_ec 0.6326208E-03 Delta_et -0.4913281E-02 Pxc 0.4472541E+01 Qxc -0.4295242E+01 3,+1 151 3 -1 1.793576 -2.947436 -0.664598 Rho 0.1783324E+00 |GRAD(Rho)| 0.1949661E-14 GRAD(Rho)x 0.1209265E-14 GRAD(Rho)y 0.5871768E-15 GRAD(Rho)z 0.1412119E-14 Laplacian 0.6979955E+00 (-1/4)Del**2(Rho)) -0.1744989E+00 Diamond 0.1735209E+01 Metallicity 0.5577991E+01 Ellipticity 0.5692600E-02 Gb(Abramov) 0.2785581E+00 Vb(Abramov) -0.3826173E+00 Hb(Abramov) -0.1040592E+00 Ex_ueg -0.7413538E-01 Ec_ueg -0.1028125E-01 Delta_ex -0.7820559E-01 Delta_ec 0.1686083E-01 Delta_et -0.2290490E+00 Pxc 0.7210739E+01 Qxc -0.4638301E+01 3,-1 152 3 -1 1.228738 -2.392711 -2.086391 Rho 0.3911910E-01 |GRAD(Rho)| 0.2309765E-14 GRAD(Rho)x 0.1639166E-15 GRAD(Rho)y -0.1514598E-14 GRAD(Rho)z 0.1736128E-14 Laplacian 0.1095227E+00 (-1/4)Del**2(Rho)) -0.2738068E-01 Diamond 0.5775516E-01 Metallicity 0.2836332E+01 Ellipticity 0.1578659E-01 Gb(Abramov) 0.3119723E-01 Vb(Abramov) -0.3501379E-01 Hb(Abramov) -0.3816555E-02 Ex_ueg -0.9807768E-02 Ec_ueg -0.1822895E-02 Delta_ex -0.9554857E-02 Delta_ec 0.5188757E-02 Delta_et -0.5145023E-01 Pxc 0.5380325E+01 Qxc -0.1841454E+01 3,-1 153 3 -1 1.671635 -1.804487 0.453909 Rho 0.4082409E-01 |GRAD(Rho)| 0.2646906E-13 GRAD(Rho)x 0.1612223E-13 GRAD(Rho)y -0.1782340E-13 GRAD(Rho)z -0.1109103E-13 Laplacian 0.1710972E+00 (-1/4)Del**2(Rho)) -0.4277431E-01 Diamond 0.7141731E-01 Metallicity 0.1949386E+01 Ellipticity 0.7525692E-02 Gb(Abramov) 0.4241348E-01 Vb(Abramov) -0.4205264E-01 Hb(Abramov) 0.3608329E-03 Ex_ueg -0.1038183E-01 Ec_ueg -0.1914324E-02 Delta_ex -0.1370268E-01 Delta_ec 0.5667958E-02 Delta_et -0.5671224E-01 Pxc 0.5423233E+01 Qxc -0.2417568E+01 3,-1 154 3 +1 1.424128 -2.239846 0.994598 Rho 0.2533481E-01 |GRAD(Rho)| 0.3448436E-16 GRAD(Rho)x 0.2318581E-17 GRAD(Rho)y -0.9767719E-17 GRAD(Rho)z 0.3299071E-16 Laplacian 0.9629053E-01 (-1/4)Del**2(Rho)) -0.2407263E-01 Diamond 0.1051553E-01 Metallicity 0.1563960E+01 Ellipticity -0.2122250E+01 Gb(Abramov) 0.2232320E-01 Vb(Abramov) -0.2057376E-01 Hb(Abramov) 0.1749437E-02 Ex_ueg -0.5495518E-02 Ec_ueg -0.1105586E-02 Delta_ex -0.5763503E-02 Delta_ec 0.1193743E-02 Delta_et -0.1066964E-01 Pxc 0.4970683E+01 Qxc -0.4828094E+01 3,+1 155 3 +3 1.935154 -1.961172 1.949045 Rho 0.1157053E-01 |GRAD(Rho)| 0.4439643E-16 GRAD(Rho)x -0.3248041E-16 GRAD(Rho)y 0.3003193E-16 GRAD(Rho)z 0.3761503E-17 Laplacian 0.5180622E-01 (-1/4)Del**2(Rho)) -0.1295155E-01 Diamond 0.1260014E-02 Metallicity 0.7873243E+00 Ellipticity -0.8266495E+00 Gb(Abramov) 0.1033388E-01 Vb(Abramov) -0.7716209E-02 Hb(Abramov) 0.2617672E-02 Ex_ueg -0.1932812E-02 Ec_ueg -0.4397798E-03 Delta_ex -0.2305362E-02 Delta_ec 0.2853427E-03 Delta_et -0.2423705E-02 Pxc 0.4394954E+01 Qxc -0.8079273E+01 3,+3 156 3 +1 2.055411 2.006250 -2.006024 Rho 0.1114424E-01 |GRAD(Rho)| 0.2503183E-15 GRAD(Rho)x -0.1505153E-15 GRAD(Rho)y -0.1390669E-15 GRAD(Rho)z 0.1437526E-15 Laplacian 0.4757039E-01 (-1/4)Del**2(Rho)) -0.1189260E-01 Diamond 0.1285085E-02 Metallicity 0.8054294E+00 Ellipticity -0.1108077E+01 Gb(Abramov) 0.9524840E-02 Vb(Abramov) -0.7157082E-02 Hb(Abramov) 0.2367758E-02 Ex_ueg -0.1838453E-02 Ec_ueg -0.4202099E-03 Delta_ex -0.2153779E-02 Delta_ec 0.3684763E-03 Delta_et -0.2911802E-02 Pxc 0.4375083E+01 Qxc -0.5845094E+01 3,+1 157 3 +1 1.023485 2.179639 -1.440869 Rho 0.2365581E-01 |GRAD(Rho)| 0.5507133E-16 GRAD(Rho)x 0.2950203E-17 GRAD(Rho)y 0.5490440E-16 GRAD(Rho)z 0.3107056E-17 Laplacian 0.8844919E-01 (-1/4)Del**2(Rho)) -0.2211230E-01 Diamond 0.9243043E-02 Metallicity 0.1518736E+01 Ellipticity -0.2320629E+01 Gb(Abramov) 0.2033866E-01 Vb(Abramov) -0.1856501E-01 Hb(Abramov) 0.1773642E-02 Ex_ueg -0.5015360E-02 Ec_ueg -0.1021277E-02 Delta_ex -0.5247824E-02 Delta_ec 0.1192442E-02 Delta_et -0.1046719E-01 Pxc 0.4910871E+01 Qxc -0.4400906E+01 3,+1 158 3 +3 1.977000 1.927464 -1.935490 Rho 0.1111920E-01 |GRAD(Rho)| 0.1565247E-13 GRAD(Rho)x 0.1399340E-13 GRAD(Rho)y -0.4226511E-14 GRAD(Rho)z 0.5596531E-14 Laplacian 0.4713814E-01 (-1/4)Del**2(Rho)) -0.1178453E-01 Diamond 0.1034530E-02 Metallicity 0.8097733E+00 Ellipticity -0.8495832E+00 Gb(Abramov) 0.9446823E-02 Vb(Abramov) -0.7109112E-02 Hb(Abramov) 0.2337711E-02 Ex_ueg -0.1832947E-02 Ec_ueg -0.4190625E-03 Delta_ex -0.2057717E-02 Delta_ec 0.2309529E-03 Delta_et -0.2003739E-02 Pxc 0.4373923E+01 Qxc -0.8909681E+01 3,+3 159 3 -1 2.031460 -0.671753 -2.918854 Rho 0.1317101E+00 |GRAD(Rho)| 0.3746852E-15 GRAD(Rho)x 0.2581621E-15 GRAD(Rho)y 0.2512367E-15 GRAD(Rho)z 0.1030602E-15 Laplacian 0.5120139E+00 (-1/4)Del**2(Rho)) -0.1280035E+00 Diamond 0.9255607E+00 Metallicity 0.4588774E+01 Ellipticity 0.1106537E+00 Gb(Abramov) 0.1832322E+00 Vb(Abramov) -0.2384609E+00 Hb(Abramov) -0.5522869E-01 Ex_ueg -0.4949302E-01 Ec_ueg -0.7283193E-02 Delta_ex -0.5372093E-01 Delta_ec 0.1421377E-01 Delta_et -0.1870896E+00 Pxc 0.6795512E+01 Qxc -0.3779499E+01 3,-1 160 3 -1 1.983139 -0.847176 3.027955 Rho 0.1423199E+00 |GRAD(Rho)| 0.4856312E-16 GRAD(Rho)x -0.6640738E-17 GRAD(Rho)y -0.4560425E-16 GRAD(Rho)z -0.1531436E-16 Laplacian 0.5526623E+00 (-1/4)Del**2(Rho)) -0.1381656E+00 Diamond 0.1054481E+01 Metallicity 0.4837225E+01 Ellipticity 0.3569737E-01 Gb(Abramov) 0.2035000E+00 Vb(Abramov) -0.2688345E+00 Hb(Abramov) -0.6533447E-01 Ex_ueg -0.5487899E-01 Ec_ueg -0.7953707E-02 Delta_ex -0.5862389E-01 Delta_ec 0.1426298E-01 Delta_et -0.1885645E+00 Pxc 0.6899800E+01 Qxc -0.4110214E+01 3,-1 161 3 -1 2.101255 0.838601 -3.042168 Rho 0.1281892E+00 |GRAD(Rho)| 0.8392537E-16 GRAD(Rho)x -0.5570089E-17 GRAD(Rho)y 0.7036472E-16 GRAD(Rho)z -0.4540097E-16 Laplacian 0.5195519E+00 (-1/4)Del**2(Rho)) -0.1298880E+00 Diamond 0.8891522E+00 Metallicity 0.4322516E+01 Ellipticity 0.1206966E-01 Gb(Abramov) 0.1801658E+00 Vb(Abramov) -0.2304436E+00 Hb(Abramov) -0.5027781E-01 Ex_ueg -0.4773683E-01 Ec_ueg -0.7062298E-02 Delta_ex -0.5391648E-01 Delta_ec 0.1407681E-01 Delta_et -0.1836617E+00 Pxc 0.6759391E+01 Qxc -0.3830162E+01 3,-1 162 3 +1 2.212539 1.010634 -1.420854 Rho 0.2212221E-01 |GRAD(Rho)| 0.3621749E-16 GRAD(Rho)x 0.3265040E-16 GRAD(Rho)y 0.9677576E-17 GRAD(Rho)z -0.1232895E-16 Laplacian 0.8174031E-01 (-1/4)Del**2(Rho)) -0.2043508E-01 Diamond 0.7773402E-02 Metallicity 0.1469685E+01 Ellipticity -0.2268601E+01 Gb(Abramov) 0.1862891E-01 Vb(Abramov) -0.1682274E-01 Hb(Abramov) 0.1806170E-02 Ex_ueg -0.4586588E-02 Ec_ueg -0.9449427E-03 Delta_ex -0.4759792E-02 Delta_ec 0.1099100E-02 Delta_et -0.9503489E-02 Pxc 0.4853826E+01 Qxc -0.4330625E+01 3,+1 163 3 -1 1.947549 -3.063946 0.858978 Rho 0.9476175E-01 |GRAD(Rho)| 0.7964773E-14 GRAD(Rho)x -0.3872519E-14 GRAD(Rho)y 0.6897962E-14 GRAD(Rho)z 0.9269996E-15 Laplacian 0.3928459E+00 (-1/4)Del**2(Rho)) -0.9821147E-01 Diamond 0.4747722E+00 Metallicity 0.3454984E+01 Ellipticity 0.1105389E-01 Gb(Abramov) 0.1220275E+00 Vb(Abramov) -0.1458435E+00 Hb(Abramov) -0.2381602E-01 Ex_ueg -0.3190772E-01 Ec_ueg -0.5008845E-02 Delta_ex -0.3811954E-01 Delta_ec 0.1163871E-01 Delta_et -0.1436326E+00 Pxc 0.6370276E+01 Qxc -0.3275237E+01 3,-1 164 3 +1 3.011491 -0.165187 0.183193 Rho 0.5219810E-02 |GRAD(Rho)| 0.2878249E-17 GRAD(Rho)x 0.9517406E-18 GRAD(Rho)y -0.1122609E-17 GRAD(Rho)z -0.2473511E-17 Laplacian 0.2064202E-01 (-1/4)Del**2(Rho)) -0.5160504E-02 Diamond 0.4990163E-03 Metallicity 0.5243471E+00 Ellipticity -0.3384324E+01 Gb(Abramov) 0.3891318E-02 Vb(Abramov) -0.2622133E-02 Hb(Abramov) 0.1269185E-02 Ex_ueg -0.6687410E-03 Ec_ueg -0.1563843E-03 Delta_ex -0.1025218E-02 Delta_ec 0.6327468E-03 Delta_et -0.3487955E-02 Pxc 0.4276266E+01 Qxc -0.1620266E+01 3,+1 165 3 -1 2.768312 1.822074 0.576985 Rho 0.1242824E+00 |GRAD(Rho)| 0.1224931E-15 GRAD(Rho)x -0.8324640E-17 GRAD(Rho)y -0.1287490E-17 GRAD(Rho)z 0.1222031E-15 Laplacian 0.5203449E+00 (-1/4)Del**2(Rho)) -0.1300862E+00 Diamond 0.8411028E+00 Metallicity 0.4098940E+01 Ellipticity 0.7287848E-02 Gb(Abramov) 0.1755934E+00 Vb(Abramov) -0.2211006E+00 Hb(Abramov) -0.4550719E-01 Ex_ueg -0.4580696E-01 Ec_ueg -0.6818170E-02 Delta_ex -0.5338521E-01 Delta_ec 0.1381479E-01 Delta_et -0.1786315E+00 Pxc 0.6718365E+01 Qxc -0.3864352E+01 3,-1 166 3 -1 2.914873 -0.591733 -1.822470 Rho 0.1249635E+00 |GRAD(Rho)| 0.2915024E-15 GRAD(Rho)x -0.6554680E-16 GRAD(Rho)y 0.1677261E-15 GRAD(Rho)z -0.2292274E-15 Laplacian 0.5253626E+00 (-1/4)Del**2(Rho)) -0.1313406E+00 Diamond 0.8750707E+00 Metallicity 0.4096937E+01 Ellipticity 0.2880203E-01 Gb(Abramov) 0.1772428E+00 Vb(Abramov) -0.2231450E+00 Hb(Abramov) -0.4590219E-01 Ex_ueg -0.4614195E-01 Ec_ueg -0.6860654E-02 Delta_ex -0.5422812E-01 Delta_ec 0.1438970E-01 Delta_et -0.1870431E+00 Pxc 0.6725591E+01 Qxc -0.3768539E+01 3,-1 167 3 -1 3.017906 -0.866933 2.043613 Rho 0.1800823E+00 |GRAD(Rho)| 0.1300358E-08 GRAD(Rho)x 0.5935254E-09 GRAD(Rho)y -0.9502866E-09 GRAD(Rho)z -0.6600096E-09 Laplacian 0.7005531E+00 (-1/4)Del**2(Rho)) -0.1751383E+00 Diamond 0.1753324E+01 Metallicity 0.5648813E+01 Ellipticity 0.4649430E-01 Gb(Abramov) 0.2816461E+00 Vb(Abramov) -0.3881539E+00 Hb(Abramov) -0.1065078E+00 Ex_ueg -0.7510689E-01 Ec_ueg -0.1039629E-01 Delta_ex -0.7861676E-01 Delta_ec 0.1675664E-01 Delta_et -0.2274984E+00 Pxc 0.7224395E+01 Qxc -0.4691678E+01 3,-1 168 3 -1 3.016067 -0.015734 0.037177 Rho 0.5241253E-02 |GRAD(Rho)| 0.4322674E-17 GRAD(Rho)x 0.1172195E-17 GRAD(Rho)y 0.3947088E-17 GRAD(Rho)z 0.1316044E-17 Laplacian 0.2033630E-01 (-1/4)Del**2(Rho)) -0.5084075E-02 Diamond 0.5694987E-03 Metallicity 0.5358786E+00 Ellipticity 0.4038579E+01 Gb(Abramov) 0.3843458E-02 Vb(Abramov) -0.2602840E-02 Hb(Abramov) 0.1240617E-02 Ex_ueg -0.6724064E-03 Ec_ueg -0.1573096E-03 Delta_ex -0.1076383E-02 Delta_ec 0.7403849E-03 Delta_et -0.4037977E-02 Pxc 0.4274414E+01 Qxc -0.1453815E+01 3,-1 169 3 -1 2.775895 0.551426 1.823884 Rho 0.1465693E+00 |GRAD(Rho)| 0.1423839E-15 GRAD(Rho)x 0.7485738E-16 GRAD(Rho)y 0.1446055E-16 GRAD(Rho)z -0.1202516E-15 Laplacian 0.6087894E+00 (-1/4)Del**2(Rho)) -0.1521973E+00 Diamond 0.1197921E+01 Metallicity 0.4611950E+01 Ellipticity 0.1793401E-01 Gb(Abramov) 0.2184526E+00 Vb(Abramov) -0.2847080E+00 Hb(Abramov) -0.6625531E-01 Ex_ueg -0.5707455E-01 Ec_ueg -0.8224264E-02 Delta_ex -0.6498771E-01 Delta_ec 0.1549883E-01 Delta_et -0.2055667E+00 Pxc 0.6939776E+01 Qxc -0.4193071E+01 3,-1 170 3 -1 3.108675 0.869955 -1.959065 Rho 0.9684414E-01 |GRAD(Rho)| 0.1290983E-15 GRAD(Rho)x 0.1933268E-16 GRAD(Rho)y 0.9841168E-16 GRAD(Rho)z 0.8128806E-16 Laplacian 0.4072499E+00 (-1/4)Del**2(Rho)) -0.1018125E+00 Diamond 0.5055303E+00 Metallicity 0.3455740E+01 Ellipticity 0.4414524E-02 Gb(Abramov) 0.1265146E+00 Vb(Abramov) -0.1512167E+00 Hb(Abramov) -0.2470209E-01 Ex_ueg -0.3284603E-01 Ec_ueg -0.5134281E-02 Delta_ex -0.3971877E-01 Delta_ec 0.1201800E-01 Delta_et -0.1490040E+00 Pxc 0.6397396E+01 Qxc -0.3304939E+01 3,-1 171 3 +1 3.025661 0.136522 -0.112631 Rho 0.5218224E-02 |GRAD(Rho)| 0.1853251E-14 GRAD(Rho)x 0.2159427E-15 GRAD(Rho)y 0.1344178E-14 GRAD(Rho)z -0.1257416E-14 Laplacian 0.2062817E-01 (-1/4)Del**2(Rho)) -0.5157042E-02 Diamond 0.4967276E-03 Metallicity 0.5244333E+00 Ellipticity -0.3290456E+01 Gb(Abramov) 0.3888782E-02 Vb(Abramov) -0.2620522E-02 Hb(Abramov) 0.1268260E-02 Ex_ueg -0.6684701E-03 Ec_ueg -0.1563159E-03 Delta_ex -0.1022934E-02 Delta_ec 0.6295815E-03 Delta_et -0.3471323E-02 Pxc 0.4276405E+01 Qxc -0.1624784E+01 3,+1 172 3 -1 3.419922 -0.001418 -3.223375 Rho 0.2008178E+00 |GRAD(Rho)| 0.2011838E-14 GRAD(Rho)x -0.1612751E-14 GRAD(Rho)y 0.1181787E-14 GRAD(Rho)z -0.2233999E-15 Laplacian 0.7522305E+00 (-1/4)Del**2(Rho)) -0.1880576E+00 Diamond 0.2158053E+01 Metallicity 0.6308593E+01 Ellipticity 0.5023000E-02 Gb(Abramov) 0.3231016E+00 Vb(Abramov) -0.4581456E+00 Hb(Abramov) -0.1350440E+00 Ex_ueg -0.8685363E-01 Ec_ueg -0.1177276E-01 Delta_ex -0.8686669E-01 Delta_ec 0.1761608E-01 Delta_et -0.2420237E+00 Pxc 0.7377507E+01 Qxc -0.4931103E+01 3,-1 173 3 -1 3.196729 0.071119 3.227569 Rho 0.2257030E+00 |GRAD(Rho)| 0.2411089E-14 GRAD(Rho)x 0.2070880E-14 GRAD(Rho)y -0.1234364E-14 GRAD(Rho)z 0.3393553E-16 Laplacian 0.8289559E+00 (-1/4)Del**2(Rho)) -0.2072390E+00 Diamond 0.2728404E+01 Metallicity 0.6955217E+01 Ellipticity 0.4848889E-02 Gb(Abramov) 0.3783913E+00 Vb(Abramov) -0.5495437E+00 Hb(Abramov) -0.1711524E+00 Ex_ueg -0.1014927E+00 Ec_ueg -0.1345641E-01 Delta_ex -0.9859817E-01 Delta_ec 0.1870065E-01 Delta_et -0.2585980E+00 Pxc 0.7542335E+01 Qxc -0.5272447E+01 3,-1 174 3 -1 -2.858551 -1.804203 0.593272 Rho 0.1011078E+00 |GRAD(Rho)| 0.2611366E-13 GRAD(Rho)x -0.1296776E-13 GRAD(Rho)y -0.2251912E-13 GRAD(Rho)z -0.2578666E-14 Laplacian 0.4376880E+00 (-1/4)Del**2(Rho)) -0.1094220E+00 Diamond 0.5748144E+00 Metallicity 0.3454802E+01 Ellipticity 0.3163519E-02 Gb(Abramov) 0.1359532E+00 Vb(Abramov) -0.1624845E+00 Hb(Abramov) -0.2653123E-01 Ex_ueg -0.3478816E-01 Ec_ueg -0.5392210E-02 Delta_ex -0.4315403E-01 Delta_ec 0.1287246E-01 Delta_et -0.1611193E+00 Pxc 0.6451560E+01 Qxc -0.3352430E+01 3,-1 175 3 -1 -0.091040 -3.175602 3.277186 Rho 0.2247455E+00 |GRAD(Rho)| 0.1979636E-15 GRAD(Rho)x 0.1360674E-15 GRAD(Rho)y -0.2976135E-16 GRAD(Rho)z -0.1406752E-15 Laplacian 0.8337527E+00 (-1/4)Del**2(Rho)) -0.2084382E+00 Diamond 0.2722245E+01 Metallicity 0.6866375E+01 Ellipticity 0.2549660E-02 Gb(Abramov) 0.3774946E+00 Vb(Abramov) -0.5465509E+00 Hb(Abramov) -0.1690564E+00 Ex_ueg -0.1009190E+00 Ec_ueg -0.1339099E-01 Delta_ex -0.9901334E-01 Delta_ec 0.1874942E-01 Delta_et -0.2588816E+00 Pxc 0.7536337E+01 Qxc -0.5280874E+01 3,-1 176 3 -1 0.412120 0.421503 -0.505788 Rho 0.1781949E+00 |GRAD(Rho)| 0.1789710E-15 GRAD(Rho)x 0.4857226E-16 GRAD(Rho)y 0.1422473E-15 GRAD(Rho)z -0.9714451E-16 Laplacian 0.4590656E+00 (-1/4)Del**2(Rho)) -0.1147664E+00 Diamond 0.1165642E+01 Metallicity 0.8470269E+01 Ellipticity 0.5124881E-02 Gb(Abramov) 0.2385280E+00 Vb(Abramov) -0.3622895E+00 Hb(Abramov) -0.1237616E+00 Ex_ueg -0.7405915E-01 Ec_ueg -0.1027221E-01 Delta_ex -0.5162678E-01 Delta_ec 0.1145147E-01 Delta_et -0.1566167E+00 Pxc 0.7209661E+01 Qxc -0.4508312E+01 3,-1 177 3 -1 2.973367 -2.041718 0.844351 Rho 0.7068315E-01 |GRAD(Rho)| 0.5553066E-16 GRAD(Rho)x -0.2063203E-16 GRAD(Rho)y 0.6528930E-17 GRAD(Rho)z 0.5114046E-16 Laplacian 0.2956645E+00 (-1/4)Del**2(Rho)) -0.7391613E-01 Diamond 0.2484862E+00 Metallicity 0.2816267E+01 Ellipticity 0.1055804E-01 Gb(Abramov) 0.8397201E-01 Vb(Abramov) -0.9402790E-01 Hb(Abramov) -0.1005588E-01 Ex_ueg -0.2158438E-01 Ec_ueg -0.3586601E-02 Delta_ex -0.2681391E-01 Delta_ec 0.9199524E-02 Delta_et -0.1061661E+00 Pxc 0.6018061E+01 Qxc -0.2914706E+01 3,-1 178 3 -1 2.018643 3.033370 -0.834870 Rho 0.1740019E+00 |GRAD(Rho)| 0.5311110E-15 GRAD(Rho)x -0.4161710E-15 GRAD(Rho)y 0.3277814E-15 GRAD(Rho)z -0.3794708E-16 Laplacian 0.6744286E+00 (-1/4)Del**2(Rho)) -0.1686071E+00 Diamond 0.1624769E+01 Metallicity 0.5541160E+01 Ellipticity 0.4718484E-01 Gb(Abramov) 0.2681179E+00 Vb(Abramov) -0.3676287E+00 Hb(Abramov) -0.9951080E-01 Ex_ueg -0.7174481E-01 Ec_ueg -0.9997300E-02 Delta_ex -0.7507469E-01 Delta_ec 0.1635191E-01 Delta_et -0.2214183E+00 Pxc 0.7176418E+01 Qxc -0.4591188E+01 3,-1 179 3 -1 3.192823 -3.321331 -0.084730 Rho 0.1940241E+00 |GRAD(Rho)| 0.5651174E-13 GRAD(Rho)x 0.4614852E-13 GRAD(Rho)y -0.2655748E-13 GRAD(Rho)z -0.1893649E-13 Laplacian 0.7346635E+00 (-1/4)Del**2(Rho)) -0.1836659E+00 Diamond 0.2022832E+01 Metallicity 0.6099358E+01 Ellipticity 0.8977245E-02 Gb(Abramov) 0.3091513E+00 Vb(Abramov) -0.4346366E+00 Hb(Abramov) -0.1254854E+00 Ex_ueg -0.8295819E-01 Ec_ueg -0.1131911E-01 Delta_ex -0.8410128E-01 Delta_ec 0.1737379E-01 Delta_et -0.2380257E+00 Pxc 0.7329041E+01 Qxc -0.4840699E+01 3,-1 180 3 -1 3.051530 2.032047 -0.801956 Rho 0.1651887E+00 |GRAD(Rho)| 0.1829319E-14 GRAD(Rho)x -0.1530893E-14 GRAD(Rho)y -0.9459664E-15 GRAD(Rho)z -0.3285133E-15 Laplacian 0.6436526E+00 (-1/4)Del**2(Rho)) -0.1609132E+00 Diamond 0.1460889E+01 Metallicity 0.5324297E+01 Ellipticity 0.3432728E-01 Gb(Abramov) 0.2500670E+00 Vb(Abramov) -0.3392209E+00 Hb(Abramov) -0.8915385E-01 Ex_ueg -0.6694101E-01 Ec_ueg -0.9422797E-02 Delta_ex -0.7075922E-01 Delta_ec 0.1588131E-01 Delta_et -0.2139391E+00 Pxc 0.7104154E+01 Qxc -0.4455503E+01 3,-1 181 3 -1 2.824170 -1.870039 -0.611225 Rho 0.1317444E+00 |GRAD(Rho)| 0.8003651E-14 GRAD(Rho)x -0.7447656E-14 GRAD(Rho)y -0.1722336E-14 GRAD(Rho)z 0.2371584E-14 Laplacian 0.5484934E+00 (-1/4)Del**2(Rho)) -0.1371233E+00 Diamond 0.9737903E+00 Metallicity 0.4285442E+01 Ellipticity 0.1482501E-01 Gb(Abramov) 0.1893546E+00 Vb(Abramov) -0.2415858E+00 Hb(Abramov) -0.5223123E-01 Ex_ueg -0.4951021E-01 Ec_ueg -0.7285349E-02 Delta_ex -0.5733849E-01 Delta_ec 0.1484442E-01 Delta_et -0.1947155E+00 Pxc 0.6795860E+01 Qxc -0.3862629E+01 3,-1 182 3 -1 3.195054 3.237374 0.113727 Rho 0.2269279E+00 |GRAD(Rho)| 0.1472804E-12 GRAD(Rho)x -0.8793053E-13 GRAD(Rho)y -0.1100951E-12 GRAD(Rho)z -0.4288117E-13 Laplacian 0.8325630E+00 (-1/4)Del**2(Rho)) -0.2081407E+00 Diamond 0.2758876E+01 Metallicity 0.6987836E+01 Ellipticity 0.4493574E-03 Gb(Abramov) 0.3811694E+00 Vb(Abramov) -0.5541980E+00 Hb(Abramov) -0.1730287E+00 Ex_ueg -0.1022278E+00 Ec_ueg -0.1354016E-01 Delta_ex -0.9917029E-01 Delta_ec 0.1875991E-01 Delta_et -0.2595178E+00 Pxc 0.7549969E+01 Qxc -0.5286289E+01 3,-1 183 3 -1 -0.650286 1.796400 -2.892478 Rho 0.1487306E+00 |GRAD(Rho)| 0.2511197E-15 GRAD(Rho)x 0.1868351E-15 GRAD(Rho)y 0.1677803E-15 GRAD(Rho)z -0.1870249E-17 Laplacian 0.6265861E+00 (-1/4)Del**2(Rho)) -0.1566465E+00 Diamond 0.1273240E+01 Metallicity 0.4591623E+01 Ellipticity 0.1302764E-01 Gb(Abramov) 0.2243080E+00 Vb(Abramov) -0.2919694E+00 Hb(Abramov) -0.6766145E-01 Ex_ueg -0.5819943E-01 Ec_ueg -0.8362302E-02 Delta_ex -0.6731390E-01 Delta_ec 0.1622575E-01 Delta_et -0.2164106E+00 Pxc 0.6959738E+01 Qxc -0.4148585E+01 3,-1 184 3 -1 1.260287 -1.837452 -2.685387 Rho 0.3090336E+00 |GRAD(Rho)| 0.1665378E-14 GRAD(Rho)x -0.7669513E-15 GRAD(Rho)y 0.1155812E-14 GRAD(Rho)z 0.9216129E-15 Laplacian -0.1522153E+01 (-1/4)Del**2(Rho)) 0.3805382E+00 Diamond 0.5177315E+01 Metallicity -0.6394860E+01 Ellipticity 0.2750129E-02 Gb(Abramov) 0.1518893E+00 Vb(Abramov) -0.6843169E+00 Hb(Abramov) -0.5324276E+00 Ex_ueg -0.1543095E+00 Ec_ueg -0.1934191E-01 Delta_ex 0.1492283E+00 Delta_ec 0.5362479E-01 Delta_et -0.1252969E+01 Pxc 0.7977985E+01 Qxc 0.2782823E+01 3,-1 185 3 -1 -0.782403 -3.533061 -1.273843 Rho 0.3083066E+00 |GRAD(Rho)| 0.5084523E-15 GRAD(Rho)x -0.2670610E-15 GRAD(Rho)y 0.3924090E-15 GRAD(Rho)z -0.1822563E-15 Laplacian -0.1540414E+01 (-1/4)Del**2(Rho)) 0.3851034E+00 Diamond 0.5179858E+01 Metallicity -0.6294296E+01 Ellipticity 0.1677591E-02 Gb(Abramov) 0.1472569E+00 Vb(Abramov) -0.6796172E+00 Hb(Abramov) -0.5323603E+00 Ex_ueg -0.1538257E+00 Ec_ueg -0.1928891E-01 Delta_ex 0.1510488E+00 Delta_ec 0.5396412E-01 Delta_et -0.1260735E+01 Pxc 0.7974824E+01 Qxc 0.2799060E+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 80 128 118 116 141 138 175 136 125 176 114 135 183 120 140 144 134 110 103 142 119 109 133 153 181 151 177 163 179 124 165 145 180 178 182 92 72 94 73 83 75 64 174 89 62 59 57 96 69 80 60 78 63 79 77 97 70 82 66 105 169 143 167 160 173 148 166 159 170 161 172 130 127 168 106 184 126 104 152 137 185 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 14 14 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 20 36 52 24 27 52 53 53 2.385409 1.967984 1.855531 2.000564 1.897323 1.768106 1.730212 1.687572 1.717944 1.735116 2.423490 1.915192 1.995422 2.014761 2.151335 1.815768 2.403466 1.941569 1.938051 1.945102 1.874732 1.766736 2.443221 1.964420 1.856833 2.218934 2.098876 1.824955 2.454376 1.988367 1.967001 1.887201 1.867438 1.764606 2.423210 1.862554 1.953739 2.114349 2.164664 1.825145 2.352259 2.062319 2.110074 1.928312 1.989674 1.810568 2.492442 2.207834 2.035167 2.058153 1.828350 1.834249 2.392022 1.881366 1.950326 1.889368 2.003099 1.766892 2.446895 1.923307 1.974581 1.854544 1.946523 1.766653 2.508513 1.985774 1.979254 2.088590 1.983903 1.811802 3.412031 3.198397 3.308948 3.538494 1.005102 3.147696 3.293838 1.776597 1.786959 1.006841 2.387132 1.968366 1.855844 2.001111 1.897742 1.768115 1.730236 1.687604 1.717968 1.735134 2.425502 1.915404 1.995627 2.015041 2.151658 1.815778 2.405471 1.942033 1.938477 1.945600 1.875092 1.766750 2.445153 1.964577 1.856872 2.219218 2.099137 1.824982 2.456278 1.988800 1.967468 1.887596 1.867798 1.764624 2.424896 1.862690 1.953914 2.114598 2.164994 1.825151 2.355050 2.062519 2.110321 1.928609 1.990435 1.810585 2.494716 2.208026 2.035288 2.058392 1.828357 1.834260 2.393688 1.881683 1.950794 1.889775 2.003605 1.766906 2.448587 1.923775 1.974981 1.854856 1.947027 1.766669 2.510553 1.986001 1.980024 2.088848 1.984189 1.811807 3.519018 3.202086 3.311171 3.540203 1.005160 3.149140 3.296402 1.781392 1.789064 1.006928 30 26 24 28 27 22 26 22 22 24 31 24 27 27 30 26 32 27 27 28 26 24 31 25 25 25 28 22 34 28 27 24 23 23 31 22 27 26 29 23 27 24 28 24 24 24 30 26 25 26 25 24 27 24 26 24 29 22 34 25 27 25 27 24 30 26 26 25 26 24 38 35 35 37 18 37 36 26 27 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta W Ta W Ta Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4021 2.4192 2.1411 2.4112 2.0576 2.3982 2.1054 2.1551 2.0127 2.3992 2.4012 2.1363 -1.1088 -1.0053 -1.0977 -1.1131 -0.9744 -1.0362 -0.9954 -0.9788 -0.8751 -0.9758 -1.0328 -0.9757 -1.0337 -0.9640 -0.9788 -1.0114 -0.9765 -1.0611 -1.0030 -1.0051 -1.0096 -1.0625 -1.0064 -1.0077 -0.9072 -0.9948 -1.0135 -0.9881 -0.8885 -0.9891 -0.9950 -0.8845 -1.0095 -0.8801 -1.0107 -0.9793 -1.0354 -0.8854 -0.8856 0.2811 0.3153 2.1104 0.8627 2.1291 2.1048 2.1434 2.1155 2.1288 2.1386 2.1661 2.1124 2.1091 2.1327 1.9347 1.9513 1.9379 1.9321 1.9286 1.9206 1.9285 1.9275 1.8647 1.9279 1.9208 1.9275 1.9213 1.9310 1.9274 1.9372 1.9398 1.9249 1.9343 1.9356 1.9335 1.9252 1.9336 1.9271 1.8647 1.9372 1.9343 1.9370 1.9504 1.9335 1.9335 1.9498 1.9310 1.9514 1.9312 1.9343 1.9269 1.9508 1.9501 0.5656 0.5374 6.0999 1.1746 6.0949 6.0947 6.1072 6.1012 6.0895 6.0882 6.1090 6.1010 6.0976 6.0985 5.1390 5.0196 5.1256 5.1458 5.0185 5.0912 5.0424 5.0231 4.9831 5.0201 5.0880 5.0202 5.0880 5.0042 5.0231 5.0485 5.0089 5.1110 5.0404 5.0417 5.0472 5.1139 5.0436 5.0583 5.0166 5.0303 5.0517 5.0229 4.9075 5.0315 5.0378 4.9039 5.0557 4.8975 5.0566 5.0209 5.0867 4.9039 4.9047 0.1533 0.1474 3.3577 10.5434 2.6006 3.3593 2.6585 3.3553 2.6422 2.5839 2.6792 3.3575 3.3623 2.5984 0.0350 0.0344 0.0342 0.0352 0.0274 0.0243 0.0245 0.0282 0.0272 0.0278 0.0240 0.0280 0.0243 0.0288 0.0283 0.0257 0.0279 0.0251 0.0283 0.0278 0.0290 0.0234 0.0292 0.0223 0.0259 0.0273 0.0275 0.0283 0.0306 0.0241 0.0237 0.0308 0.0228 0.0311 0.0228 0.0241 0.0218 0.0307 0.0308 0.0000 0.0000 14.0299 0.0000 14.0344 14.0300 14.0332 14.0297 14.0341 14.0342 14.0330 14.0298 14.0298 14.0341 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 As Ta W Ta W Ta Ta Ta W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.491511 2.302854 2.349056 2.496495 2.315536 2.495040 2.324317 2.377304 2.329298 2.491837 2.492188 2.353122 -1.092164 -1.036011 -1.093054 -1.095909 -1.012636 -1.071103 -1.070951 -1.003047 -0.734365 -1.005199 -1.078546 -1.006861 -1.077320 -1.000684 -1.003093 -0.917555 -1.011201 -1.084018 -1.024889 -1.025298 -1.016003 -1.087755 -1.014356 -1.111138 -0.737159 -1.021943 -1.030633 -1.013595 -0.947223 -1.095223 -1.102284 -0.943527 -1.126304 -0.936248 -1.125764 -1.076692 -1.155864 -0.943633 -0.944228 0.020299 0.034622 1.916791 1.751634 1.830062 1.920858 1.793048 1.930871 1.807932 1.885532 1.854021 1.920831 1.919530 1.859483 -0.698095 -0.678411 -0.703182 -0.700945 -0.777131 -0.831008 -0.844730 -0.747879 -0.943962 -0.743073 -0.826779 -0.745952 -0.830760 -0.764883 -0.743066 -0.807659 -0.874953 -0.917338 -0.867830 -0.880738 -0.851977 -0.904838 -0.854059 -1.066081 -0.974610 -0.885186 -0.877014 -0.871261 -0.878036 -1.045470 -1.064606 -0.874037 -1.088654 -0.865033 -1.084214 -1.020692 -1.128872 -0.872958 -0.874403 0.312857 0.306929 2.030493 1.678668 1.958574 2.033988 1.911181 2.041584 1.926451 1.981151 1.969397 2.036467 2.033431 1.976027 -0.772903 -0.758494 -0.787583 -0.782288 -0.865250 -0.923610 -0.918966 -0.835778 -0.931994 -0.830905 -0.929120 -0.826511 -0.916555 -0.863839 -0.832698 -0.933401 -0.890514 -0.949873 -0.896551 -0.909460 -0.885532 -0.966093 -0.884627 -1.054053 -0.952245 -0.903522 -0.911644 -0.888752 -0.840214 -1.032038 -1.036878 -0.840222 -1.062484 -0.831787 -1.059325 -1.001105 -1.117987 -0.836189 -0.841628 0.356591 0.368616 10.57773952 -0.89056423 17.76161843 20.69194934 -38.05232126 26.00283154 -24.38893621 25.05121320 31.49926191 13.00110806 -356.0455 417.5290 45.4849 -440.1560 -143.5618 -476.7493 Jun20-2024 10:05:33 Nodes: 1 Procs: 1 Jun20-2024 10:05:41 Nodes: 1 Procs: 1 0 Jun20-2024 10:05:52 Nodes: 1 Procs: 1 Jun20-2024 10:05:55 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 10:06:00 Nodes: 1 Procs: 1 Jun20-2024 10:06:03 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 10:06:08 Nodes: 1 Procs: 1 Jun20-2024 10:06:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 10:06:14 Nodes: 1 Procs: 1 Jun20-2024 10:06:18 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 10:06:25 Nodes: 1 Procs: 5 *** (NO TITLE) *** -11 -17.04636634 -17.33958558 -17.36292280 -17.40848996 -17.45862060 -17.47619681 -17.48588805 -17.49171971 -17.50005943 -17.50307877 -17.50964056 -17.51572320 -17.51788819 -17.51803132 -17.51882347 -17.51945801 -17.51968404 -17.51988970 -17.52009737 -17.52019942 -17.52018350 -17.52026134 -17.52027081 -17.52021639 GEOMETRY CONVERGED