ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:45:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.41 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 May02-2024 10:45:58 Nodes: 1 Procs: 1 May02-2024 10:45:59 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:45:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.81 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 May02-2024 10:45:58 Nodes: 1 Procs: 1 May02-2024 10:45:59 Nodes: 1 Procs: 1 0 May02-2024 10:45:59 Nodes: 1 Procs: 1 May02-2024 10:46:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:46:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.02 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 May02-2024 10:45:58 Nodes: 1 Procs: 1 May02-2024 10:45:59 Nodes: 1 Procs: 1 0 May02-2024 10:45:59 Nodes: 1 Procs: 1 May02-2024 10:46:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May02-2024 10:46:00 Nodes: 1 Procs: 1 May02-2024 10:46:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:46:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 0.04 0.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 May02-2024 10:45:58 Nodes: 1 Procs: 1 May02-2024 10:45:59 Nodes: 1 Procs: 1 0 May02-2024 10:45:59 Nodes: 1 Procs: 1 May02-2024 10:46:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May02-2024 10:46:00 Nodes: 1 Procs: 1 May02-2024 10:46:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May02-2024 10:46:02 Nodes: 1 Procs: 1 May02-2024 10:46:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:46:02 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.05 1.41 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 May02-2024 10:45:58 Nodes: 1 Procs: 1 May02-2024 10:45:59 Nodes: 1 Procs: 1 0 May02-2024 10:45:59 Nodes: 1 Procs: 1 May02-2024 10:46:00 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 May02-2024 10:46:00 Nodes: 1 Procs: 1 May02-2024 10:46:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May02-2024 10:46:02 Nodes: 1 Procs: 1 May02-2024 10:46:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May02-2024 10:46:02 Nodes: 1 Procs: 1 May02-2024 10:46:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi May02-2024 10:46:05 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2325.590361000001 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244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.616 -6.591 -6.541 -6.514 -6.495 -6.455 -6.434 -6.243 -6.206 -6.189 -3.849 -3.621 -3.402 -3.311 -3.189 -2.944 -2.898 -2.887 -2.787 -2.676 A A A A A A A A A A A A A A A A A A A A 0.00000000072605 0.00043297626767 0.00028639598933 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 74 74 74 74 74 74 74 15 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 0.085858 -2.575241 2.543315 2.459875 -2.571177 -0.014563 2.562507 2.502228 -0.085565 -2.591110 -2.507531 -0.095272 -2.465201 -0.272583 -2.692387 -2.508304 0.110547 2.597825 2.519094 -0.141555 2.555451 -0.084306 -0.023962 -0.014929 0.041040 2.540530 -2.476312 -0.107321 2.585332 2.529385 -2.635093 2.482273 0.088518 2.560017 0.088411 -2.613210 0.824226 -0.944377 0.875623 -1.015204 -0.885254 -0.905535 0.845635 0.879041 -0.884795 -0.935391 0.887670 0.936074 -3.024008 -1.115004 1.186750 3.056712 -1.159632 -1.146407 -3.030314 1.194165 -1.115478 3.026707 1.161641 1.192145 1.327687 -1.281646 -3.092506 1.151570 1.165801 2.988231 -1.174392 1.158472 -2.990383 -1.176991 -1.158502 3.077183 -1.163213 3.071572 -1.125732 -1.238087 -2.998253 1.250087 1.182798 3.041118 1.146357 1.164487 -3.067108 -1.178470 3.315087 -1.496334 1.524232 -3.414843 -1.539511 -1.526586 3.396644 1.468109 -1.468656 -3.409393 1.531454 1.588622 1.439226 -1.488792 3.429284 1.500175 1.450887 -3.384705 -1.491179 1.517770 3.438498 -1.718570 -1.462102 -3.732469 -1.530257 -3.587766 -1.276723 -1.487355 3.394306 1.523495 1.466466 -3.392926 1.523595 1.527781 3.345524 -1.509700 -0.204106 -3.775457 3.762049 3.817292 -0.125113 -3.778522 -0.212626 3.723574 -3.707907 0.226196 3.774085 3.737060 3.710189 -3.768824 -0.220753 3.771926 3.713853 0.196226 -3.810629 3.723769 -0.185059 -3.862688 -3.638988 0.235652 -3.812751 0.282641 -3.660100 -3.723751 -0.186222 3.801072 3.716908 0.158667 3.775441 1.107860 -1.978101 -2.386050 -0.549980 -3.366578 -1.272899 1 3 -3 0.085858 -2.575241 2.543315 Rho 0.4361414E+07 3,-3 2 3 -3 2.459875 -2.571177 -0.014563 Rho 0.4361415E+07 3,-3 3 3 -3 2.562507 2.502228 -0.085565 Rho 0.4361414E+07 3,-3 4 3 -3 -2.591110 -2.507531 -0.095272 Rho 0.4361415E+07 3,-3 5 3 -3 -2.465201 -0.272583 -2.692387 Rho 0.4361415E+07 3,-3 6 3 -3 -2.508304 0.110547 2.597825 Rho 0.4361414E+07 3,-3 7 3 -3 2.519094 -0.141555 2.555451 Rho 0.4361414E+07 3,-3 8 3 -3 -0.084306 -0.023962 -0.014929 Rho 0.2439525E+04 3,-3 9 3 -3 0.041040 2.540530 -2.476312 Rho 0.1240649E+06 3,-3 10 3 -3 -0.107321 2.585332 2.529385 Rho 0.1240649E+06 3,-3 11 3 -3 -2.635093 2.482273 0.088518 Rho 0.1240649E+06 3,-3 12 3 -3 2.560017 0.088411 -2.613210 Rho 0.1240650E+06 3,-3 13 3 -3 0.824226 -0.944377 0.875623 Rho 0.3187807E+03 3,-3 14 3 -3 -1.015204 -0.885254 -0.905535 Rho 0.3187773E+03 3,-3 15 3 -3 0.845635 0.879041 -0.884795 Rho 0.3187898E+03 3,-3 16 3 -3 -0.935391 0.887670 0.936074 Rho 0.3187777E+03 3,-3 17 3 -3 -3.024008 -1.115004 1.186750 Rho 0.3188721E+03 3,-3 18 3 -3 3.056712 -1.159632 -1.146407 Rho 0.3189194E+03 3,-3 19 3 -3 -3.030314 1.194165 -1.115478 Rho 0.3191620E+03 3,-3 20 3 -3 3.026707 1.161641 1.192145 Rho 0.3188714E+03 3,-3 21 3 -3 1.327687 -1.281646 -3.092506 Rho 0.3188330E+03 3,-3 22 3 -3 1.151570 1.165801 2.988231 Rho 0.3189437E+03 3,-3 23 3 -3 -1.174392 1.158472 -2.990383 Rho 0.3189158E+03 3,-3 24 3 -3 -1.176991 -1.158502 3.077183 Rho 0.3188808E+03 3,-3 25 3 -3 -1.163213 3.071572 -1.125732 Rho 0.3190210E+03 3,-3 26 3 -3 -1.238087 -2.998253 1.250087 Rho 0.3188715E+03 3,-3 27 3 -3 1.182798 3.041118 1.146357 Rho 0.3189366E+03 3,-3 28 3 -3 1.164487 -3.067108 -1.178470 Rho 0.3191180E+03 3,-3 29 3 -3 3.315087 -1.496334 1.524232 Rho 0.3189830E+03 3,-3 30 3 -3 -3.414843 -1.539511 -1.526586 Rho 0.3189202E+03 3,-3 31 3 -3 3.396644 1.468109 -1.468656 Rho 0.3190168E+03 3,-3 32 3 -3 -3.409393 1.531454 1.588622 Rho 0.3190167E+03 3,-3 33 3 -3 1.439226 -1.488792 3.429284 Rho 0.3189410E+03 3,-3 34 3 -3 1.500175 1.450887 -3.384705 Rho 0.3190980E+03 3,-3 35 3 -3 -1.491179 1.517770 3.438498 Rho 0.3190141E+03 3,-3 36 3 -3 -1.718570 -1.462102 -3.732469 Rho 0.3193151E+03 3,-3 37 3 -3 -1.530257 -3.587766 -1.276723 Rho 0.3187338E+03 3,-3 38 3 -3 -1.487355 3.394306 1.523495 Rho 0.3191122E+03 3,-3 39 3 -3 1.466466 -3.392926 1.523595 Rho 0.3189470E+03 3,-3 40 3 -3 1.527781 3.345524 -1.509700 Rho 0.3190236E+03 3,-3 41 3 -3 -0.204106 -3.775457 3.762049 Rho 0.3193355E+03 3,-3 42 3 -3 3.817292 -0.125113 -3.778522 Rho 0.3194593E+03 3,-3 43 3 -3 -0.212626 3.723574 -3.707907 Rho 0.3194781E+03 3,-3 44 3 -3 0.226196 3.774085 3.737060 Rho 0.3194665E+03 3,-3 45 3 -3 3.710189 -3.768824 -0.220753 Rho 0.3192944E+03 3,-3 46 3 -3 3.771926 3.713853 0.196226 Rho 0.3193388E+03 3,-3 47 3 -3 -3.810629 3.723769 -0.185059 Rho 0.3194502E+03 3,-3 48 3 -3 -3.862688 -3.638988 0.235652 Rho 0.3193406E+03 3,-3 49 3 -3 -3.812751 0.282641 -3.660100 Rho 0.3192780E+03 3,-3 50 3 -3 -3.723751 -0.186222 3.801072 Rho 0.3193369E+03 3,-3 51 3 -3 3.716908 0.158667 3.775441 Rho 0.3193280E+03 3,-3 52 3 -3 1.107860 -1.978101 -2.386050 Rho 0.4213711E+00 3,-3 53 3 -3 -0.549980 -3.366578 -1.272899 Rho 0.4304501E+00 3,-3 54 3 -1 -1.706515 -0.558917 -1.757882 Rho 0.4754419E-01 |GRAD(Rho)| 0.2382232E-15 GRAD(Rho)x 0.1917907E-15 GRAD(Rho)y -0.2821456E-16 GRAD(Rho)z 0.1384577E-15 Laplacian 0.1900813E+00 (-1/4)Del**2(Rho)) -0.4752033E-01 Diamond 0.9163997E-01 Metallicity 0.2262054E+01 Ellipticity 0.1341673E-01 Gb(Abramov) 0.4959580E-01 Vb(Abramov) -0.5167128E-01 Hb(Abramov) -0.2075478E-02 Ex_ueg -0.1272082E-01 Ec_ueg -0.2279582E-02 Delta_ex -0.1552574E-01 Delta_ec 0.5802322E-02 Delta_et -0.6041500E-01 Pxc 0.5580328E+01 Qxc -0.2675781E+01 3,-1 55 3 +1 -2.150163 1.307058 1.106843 Rho 0.2465189E-01 |GRAD(Rho)| 0.2106928E-13 GRAD(Rho)x -0.1237441E-13 GRAD(Rho)y 0.1463655E-13 GRAD(Rho)z -0.8749856E-14 Laplacian 0.9688217E-01 (-1/4)Del**2(Rho)) -0.2422054E-01 Diamond 0.1256218E-01 Metallicity 0.1485205E+01 Ellipticity -0.3709446E+01 Gb(Abramov) 0.2214244E-01 Vb(Abramov) -0.2006434E-01 Hb(Abramov) 0.2078104E-02 Ex_ueg -0.5298895E-02 Ec_ueg -0.1071203E-02 Delta_ex -0.6017782E-02 Delta_ec 0.1670353E-02 Delta_et -0.1468762E-01 Pxc 0.4946676E+01 Qxc -0.3602700E+01 3,+1 56 3 -1 -3.009956 -1.981857 -0.860565 Rho 0.1530165E+00 |GRAD(Rho)| 0.1222321E-15 GRAD(Rho)x 0.6342583E-16 GRAD(Rho)y 0.2638677E-16 GRAD(Rho)z 0.1011019E-15 Laplacian 0.6071296E+00 (-1/4)Del**2(Rho)) -0.1517824E+00 Diamond 0.1266001E+01 Metallicity 0.4968543E+01 Ellipticity 0.5773262E-01 Gb(Abramov) 0.2268778E+00 Vb(Abramov) -0.3019732E+00 Hb(Abramov) -0.7509542E-01 Ex_ueg -0.6044627E-01 Ec_ueg -0.8636894E-02 Delta_ex -0.6557731E-01 Delta_ec 0.1542982E-01 Delta_et -0.2062057E+00 Pxc 0.6998612E+01 Qxc -0.4250037E+01 3,-1 57 3 -1 -2.803466 -1.764303 0.588710 Rho 0.1392846E+00 |GRAD(Rho)| 0.5388940E-15 GRAD(Rho)x -0.3146897E-16 GRAD(Rho)y 0.3044575E-15 GRAD(Rho)z 0.4435336E-15 Laplacian 0.5843402E+00 (-1/4)Del**2(Rho)) -0.1460851E+00 Diamond 0.1083885E+01 Metallicity 0.4413527E+01 Ellipticity 0.1109173E-01 Gb(Abramov) 0.2048484E+00 Vb(Abramov) -0.2636118E+00 Hb(Abramov) -0.5876338E-01 Ex_ueg -0.5332397E-01 Ec_ueg -0.7761143E-02 Delta_ex -0.6163169E-01 Delta_ec 0.1511013E-01 Delta_et -0.1990140E+00 Pxc 0.6870634E+01 Qxc -0.4078833E+01 3,-1 58 3 +1 -2.182669 -1.163161 -1.255866 Rho 0.2814605E-01 |GRAD(Rho)| 0.1753624E-15 GRAD(Rho)x -0.9385530E-16 GRAD(Rho)y -0.6922259E-17 GRAD(Rho)z 0.1479704E-15 Laplacian 0.1172881E+00 (-1/4)Del**2(Rho)) -0.2932203E-01 Diamond 0.1955623E-01 Metallicity 0.1530106E+01 Ellipticity -0.6178394E+01 Gb(Abramov) 0.2702566E-01 Vb(Abramov) -0.2472928E-01 Hb(Abramov) 0.2296373E-02 Ex_ueg -0.6323270E-02 Ec_ueg -0.1248381E-02 Delta_ex -0.7668950E-02 Delta_ec 0.2237965E-02 Delta_et -0.2029490E-01 Pxc 0.5065176E+01 Qxc -0.3426752E+01 3,+1 59 3 -1 -1.868066 -2.751470 0.617829 Rho 0.1296995E+00 |GRAD(Rho)| 0.1250785E-14 GRAD(Rho)x -0.7724263E-15 GRAD(Rho)y 0.2307487E-15 GRAD(Rho)z -0.9563341E-15 Laplacian 0.5430281E+00 (-1/4)Del**2(Rho)) -0.1357570E+00 Diamond 0.9328880E+00 Metallicity 0.4217171E+01 Ellipticity 0.2192331E-01 Gb(Abramov) 0.1859231E+00 Vb(Abramov) -0.2360892E+00 Hb(Abramov) -0.5016609E-01 Ex_ueg -0.4848819E-01 Ec_ueg -0.7156948E-02 Delta_ex -0.5639467E-01 Delta_ec 0.1446481E-01 Delta_et -0.1887233E+00 Pxc 0.6774981E+01 Qxc -0.3898751E+01 3,-1 60 3 +1 -2.907903 -0.189552 -0.215370 Rho 0.5166469E-02 |GRAD(Rho)| 0.2288008E-15 GRAD(Rho)x 0.1547158E-16 GRAD(Rho)y -0.1841364E-15 GRAD(Rho)z -0.1349230E-15 Laplacian 0.2135339E-01 (-1/4)Del**2(Rho)) -0.5338347E-02 Diamond 0.4297826E-03 Metallicity 0.4982753E+00 Ellipticity -0.1669666E+01 Gb(Abramov) 0.4002225E-02 Vb(Abramov) -0.2666104E-02 Hb(Abramov) 0.1336121E-02 Ex_ueg -0.6596448E-03 Ec_ueg -0.1540836E-03 Delta_ex -0.9878857E-03 Delta_ec 0.5286236E-03 Delta_et -0.2957148E-02 Pxc 0.4281082E+01 Qxc -0.1868789E+01 3,+1 61 3 -1 -2.748889 0.495023 -1.858120 Rho 0.6867039E-01 |GRAD(Rho)| 0.1611916E-12 GRAD(Rho)x 0.1218442E-12 GRAD(Rho)y 0.2936402E-13 GRAD(Rho)z -0.1013630E-12 Laplacian 0.2861526E+00 (-1/4)Del**2(Rho)) -0.7153816E-01 Diamond 0.2254732E+00 Metallicity 0.2773094E+01 Ellipticity 0.8663382E-02 Gb(Abramov) 0.8075578E-01 Vb(Abramov) -0.8997340E-01 Hb(Abramov) -0.9217619E-02 Ex_ueg -0.2076878E-01 Ec_ueg -0.3470312E-02 Delta_ex -0.2559772E-01 Delta_ec 0.8615063E-02 Delta_et -0.9853722E-01 Pxc 0.5984702E+01 Qxc -0.2971275E+01 3,-1 62 3 +1 -0.601854 1.699130 -0.499742 Rho 0.8349559E-02 |GRAD(Rho)| 0.1703495E-16 GRAD(Rho)x -0.9625977E-17 GRAD(Rho)y 0.1355082E-16 GRAD(Rho)z -0.3729011E-17 Laplacian 0.3405831E-01 (-1/4)Del**2(Rho)) -0.8514577E-02 Diamond 0.9242745E-03 Metallicity 0.6952848E+00 Ellipticity -0.1443003E+01 Gb(Abramov) 0.6663060E-02 Vb(Abramov) -0.4811544E-02 Hb(Abramov) 0.1851516E-02 Ex_ueg -0.1251036E-02 Ec_ueg -0.2937887E-03 Delta_ex -0.1567209E-02 Delta_ec 0.5200955E-03 Delta_et -0.3494418E-02 Pxc 0.4258285E+01 Qxc -0.3013310E+01 3,+1 63 3 -1 -2.952644 -0.941374 -2.060278 Rho 0.1343074E+00 |GRAD(Rho)| 0.1084133E-14 GRAD(Rho)x -0.6237618E-15 GRAD(Rho)y -0.7174437E-15 GRAD(Rho)z 0.5210947E-15 Laplacian 0.5222003E+00 (-1/4)Del**2(Rho)) -0.1305501E+00 Diamond 0.9434621E+00 Metallicity 0.4648103E+01 Ellipticity 0.2659955E-01 Gb(Abramov) 0.1881684E+00 Vb(Abramov) -0.2457868E+00 Hb(Abramov) -0.5761834E-01 Ex_ueg -0.5079857E-01 Ec_ueg -0.7446659E-02 Delta_ex -0.5478112E-01 Delta_ec 0.1395804E-01 Delta_et -0.1834651E+00 Pxc 0.6821659E+01 Qxc -0.3924699E+01 3,-1 64 3 +1 -0.567771 -0.563040 1.712453 Rho 0.8621658E-02 |GRAD(Rho)| 0.1866233E-16 GRAD(Rho)x 0.6397615E-17 GRAD(Rho)y 0.1298353E-16 GRAD(Rho)z -0.1178054E-16 Laplacian 0.3596309E-01 (-1/4)Del**2(Rho)) -0.8990772E-02 Diamond 0.9955623E-03 Metallicity 0.6946096E+00 Ellipticity -0.1406322E+01 Gb(Abramov) 0.7034694E-02 Vb(Abramov) -0.5078616E-02 Hb(Abramov) 0.1956078E-02 Ex_ueg -0.1305688E-02 Ec_ueg -0.3059492E-03 Delta_ex -0.1657381E-02 Delta_ec 0.5299836E-03 Delta_et -0.3605336E-02 Pxc 0.4267662E+01 Qxc -0.3127230E+01 3,+1 65 3 +1 -2.011524 2.033197 2.045920 Rho 0.1221050E-01 |GRAD(Rho)| 0.3129029E-14 GRAD(Rho)x -0.1099011E-14 GRAD(Rho)y 0.2821442E-16 GRAD(Rho)z -0.2929539E-14 Laplacian 0.5721189E-01 (-1/4)Del**2(Rho)) -0.1430297E-01 Diamond 0.1962514E-02 Metallicity 0.7798583E+00 Ellipticity -0.1169797E+01 Gb(Abramov) 0.1139436E-01 Vb(Abramov) -0.8485755E-02 Hb(Abramov) 0.2908609E-02 Ex_ueg -0.2076648E-02 Ec_ueg -0.4692949E-03 Delta_ex -0.2716360E-02 Delta_ec 0.5483677E-03 Delta_et -0.4277228E-02 Pxc 0.4425037E+01 Qxc -0.4953538E+01 3,+1 66 3 -1 -2.018920 2.942566 0.839484 Rho 0.1034875E+00 |GRAD(Rho)| 0.4066442E-12 GRAD(Rho)x -0.3823842E-12 GRAD(Rho)y -0.7089558E-13 GRAD(Rho)z 0.1188092E-12 Laplacian 0.4084875E+00 (-1/4)Del**2(Rho)) -0.1021219E+00 Diamond 0.5261208E+00 Metallicity 0.3848112E+01 Ellipticity 0.1205462E-01 Gb(Abramov) 0.1335773E+00 Vb(Abramov) -0.1650327E+00 Hb(Abramov) -0.3145544E-01 Ex_ueg -0.3588412E-01 Ec_ueg -0.5536793E-02 Delta_ex -0.4007293E-01 Delta_ec 0.1120615E-01 Delta_et -0.1400164E+00 Pxc 0.6481030E+01 Qxc -0.3575976E+01 3,-1 67 3 -1 -1.775837 0.486846 -2.833742 Rho 0.1355153E+00 |GRAD(Rho)| 0.4094858E-15 GRAD(Rho)x -0.2503694E-15 GRAD(Rho)y -0.3167090E-15 GRAD(Rho)z 0.6847753E-16 Laplacian 0.5650615E+00 (-1/4)Del**2(Rho)) -0.1412654E+00 Diamond 0.1029079E+01 Metallicity 0.4360117E+01 Ellipticity 0.1515089E-01 Gb(Abramov) 0.1968325E+00 Vb(Abramov) -0.2523996E+00 Hb(Abramov) -0.5556714E-01 Ex_ueg -0.5140866E-01 Ec_ueg -0.7522837E-02 Delta_ex -0.5937285E-01 Delta_ec 0.1501319E-01 Delta_et -0.1975075E+00 Pxc 0.6833680E+01 Qxc -0.3954714E+01 3,-1 68 3 +1 -0.590308 0.532379 -1.667321 Rho 0.9077860E-02 |GRAD(Rho)| 0.2375062E-13 GRAD(Rho)x 0.2170166E-13 GRAD(Rho)y 0.5378490E-14 GRAD(Rho)z 0.8012597E-14 Laplacian 0.3867112E-01 (-1/4)Del**2(Rho)) -0.9667780E-02 Diamond 0.1200456E-02 Metallicity 0.7039344E+00 Ellipticity -0.1452425E+01 Gb(Abramov) 0.7579434E-02 Vb(Abramov) -0.5491088E-02 Hb(Abramov) 0.2088346E-02 Ex_ueg -0.1398609E-02 Ec_ueg -0.3264112E-03 Delta_ex -0.1827273E-02 Delta_ec 0.6088251E-03 Delta_et -0.4167826E-02 Pxc 0.4284807E+01 Qxc -0.3001311E+01 3,+1 69 3 +1 -1.740813 0.555832 -0.501089 Rho 0.9258063E-02 |GRAD(Rho)| 0.9710408E-17 GRAD(Rho)x 0.4129340E-17 GRAD(Rho)y -0.8712402E-17 GRAD(Rho)z 0.1155261E-17 Laplacian 0.3891315E-01 (-1/4)Del**2(Rho)) -0.9728286E-02 Diamond 0.1255238E-02 Metallicity 0.7228536E+00 Ellipticity -0.1491042E+01 Gb(Abramov) 0.7657545E-02 Vb(Abramov) -0.5586804E-02 Hb(Abramov) 0.2070741E-02 Ex_ueg -0.1435749E-02 Ec_ueg -0.3345190E-03 Delta_ex -0.1853672E-02 Delta_ec 0.6232040E-03 Delta_et -0.4280912E-02 Pxc 0.4291981E+01 Qxc -0.2974422E+01 3,+1 70 3 +3 -2.408167 0.031273 0.019386 Rho 0.4789581E-02 |GRAD(Rho)| 0.9902198E-17 GRAD(Rho)x 0.1446828E-17 GRAD(Rho)y -0.8565085E-17 GRAD(Rho)z 0.4753897E-17 Laplacian 0.2012662E-01 (-1/4)Del**2(Rho)) -0.5031655E-02 Diamond 0.2088380E-03 Metallicity 0.4659489E+00 Ellipticity -0.4291061E+00 Gb(Abramov) 0.3745185E-02 Vb(Abramov) -0.2458716E-02 Hb(Abramov) 0.1286469E-02 Ex_ueg -0.5962775E-03 Ec_ueg -0.1378689E-03 Delta_ex -0.7621736E-03 Delta_ec 0.2226582E-03 Delta_et -0.1360664E-02 Pxc 0.4324961E+01 Qxc -0.3423065E+01 3,+3 71 3 +1 0.298013 -1.520565 -1.650604 Rho 0.5783363E-02 |GRAD(Rho)| 0.6190524E-15 GRAD(Rho)x 0.3747491E-15 GRAD(Rho)y -0.4884894E-15 GRAD(Rho)z 0.6455323E-16 Laplacian 0.2349150E-01 (-1/4)Del**2(Rho)) -0.5872875E-02 Diamond 0.6050246E-03 Metallicity 0.5466003E+00 Ellipticity -0.2246157E+01 Gb(Abramov) 0.4450269E-02 Vb(Abramov) -0.3027663E-02 Hb(Abramov) 0.1422606E-02 Ex_ueg -0.7667004E-03 Ec_ueg -0.1807783E-03 Delta_ex -0.1154764E-02 Delta_ec 0.6560952E-03 Delta_et -0.3755278E-02 Pxc 0.4241108E+01 Qxc -0.1760056E+01 3,+1 72 3 +1 -1.725401 -0.514781 0.559565 Rho 0.9765663E-02 |GRAD(Rho)| 0.1616511E-16 GRAD(Rho)x -0.1416555E-16 GRAD(Rho)y -0.5856942E-17 GRAD(Rho)z 0.5132656E-17 Laplacian 0.4129605E-01 (-1/4)Del**2(Rho)) -0.1032401E-01 Diamond 0.1371621E-02 Metallicity 0.7445163E+00 Ellipticity -0.1454970E+01 Gb(Abramov) 0.8163740E-02 Vb(Abramov) -0.6003469E-02 Hb(Abramov) 0.2160271E-02 Ex_ueg -0.1541656E-02 Ec_ueg -0.3574323E-03 Delta_ex -0.1970389E-02 Delta_ec 0.6199759E-03 Delta_et -0.4347437E-02 Pxc 0.4313140E+01 Qxc -0.3178171E+01 3,+1 73 3 +1 -0.099886 0.092607 2.939391 Rho 0.5179994E-02 |GRAD(Rho)| 0.6018252E-17 GRAD(Rho)x 0.4796595E-17 GRAD(Rho)y 0.3629956E-17 GRAD(Rho)z -0.1882957E-18 Laplacian 0.2123290E-01 (-1/4)Del**2(Rho)) -0.5308224E-02 Diamond 0.5512754E-03 Metallicity 0.5032912E+00 Ellipticity -0.6151652E+01 Gb(Abramov) 0.3984080E-02 Vb(Abramov) -0.2659936E-02 Hb(Abramov) 0.1324144E-02 Ex_ueg -0.6619483E-03 Ec_ueg -0.1546669E-03 Delta_ex -0.1091280E-02 Delta_ec 0.7192333E-03 Delta_et -0.3927347E-02 Pxc 0.4279832E+01 Qxc -0.1517283E+01 3,+1 74 3 -1 -1.688730 0.487041 1.729503 Rho 0.4483293E-01 |GRAD(Rho)| 0.2055526E-14 GRAD(Rho)x -0.1326109E-14 GRAD(Rho)y -0.5860280E-15 GRAD(Rho)z 0.1457117E-14 Laplacian 0.1769630E+00 (-1/4)Del**2(Rho)) -0.4424075E-01 Diamond 0.7666113E-01 Metallicity 0.2203227E+01 Ellipticity 0.1414789E-01 Gb(Abramov) 0.4573923E-01 Vb(Abramov) -0.4723772E-01 Hb(Abramov) -0.1498488E-02 Ex_ueg -0.1176291E-01 Ec_ueg -0.2131313E-02 Delta_ex -0.1413916E-01 Delta_ec 0.5216246E-02 Delta_et -0.5343501E-01 Pxc 0.5519087E+01 Qxc -0.2710601E+01 3,-1 75 3 +3 -1.158258 1.138620 -1.096306 Rho 0.4976989E-02 |GRAD(Rho)| 0.5768534E-15 GRAD(Rho)x 0.5768041E-15 GRAD(Rho)y -0.1609885E-17 GRAD(Rho)z -0.7369498E-17 Laplacian 0.2039868E-01 (-1/4)Del**2(Rho)) -0.5099669E-02 Diamond 0.1504176E-03 Metallicity 0.4901048E+00 Ellipticity -0.2382221E+00 Gb(Abramov) 0.3816342E-02 Vb(Abramov) -0.2533014E-02 Hb(Abramov) 0.1283328E-02 Ex_ueg -0.6275870E-03 Ec_ueg -0.1459227E-03 Delta_ex -0.7121399E-03 Delta_ec 0.1046442E-03 Delta_et -0.7850199E-03 Pxc 0.4300819E+01 Qxc -0.6805343E+01 3,+3 76 3 +3 0.959298 -1.116795 -1.224678 Rho 0.4200382E-02 |GRAD(Rho)| 0.5353054E-13 GRAD(Rho)x -0.3744324E-13 GRAD(Rho)y -0.7751167E-14 GRAD(Rho)z 0.3746254E-13 Laplacian 0.1731731E-01 (-1/4)Del**2(Rho)) -0.4329327E-02 Diamond 0.1349615E-03 Metallicity 0.4351251E+00 Ellipticity -0.4412937E+00 Gb(Abramov) 0.3200184E-02 Vb(Abramov) -0.2071042E-02 Hb(Abramov) 0.1129143E-02 Ex_ueg -0.5005377E-03 Ec_ueg -0.1126660E-03 Delta_ex -0.6166800E-03 Delta_ec 0.1592563E-03 Delta_et -0.9792212E-03 Pxc 0.4442670E+01 Qxc -0.3872249E+01 3,+3 77 3 +1 -1.056078 1.334907 2.148587 Rho 0.2442627E-01 |GRAD(Rho)| 0.4176157E-16 GRAD(Rho)x 0.2736179E-16 GRAD(Rho)y 0.1047647E-16 GRAD(Rho)z -0.2975911E-16 Laplacian 0.9604248E-01 (-1/4)Del**2(Rho)) -0.2401062E-01 Diamond 0.1192875E-01 Metallicity 0.1475407E+01 Ellipticity -0.3158008E+01 Gb(Abramov) 0.2191132E-01 Vb(Abramov) -0.1981202E-01 Hb(Abramov) 0.2099301E-02 Ex_ueg -0.5234333E-02 Ec_ueg -0.1059871E-02 Delta_ex -0.5909824E-02 Delta_ec 0.1582276E-02 Delta_et -0.1389959E-01 Pxc 0.4938649E+01 Qxc -0.3735015E+01 3,+1 78 3 -1 -1.956548 0.860587 3.027085 Rho 0.1479173E+00 |GRAD(Rho)| 0.4031873E-13 GRAD(Rho)x -0.2355189E-13 GRAD(Rho)y -0.2973349E-13 GRAD(Rho)z -0.1366852E-13 Laplacian 0.5847674E+00 (-1/4)Del**2(Rho)) -0.1461918E+00 Diamond 0.1168622E+01 Metallicity 0.4875231E+01 Ellipticity 0.4369346E-01 Gb(Abramov) 0.2162477E+00 Vb(Abramov) -0.2863036E+00 Hb(Abramov) -0.7005589E-01 Ex_ueg -0.5777552E-01 Ec_ueg -0.8310328E-02 Delta_ex -0.6261699E-01 Delta_ec 0.1494867E-01 Delta_et -0.1987425E+00 Pxc 0.6952255E+01 Qxc -0.4188801E+01 3,-1 79 3 +3 -0.114494 -2.388037 -0.072989 Rho 0.3952043E-02 |GRAD(Rho)| 0.6413210E-17 GRAD(Rho)x 0.5719166E-17 GRAD(Rho)y 0.2412350E-17 GRAD(Rho)z -0.1612751E-17 Laplacian 0.1630036E-01 (-1/4)Del**2(Rho)) -0.4075090E-02 Diamond 0.1155113E-03 Metallicity 0.4176239E+00 Ellipticity -0.2308344E+00 Gb(Abramov) 0.3000369E-02 Vb(Abramov) -0.1925649E-02 Hb(Abramov) 0.1074721E-02 Ex_ueg -0.4614740E-03 Ec_ueg -0.1020975E-03 Delta_ex -0.5697396E-03 Delta_ec 0.1466061E-03 Delta_et -0.8928734E-03 Pxc 0.4519935E+01 Qxc -0.3886194E+01 3,+3 80 3 +1 -0.655475 -1.680594 0.540204 Rho 0.8687422E-02 |GRAD(Rho)| 0.3756189E-14 GRAD(Rho)x 0.2824523E-14 GRAD(Rho)y -0.5096826E-15 GRAD(Rho)z 0.2423066E-14 Laplacian 0.3591899E-01 (-1/4)Del**2(Rho)) -0.8979747E-02 Diamond 0.1017052E-02 Metallicity 0.7043263E+00 Ellipticity -0.1432149E+01 Gb(Abramov) 0.7040610E-02 Vb(Abramov) -0.5101473E-02 Hb(Abramov) 0.1939137E-02 Ex_ueg -0.1318984E-02 Ec_ueg -0.3088933E-03 Delta_ex -0.1664008E-02 Delta_ec 0.5391475E-03 Delta_et -0.3667342E-02 Pxc 0.4270032E+01 Qxc -0.3086369E+01 3,+1 81 3 +1 0.512657 0.495778 1.682532 Rho 0.8434370E-02 |GRAD(Rho)| 0.9295621E-13 GRAD(Rho)x -0.2664654E-13 GRAD(Rho)y -0.5862588E-13 GRAD(Rho)z -0.6703600E-13 Laplacian 0.3525266E-01 (-1/4)Del**2(Rho)) -0.8813165E-02 Diamond 0.9804775E-03 Metallicity 0.6831389E+00 Ellipticity -0.1432929E+01 Gb(Abramov) 0.6878879E-02 Vb(Abramov) -0.4944594E-02 Hb(Abramov) 0.1934286E-02 Ex_ueg -0.1268008E-02 Ec_ueg -0.2975755E-03 Delta_ex -0.1631128E-02 Delta_ec 0.5470379E-03 Delta_et -0.3678660E-02 Pxc 0.4261130E+01 Qxc -0.2981746E+01 3,+1 82 3 -1 -0.582646 -1.818039 2.811762 Rho 0.1294651E+00 |GRAD(Rho)| 0.5661212E-14 GRAD(Rho)x 0.3546236E-14 GRAD(Rho)y -0.4323148E-14 GRAD(Rho)z -0.8854002E-15 Laplacian 0.5397276E+00 (-1/4)Del**2(Rho)) -0.1349319E+00 Diamond 0.9223601E+00 Metallicity 0.4230188E+01 Ellipticity 0.1219077E-01 Gb(Abramov) 0.1850858E+00 Vb(Abramov) -0.2352397E+00 Hb(Abramov) -0.5015391E-01 Ex_ueg -0.4837140E-01 Ec_ueg -0.7142249E-02 Delta_ex -0.5599307E-01 Delta_ec 0.1432149E-01 Delta_et -0.1866850E+00 Pxc 0.6772572E+01 Qxc -0.3909723E+01 3,-1 83 3 -1 -0.199483 -1.336230 -3.371105 Rho 0.5978115E-02 |GRAD(Rho)| 0.4423026E-15 GRAD(Rho)x -0.4102742E-15 GRAD(Rho)y 0.1450184E-15 GRAD(Rho)z 0.7922342E-16 Laplacian 0.2366169E-01 (-1/4)Del**2(Rho)) -0.5915422E-02 Diamond 0.1046807E-02 Metallicity 0.5734663E+00 Ellipticity 0.1010292E+00 Gb(Abramov) 0.4508997E-02 Vb(Abramov) -0.3102572E-02 Hb(Abramov) 0.1406425E-02 Ex_ueg -0.8013165E-03 Ec_ueg -0.1892449E-03 Delta_ex -0.1470795E-02 Delta_ec 0.1195963E-02 Delta_et -0.6674494E-02 Pxc 0.4234283E+01 Qxc -0.1229799E+01 3,-1 84 3 +3 -1.131869 -1.114602 1.159430 Rho 0.5168054E-02 |GRAD(Rho)| 0.7693679E-17 GRAD(Rho)x -0.6942600E-17 GRAD(Rho)y -0.3834942E-18 GRAD(Rho)z 0.3293317E-17 Laplacian 0.2138410E-01 (-1/4)Del**2(Rho)) -0.5346025E-02 Diamond 0.1647852E-03 Metallicity 0.4978142E+00 Ellipticity -0.1847003E+00 Gb(Abramov) 0.4007571E-02 Vb(Abramov) -0.2669117E-02 Hb(Abramov) 0.1338454E-02 Ex_ueg -0.6599147E-03 Ec_ueg -0.1541520E-03 Delta_ex -0.7532066E-03 Delta_ec 0.1077346E-03 Delta_et -0.8187464E-03 Pxc 0.4280935E+01 Qxc -0.6991315E+01 3,+3 85 3 +1 -0.318170 -1.104980 -2.566159 Rho 0.3818023E-02 |GRAD(Rho)| 0.1331534E-16 GRAD(Rho)x 0.1771464E-17 GRAD(Rho)y -0.1277686E-16 GRAD(Rho)z -0.3303349E-17 Laplacian 0.1521605E-01 (-1/4)Del**2(Rho)) -0.3804013E-02 Diamond 0.1658667E-03 Metallicity 0.4223854E+00 Ellipticity -0.1319623E+01 Gb(Abramov) 0.2803802E-02 Vb(Abramov) -0.1803591E-02 Hb(Abramov) 0.1000211E-02 Ex_ueg -0.4407272E-03 Ec_ueg -0.9640762E-04 Delta_ex -0.6109912E-03 Delta_ec 0.2864114E-03 Delta_et -0.1513672E-02 Pxc 0.4571498E+01 Qxc -0.2133264E+01 3,+1 86 3 -1 0.093742 -1.956701 -1.020664 Rho 0.7798026E-02 |GRAD(Rho)| 0.2372680E-16 GRAD(Rho)x 0.1778684E-16 GRAD(Rho)y -0.1518391E-16 GRAD(Rho)z -0.4004772E-17 Laplacian 0.3068944E-01 (-1/4)Del**2(Rho)) -0.7672359E-02 Diamond 0.1513614E-02 Metallicity 0.6885446E+00 Ellipticity 0.5526814E+00 Gb(Abramov) 0.5995366E-02 Vb(Abramov) -0.4318374E-02 Hb(Abramov) 0.1676993E-02 Ex_ueg -0.1142084E-02 Ec_ueg -0.2692417E-03 Delta_ex -0.1775920E-02 Delta_ec 0.1160424E-02 Delta_et -0.7125065E-02 Pxc 0.4241853E+01 Qxc -0.1530405E+01 3,-1 87 3 +3 1.084562 1.091688 1.087863 Rho 0.4625572E-02 |GRAD(Rho)| 0.7121075E-17 GRAD(Rho)x -0.2063168E-17 GRAD(Rho)y -0.7772247E-18 GRAD(Rho)z 0.6771187E-17 Laplacian 0.1896740E-01 (-1/4)Del**2(Rho)) -0.4741851E-02 Diamond 0.1318560E-03 Metallicity 0.4665315E+00 Ellipticity -0.2225383E+00 Gb(Abramov) 0.3529938E-02 Vb(Abramov) -0.2318024E-02 Hb(Abramov) 0.1211913E-02 Ex_ueg -0.5692097E-03 Ec_ueg -0.1308354E-03 Delta_ex -0.6545096E-03 Delta_ec 0.1070705E-03 Delta_et -0.7677760E-03 Pxc 0.4350579E+01 Qxc -0.6112886E+01 3,+3 88 3 +1 1.876576 -1.787849 -1.742354 Rho 0.1506536E-01 |GRAD(Rho)| 0.1700009E-14 GRAD(Rho)x 0.1355217E-14 GRAD(Rho)y 0.4373462E-15 GRAD(Rho)z 0.9285174E-15 Laplacian 0.7159999E-01 (-1/4)Del**2(Rho)) -0.1790000E-01 Diamond 0.4036479E-02 Metallicity 0.8844358E+00 Ellipticity -0.1432964E+01 Gb(Abramov) 0.1457190E-01 Vb(Abramov) -0.1124380E-01 Hb(Abramov) 0.3328099E-02 Ex_ueg -0.2748050E-02 Ec_ueg -0.6028637E-03 Delta_ex -0.3763581E-02 Delta_ec 0.9731426E-03 Delta_et -0.7680431E-02 Pxc 0.4558327E+01 Qxc -0.3867451E+01 3,+1 89 3 -1 0.236235 -1.168789 -1.875402 Rho 0.6045770E-02 |GRAD(Rho)| 0.1043738E-14 GRAD(Rho)x 0.1754013E-15 GRAD(Rho)y 0.8993128E-15 GRAD(Rho)z 0.4998598E-15 Laplacian 0.2455867E-01 (-1/4)Del**2(Rho)) -0.6139668E-02 Diamond 0.9113264E-03 Metallicity 0.5629817E+00 Ellipticity 0.6964906E+00 Gb(Abramov) 0.4669199E-02 Vb(Abramov) -0.3198730E-02 Hb(Abramov) 0.1470469E-02 Ex_ueg -0.8134307E-03 Ec_ueg -0.1921905E-03 Delta_ex -0.1391195E-02 Delta_ec 0.9945922E-03 Delta_et -0.5630706E-02 Pxc 0.4232419E+01 Qxc -0.1398760E+01 3,-1 90 3 -1 0.021207 -3.264052 -1.234895 Rho 0.3926202E-01 |GRAD(Rho)| 0.1880663E-16 GRAD(Rho)x 0.1344480E-16 GRAD(Rho)y 0.1234206E-16 GRAD(Rho)z 0.4538772E-17 Laplacian 0.1139968E+00 (-1/4)Del**2(Rho)) -0.2849921E-01 Diamond 0.6647193E-01 Metallicity 0.2741626E+01 Ellipticity 0.3893891E-02 Gb(Abramov) 0.3202183E-01 Vb(Abramov) -0.3554446E-01 Hb(Abramov) -0.3522624E-02 Ex_ueg -0.9855575E-02 Ec_ueg -0.1830539E-02 Delta_ex -0.1031370E-01 Delta_ec 0.6044389E-02 Delta_et -0.6004022E-01 Pxc 0.5383975E+01 Qxc -0.1706327E+01 3,-1 91 3 +1 0.026544 -2.954786 0.105185 Rho 0.4541361E-02 |GRAD(Rho)| 0.1761099E-17 GRAD(Rho)x -0.1612751E-17 GRAD(Rho)y -0.6776264E-18 GRAD(Rho)z -0.2032879E-18 Laplacian 0.1864753E-01 (-1/4)Del**2(Rho)) -0.4661883E-02 Diamond 0.3519842E-03 Metallicity 0.4602232E+00 Ellipticity -0.1939308E+01 Gb(Abramov) 0.3465506E-02 Vb(Abramov) -0.2269130E-02 Hb(Abramov) 0.1196376E-02 Ex_ueg -0.5554348E-03 Ec_ueg -0.1272294E-03 Delta_ex -0.8783976E-03 Delta_ec 0.5303979E-03 Delta_et -0.2821570E-02 Pxc 0.4365617E+01 Qxc -0.1656111E+01 3,+1 92 3 -1 -0.070490 -3.224450 3.202566 Rho 0.2455724E+00 |GRAD(Rho)| 0.1348627E-10 GRAD(Rho)x -0.2254018E-11 GRAD(Rho)y -0.9328188E-11 GRAD(Rho)z 0.9475434E-11 Laplacian 0.8932674E+00 (-1/4)Del**2(Rho)) -0.2233169E+00 Diamond 0.3241748E+01 Metallicity 0.7429010E+01 Ellipticity 0.1441463E-02 Gb(Abramov) 0.4253818E+00 Vb(Abramov) -0.6274467E+00 Hb(Abramov) -0.2020649E+00 Ex_ueg -0.1135772E+00 Ec_ueg -0.1482517E-01 Delta_ex -0.1085437E+00 Delta_ec 0.1954325E-01 Delta_et -0.2706493E+00 Pxc 0.7661107E+01 Qxc -0.5554027E+01 3,-1 93 3 -1 -0.622133 -2.782724 1.849679 Rho 0.1551259E+00 |GRAD(Rho)| 0.1680347E-13 GRAD(Rho)x 0.2191308E-14 GRAD(Rho)y -0.1308396E-13 GRAD(Rho)z -0.1031334E-13 Laplacian 0.6561840E+00 (-1/4)Del**2(Rho)) -0.1640460E+00 Diamond 0.1383072E+01 Metallicity 0.4703216E+01 Ellipticity 0.2395366E-01 Gb(Abramov) 0.2379546E+00 Vb(Abramov) -0.3118632E+00 Hb(Abramov) -0.7390862E-01 Ex_ueg -0.6155986E-01 Ec_ueg -0.8772451E-02 Delta_ex -0.7103996E-01 Delta_ec 0.1648520E-01 Delta_et -0.2203975E+00 Pxc 0.7017407E+01 Qxc -0.4309318E+01 3,-1 94 3 -1 0.822532 -2.993475 1.988150 Rho 0.1583025E+00 |GRAD(Rho)| 0.7879917E-16 GRAD(Rho)x 0.4285309E-16 GRAD(Rho)y -0.6551292E-16 GRAD(Rho)z -0.8998878E-17 Laplacian 0.6290090E+00 (-1/4)Del**2(Rho)) -0.1572523E+00 Diamond 0.1357791E+01 Metallicity 0.5074998E+01 Ellipticity 0.5456375E-01 Gb(Abramov) 0.2378440E+00 Vb(Abramov) -0.3184357E+00 Hb(Abramov) -0.8059172E-01 Ex_ueg -0.6324634E-01 Ec_ueg -0.8977094E-02 Delta_ex -0.6843392E-01 Delta_ec 0.1571085E-01 Delta_et -0.2105757E+00 Pxc 0.7045302E+01 Qxc -0.4355838E+01 3,-1 95 3 +1 0.366277 -1.756435 -0.682802 Rho 0.7176197E-02 |GRAD(Rho)| 0.4920540E-15 GRAD(Rho)x -0.3707531E-15 GRAD(Rho)y -0.2050463E-15 GRAD(Rho)z 0.2502305E-15 Laplacian 0.2958123E-01 (-1/4)Del**2(Rho)) -0.7395308E-02 Diamond 0.8395808E-03 Metallicity 0.6219482E+00 Ellipticity -0.1739975E+01 Gb(Abramov) 0.5696788E-02 Vb(Abramov) -0.3998269E-02 Hb(Abramov) 0.1698519E-02 Ex_ueg -0.1022298E-02 Ec_ueg -0.2417329E-03 Delta_ex -0.1418005E-02 Delta_ec 0.6423712E-03 Delta_et -0.3997035E-02 Pxc 0.4229040E+01 Qxc -0.2207454E+01 3,+1 96 3 +1 1.667080 -0.546006 -0.556429 Rho 0.7908840E-02 |GRAD(Rho)| 0.2606899E-16 GRAD(Rho)x -0.1728196E-16 GRAD(Rho)y 0.1929317E-16 GRAD(Rho)z -0.2949573E-17 Laplacian 0.3247931E-01 (-1/4)Del**2(Rho)) -0.8119828E-02 Diamond 0.8240172E-03 Metallicity 0.6660820E+00 Ellipticity -0.1421188E+01 Gb(Abramov) 0.6314631E-02 Vb(Abramov) -0.4509433E-02 Hb(Abramov) 0.1805197E-02 Ex_ueg -0.1163774E-02 Ec_ueg -0.2741626E-03 Delta_ex -0.1477231E-02 Delta_ec 0.5007247E-03 Delta_et -0.3312936E-02 Pxc 0.4244833E+01 Qxc -0.2950186E+01 3,+1 97 3 -1 0.443071 -1.724453 1.675694 Rho 0.4170320E-01 |GRAD(Rho)| 0.2441068E-15 GRAD(Rho)x 0.1805977E-15 GRAD(Rho)y 0.1517438E-15 GRAD(Rho)z 0.6282062E-16 Laplacian 0.1642231E+00 (-1/4)Del**2(Rho)) -0.4105578E-01 Diamond 0.6426764E-01 Metallicity 0.2104398E+01 Ellipticity 0.1750308E-01 Gb(Abramov) 0.4177014E-01 Vb(Abramov) -0.4248449E-01 Hb(Abramov) -0.7143550E-03 Ex_ueg -0.1068098E-01 Ec_ueg -0.1961670E-02 Delta_ex -0.1287488E-01 Delta_ec 0.4822846E-02 Delta_et -0.4846015E-01 Pxc 0.5444837E+01 Qxc -0.2669562E+01 3,-1 98 3 +1 -0.218186 -2.231084 -1.064653 Rho 0.7346082E-02 |GRAD(Rho)| 0.1276747E-14 GRAD(Rho)x -0.4588200E-15 GRAD(Rho)y -0.1172666E-14 GRAD(Rho)z -0.2107621E-15 Laplacian 0.2964482E-01 (-1/4)Del**2(Rho)) -0.7411205E-02 Diamond 0.9113887E-03 Metallicity 0.6452935E+00 Ellipticity -0.1924211E+01 Gb(Abramov) 0.5737870E-02 Vb(Abramov) -0.4064536E-02 Hb(Abramov) 0.1673335E-02 Ex_ueg -0.1054693E-02 Ec_ueg -0.2492306E-03 Delta_ex -0.1452496E-02 Delta_ec 0.6863806E-03 Delta_et -0.4275877E-02 Pxc 0.4231796E+01 Qxc -0.2116167E+01 3,+1 99 3 -1 0.804579 -1.985647 2.996525 Rho 0.1401565E+00 |GRAD(Rho)| 0.3413242E-09 GRAD(Rho)x 0.2371542E-09 GRAD(Rho)y 0.1947314E-09 GRAD(Rho)z 0.1494650E-09 Laplacian 0.5601827E+00 (-1/4)Del**2(Rho)) -0.1400457E+00 Diamond 0.1049368E+01 Metallicity 0.4651989E+01 Ellipticity 0.2999442E-01 Gb(Abramov) 0.2019456E+00 Vb(Abramov) -0.2638455E+00 Hb(Abramov) -0.6189993E-01 Ex_ueg -0.5376949E-01 Ec_ueg -0.7816395E-02 Delta_ex -0.5920055E-01 Delta_ec 0.1451164E-01 Delta_et -0.1914122E+00 Pxc 0.6879065E+01 Qxc -0.4079521E+01 3,-1 100 3 -1 1.933120 -0.857591 3.003116 Rho 0.1449691E+00 |GRAD(Rho)| 0.2951735E-15 GRAD(Rho)x 0.2803747E-15 GRAD(Rho)y 0.8235871E-16 GRAD(Rho)z -0.4164692E-16 Laplacian 0.5766550E+00 (-1/4)Del**2(Rho)) -0.1441637E+00 Diamond 0.1127016E+01 Metallicity 0.4780676E+01 Ellipticity 0.3188754E-01 Gb(Abramov) 0.2109758E+00 Vb(Abramov) -0.2777879E+00 Hb(Abramov) -0.6681210E-01 Ex_ueg -0.5624520E-01 Ec_ueg -0.8122242E-02 Delta_ex -0.6146701E-01 Delta_ec 0.1485439E-01 Delta_et -0.1970036E+00 Pxc 0.6924836E+01 Qxc -0.4137970E+01 3,-1 101 3 +3 2.295158 -0.012460 0.020895 Rho 0.4138623E-02 |GRAD(Rho)| 0.5235258E-17 GRAD(Rho)x -0.4961567E-17 GRAD(Rho)y 0.1247882E-17 GRAD(Rho)z 0.1110663E-17 Laplacian 0.1707856E-01 (-1/4)Del**2(Rho)) -0.4269639E-02 Diamond 0.1275064E-03 Metallicity 0.4304491E+00 Ellipticity -0.3211330E+00 Gb(Abramov) 0.3152736E-02 Vb(Abramov) -0.2035834E-02 Hb(Abramov) 0.1116903E-02 Ex_ueg -0.4907491E-03 Ec_ueg -0.1100347E-03 Delta_ex -0.6023761E-03 Delta_ec 0.1507714E-03 Delta_et -0.9325850E-03 Pxc 0.4459950E+01 Qxc -0.3995295E+01 3,+3 102 3 +1 1.188220 -1.140713 2.115540 Rho 0.2367022E-01 |GRAD(Rho)| 0.2704509E-16 GRAD(Rho)x -0.7066465E-17 GRAD(Rho)y -0.9845742E-17 GRAD(Rho)z 0.2417774E-16 Laplacian 0.9136727E-01 (-1/4)Del**2(Rho)) -0.2284182E-01 Diamond 0.1136786E-01 Metallicity 0.1471724E+01 Ellipticity -0.4113235E+01 Gb(Abramov) 0.2083069E-01 Vb(Abramov) -0.1881956E-01 Hb(Abramov) 0.2011129E-02 Ex_ueg -0.5019436E-02 Ec_ueg -0.1021998E-02 Delta_ex -0.5633515E-02 Delta_ec 0.1609664E-02 Delta_et -0.1400336E-01 Pxc 0.4911396E+01 Qxc -0.3499807E+01 3,+1 103 3 +1 -0.166938 -0.359870 -2.982175 Rho 0.3296092E-02 |GRAD(Rho)| 0.6499529E-17 GRAD(Rho)x 0.5280764E-17 GRAD(Rho)y -0.3766934E-17 GRAD(Rho)z 0.4094048E-18 Laplacian 0.1285898E-01 (-1/4)Del**2(Rho)) -0.3214744E-02 Diamond 0.1595607E-03 Metallicity 0.3912061E+00 Ellipticity -0.1757774E+01 Gb(Abramov) 0.2352767E-02 Vb(Abramov) -0.1490791E-02 Hb(Abramov) 0.8619768E-03 Ex_ueg -0.3622854E-03 Ec_ueg -0.7434016E-04 Delta_ex -0.5723285E-03 Delta_ec 0.3707610E-03 Delta_et -0.1789898E-02 Pxc 0.4873347E+01 Qxc -0.1543659E+01 3,+1 104 3 +1 0.472083 -0.745219 -1.757101 Rho 0.5526951E-02 |GRAD(Rho)| 0.5175623E-15 GRAD(Rho)x 0.7433930E-16 GRAD(Rho)y 0.4151424E-15 GRAD(Rho)z 0.3000019E-15 Laplacian 0.2282987E-01 (-1/4)Del**2(Rho)) -0.5707469E-02 Diamond 0.4856451E-03 Metallicity 0.5214976E+00 Ellipticity -0.1670607E+01 Gb(Abramov) 0.4301051E-02 Vb(Abramov) -0.2894633E-02 Hb(Abramov) 0.1406418E-02 Ex_ueg -0.7217152E-03 Ec_ueg -0.1696597E-03 Delta_ex -0.1057035E-02 Delta_ec 0.5396950E-03 Delta_et -0.3091996E-02 Pxc 0.4253900E+01 Qxc -0.1958578E+01 3,+1 105 3 -1 1.639034 -0.535145 1.682764 Rho 0.3557410E-01 |GRAD(Rho)| 0.6339848E-16 GRAD(Rho)x -0.5736912E-16 GRAD(Rho)y -0.2473813E-17 GRAD(Rho)z -0.2687064E-16 Laplacian 0.1369762E+00 (-1/4)Del**2(Rho)) -0.3424405E-01 Diamond 0.4237716E-01 Metallicity 0.1935789E+01 Ellipticity 0.4540676E-01 Gb(Abramov) 0.3387758E-01 Vb(Abramov) -0.3351110E-01 Hb(Abramov) 0.3664741E-03 Ex_ueg -0.8640994E-02 Ec_ueg -0.1634550E-02 Delta_ex -0.1026928E-01 Delta_ec 0.3929095E-02 Delta_et -0.3781802E-01 Pxc 0.5286465E+01 Qxc -0.2613651E+01 3,-1 106 3 +1 1.661555 0.503721 0.567518 Rho 0.7694111E-02 |GRAD(Rho)| 0.2888497E-15 GRAD(Rho)x 0.1332840E-15 GRAD(Rho)y 0.2390292E-15 GRAD(Rho)z -0.9238297E-16 Laplacian 0.3154903E-01 (-1/4)Del**2(Rho)) -0.7887258E-02 Diamond 0.7691225E-03 Metallicity 0.6549747E+00 Ellipticity -0.1410331E+01 Gb(Abramov) 0.6119165E-02 Vb(Abramov) -0.4351071E-02 Hb(Abramov) 0.1768094E-02 Ex_ueg -0.1121837E-02 Ec_ueg -0.2646322E-03 Delta_ex -0.1424218E-02 Delta_ec 0.4846130E-03 Delta_et -0.3184430E-02 Pxc 0.4239229E+01 Qxc -0.2938876E+01 3,+1 107 3 +3 -0.068539 -0.277126 -2.512385 Rho 0.3146851E-02 |GRAD(Rho)| 0.2373456E-17 GRAD(Rho)x 0.1397651E-17 GRAD(Rho)y -0.1889320E-17 GRAD(Rho)z -0.3321639E-18 Laplacian 0.1253840E-01 (-1/4)Del**2(Rho)) -0.3134599E-02 Diamond 0.9677164E-04 Metallicity 0.3713911E+00 Ellipticity -0.8061473E+00 Gb(Abramov) 0.2283760E-02 Vb(Abramov) -0.1432921E-02 Hb(Abramov) 0.8508394E-03 Ex_ueg -0.3405807E-03 Ec_ueg -0.6805725E-04 Delta_ex -0.4681634E-03 Delta_ec 0.2095651E-03 Delta_et -0.1066583E-02 Pxc 0.5004326E+01 Qxc -0.2233976E+01 3,+3 108 3 -1 1.925786 -2.986633 0.801702 Rho 0.1212474E+00 |GRAD(Rho)| 0.3583977E-13 GRAD(Rho)x 0.1244271E-14 GRAD(Rho)y -0.8044204E-14 GRAD(Rho)z -0.3490318E-13 Laplacian 0.4783699E+00 (-1/4)Del**2(Rho)) -0.1195925E+00 Diamond 0.7588911E+00 Metallicity 0.4278617E+01 Ellipticity 0.1397995E-01 Gb(Abramov) 0.1650101E+00 Vb(Abramov) -0.2104276E+00 Hb(Abramov) -0.4541758E-01 Ex_ueg -0.4432156E-01 Ec_ueg -0.6629231E-02 Delta_ex -0.4889891E-01 Delta_ec 0.1297004E-01 Delta_et -0.1673288E+00 Pxc 0.6685777E+01 Qxc -0.3770145E+01 3,-1 109 3 -1 2.762311 -1.814392 -0.619777 Rho 0.1537435E+00 |GRAD(Rho)| 0.4790677E-15 GRAD(Rho)x -0.8760354E-16 GRAD(Rho)y -0.4709774E-15 GRAD(Rho)z 0.3428789E-17 Laplacian 0.6316906E+00 (-1/4)Del**2(Rho)) -0.1579227E+00 Diamond 0.1319767E+01 Metallicity 0.4813232E+01 Ellipticity 0.1702734E-01 Gb(Abramov) 0.2319682E+00 Vb(Abramov) -0.3060137E+00 Hb(Abramov) -0.7404551E-01 Ex_ueg -0.6082949E-01 Ec_ueg -0.8683583E-02 Delta_ex -0.6826197E-01 Delta_ec 0.1594955E-01 Delta_et -0.2130867E+00 Pxc 0.7005114E+01 Qxc -0.4279868E+01 3,-1 110 3 -1 2.894090 -1.993312 0.797796 Rho 0.1057993E+00 |GRAD(Rho)| 0.2603318E-15 GRAD(Rho)x 0.6714261E-16 GRAD(Rho)y 0.1923442E-15 GRAD(Rho)z 0.1620747E-15 Laplacian 0.4247726E+00 (-1/4)Del**2(Rho)) -0.1061932E+00 Diamond 0.5649122E+00 Metallicity 0.3839384E+01 Ellipticity 0.2405431E-02 Gb(Abramov) 0.1387482E+00 Vb(Abramov) -0.1713032E+00 Hb(Abramov) -0.3255500E-01 Ex_ueg -0.3695691E-01 Ec_ueg -0.5677675E-02 Delta_ex -0.4193563E-01 Delta_ec 0.1168170E-01 Delta_et -0.1466937E+00 Pxc 0.6509163E+01 Qxc -0.3589856E+01 3,-1 111 3 +3 1.773057 -1.838556 1.830888 Rho 0.1221028E-01 |GRAD(Rho)| 0.1368409E-15 GRAD(Rho)x -0.6989770E-16 GRAD(Rho)y 0.8435186E-16 GRAD(Rho)z -0.8200317E-16 Laplacian 0.5553593E-01 (-1/4)Del**2(Rho)) -0.1388398E-01 Diamond 0.1203902E-02 Metallicity 0.8033687E+00 Ellipticity -0.5691407E+00 Gb(Abramov) 0.1111498E-01 Vb(Abramov) -0.8345979E-02 Hb(Abramov) 0.2769001E-02 Ex_ueg -0.2076598E-02 Ec_ueg -0.4692847E-03 Delta_ex -0.2438818E-02 Delta_ec 0.1788707E-03 Delta_et -0.1759546E-02 Pxc 0.4425027E+01 Qxc -0.1363453E+02 3,+3 112 3 +1 1.955446 -2.020055 2.027602 Rho 0.1263978E-01 |GRAD(Rho)| 0.1012781E-15 GRAD(Rho)x -0.5742761E-16 GRAD(Rho)y 0.7192807E-16 GRAD(Rho)z -0.4225718E-16 Laplacian 0.5931446E-01 (-1/4)Del**2(Rho)) -0.1482861E-01 Diamond 0.2163473E-02 Metallicity 0.7968046E+00 Ellipticity -0.1193901E+01 Gb(Abramov) 0.1185499E-01 Vb(Abramov) -0.8881375E-02 Hb(Abramov) 0.2973620E-02 Ex_ueg -0.2174559E-02 Ec_ueg -0.4891835E-03 Delta_ex -0.2851029E-02 Delta_ec 0.5827154E-03 Delta_et -0.4564862E-02 Pxc 0.4445282E+01 Qxc -0.4892662E+01 3,+1 113 3 +1 1.753481 1.773227 1.750010 Rho 0.1227421E-01 |GRAD(Rho)| 0.9794752E-12 GRAD(Rho)x 0.7965590E-12 GRAD(Rho)y 0.1317223E-12 GRAD(Rho)z -0.5545399E-12 Laplacian 0.6153122E-01 (-1/4)Del**2(Rho)) -0.1538281E-01 Diamond 0.2525559E-02 Metallicity 0.7314313E+00 Ellipticity -0.1252741E+01 Gb(Abramov) 0.1213045E-01 Vb(Abramov) -0.8878090E-02 Hb(Abramov) 0.3252358E-02 Ex_ueg -0.2091108E-02 Ec_ueg -0.4722422E-03 Delta_ex -0.3037687E-02 Delta_ec 0.7898571E-03 Delta_et -0.5962089E-02 Pxc 0.4428041E+01 Qxc -0.3845870E+01 3,+1 114 3 +1 2.048951 -1.313475 1.064343 Rho 0.2432809E-01 |GRAD(Rho)| 0.1661812E-16 GRAD(Rho)x -0.5012456E-17 GRAD(Rho)y -0.8094177E-17 GRAD(Rho)z -0.1362063E-16 Laplacian 0.9609145E-01 (-1/4)Del**2(Rho)) -0.2402286E-01 Diamond 0.1276584E-01 Metallicity 0.1464789E+01 Ellipticity -0.4620549E+01 Gb(Abramov) 0.2187998E-01 Vb(Abramov) -0.1973710E-01 Hb(Abramov) 0.2142883E-02 Ex_ueg -0.5206298E-02 Ec_ueg -0.1054944E-02 Delta_ex -0.6007487E-02 Delta_ec 0.1763455E-02 Delta_et -0.1542941E-01 Pxc 0.4935141E+01 Qxc -0.3406657E+01 3,+1 115 3 -1 3.232398 -0.025709 -3.236402 Rho 0.2335112E+00 |GRAD(Rho)| 0.5600624E-14 GRAD(Rho)x 0.4989553E-14 GRAD(Rho)y 0.2327958E-14 GRAD(Rho)z -0.1025655E-14 Laplacian 0.8239686E+00 (-1/4)Del**2(Rho)) -0.2059921E+00 Diamond 0.2843414E+01 Metallicity 0.7405401E+01 Ellipticity 0.1465179E-02 Gb(Abramov) 0.3915705E+00 Vb(Abramov) -0.5771489E+00 Hb(Abramov) -0.1855784E+00 Ex_ueg -0.1062010E+00 Ec_ueg -0.1399171E-01 Delta_ex -0.9897471E-01 Delta_ec 0.1858464E-01 Delta_et -0.2581656E+00 Pxc 0.7590279E+01 Qxc -0.5325618E+01 3,-1 116 3 +1 2.964759 0.071539 -0.052304 Rho 0.5084647E-02 |GRAD(Rho)| 0.5434174E-16 GRAD(Rho)x -0.6818301E-18 GRAD(Rho)y 0.5309721E-16 GRAD(Rho)z -0.1154324E-16 Laplacian 0.2080488E-01 (-1/4)Del**2(Rho)) -0.5201221E-02 Diamond 0.5424918E-03 Metallicity 0.4979846E+00 Ellipticity -0.7662429E+01 Gb(Abramov) 0.3899169E-02 Vb(Abramov) -0.2597116E-02 Hb(Abramov) 0.1302052E-02 Ex_ueg -0.6457526E-03 Ec_ueg -0.1505573E-03 Delta_ex -0.1079750E-02 Delta_ec 0.7301029E-03 Delta_et -0.3954854E-02 Pxc 0.4289081E+01 Qxc -0.1478901E+01 3,+1 117 3 -1 3.167245 0.020408 3.215648 Rho 0.2450834E+00 |GRAD(Rho)| 0.5877724E-15 GRAD(Rho)x 0.4109126E-15 GRAD(Rho)y 0.1352813E-15 GRAD(Rho)z 0.3979022E-15 Laplacian 0.8824997E+00 (-1/4)Del**2(Rho)) -0.2206249E+00 Diamond 0.3204215E+01 Metallicity 0.7494715E+01 Ellipticity 0.6068014E-02 Gb(Abramov) 0.4226701E+00 Vb(Abramov) -0.6247153E+00 Hb(Abramov) -0.2020452E+00 Ex_ueg -0.1132757E+00 Ec_ueg -0.1479122E-01 Delta_ex -0.1072271E+00 Delta_ec 0.1940443E-01 Delta_et -0.2691000E+00 Pxc 0.7658309E+01 Qxc -0.5525906E+01 3,-1 118 3 -1 2.772808 0.551048 1.826923 Rho 0.1350270E+00 |GRAD(Rho)| 0.1058215E-15 GRAD(Rho)x -0.2860938E-16 GRAD(Rho)y 0.6549936E-16 GRAD(Rho)z -0.7803545E-16 Laplacian 0.5680436E+00 (-1/4)Del**2(Rho)) -0.1420109E+00 Diamond 0.1022694E+01 Metallicity 0.4311209E+01 Ellipticity 0.1210838E-01 Gb(Abramov) 0.1967137E+00 Vb(Abramov) -0.2514165E+00 Hb(Abramov) -0.5470280E-01 Ex_ueg -0.5116179E-01 Ec_ueg -0.7492028E-02 Delta_ex -0.5955011E-01 Delta_ec 0.1495529E-01 Delta_et -0.1963415E+00 Pxc 0.6828831E+01 Qxc -0.3981876E+01 3,-1 119 3 -1 -1.766650 -1.657849 -0.484419 Rho 0.4614923E-01 |GRAD(Rho)| 0.7114806E-09 GRAD(Rho)x 0.4702503E-09 GRAD(Rho)y 0.4852642E-09 GRAD(Rho)z -0.2226833E-09 Laplacian 0.1814165E+00 (-1/4)Del**2(Rho)) -0.4535413E-01 Diamond 0.8226171E-01 Metallicity 0.2255332E+01 Ellipticity 0.1746426E-01 Gb(Abramov) 0.4728419E-01 Vb(Abramov) -0.4921425E-01 Hb(Abramov) -0.1930058E-02 Ex_ueg -0.1222562E-01 Ec_ueg -0.2203150E-02 Delta_ex -0.1462532E-01 Delta_ec 0.5390697E-02 Delta_et -0.5565549E-01 Pxc 0.5549157E+01 Qxc -0.2713067E+01 3,-1 120 3 +1 -1.767012 1.770242 -1.724302 Rho 0.1144303E-01 |GRAD(Rho)| 0.1527935E-14 GRAD(Rho)x -0.5735766E-15 GRAD(Rho)y -0.1226489E-14 GRAD(Rho)z -0.7080397E-15 Laplacian 0.5563633E-01 (-1/4)Del**2(Rho)) -0.1390908E-01 Diamond 0.2109094E-02 Metallicity 0.7197083E+00 Ellipticity -0.1283018E+01 Gb(Abramov) 0.1094114E-01 Vb(Abramov) -0.7973188E-02 Hb(Abramov) 0.2967947E-02 Ex_ueg -0.1904466E-02 Ec_ueg -0.4339188E-03 Delta_ex -0.2707031E-02 Delta_ec 0.7333485E-03 Delta_et -0.5426389E-02 Pxc 0.4388991E+01 Qxc -0.3691330E+01 3,+1 121 3 +1 -0.162004 2.982742 0.179280 Rho 0.5208364E-02 |GRAD(Rho)| 0.1588841E-16 GRAD(Rho)x -0.2022622E-17 GRAD(Rho)y -0.1382570E-17 GRAD(Rho)z 0.1569837E-16 Laplacian 0.2159980E-01 (-1/4)Del**2(Rho)) -0.5399949E-02 Diamond 0.5130042E-03 Metallicity 0.4992665E+00 Ellipticity -0.2421478E+01 Gb(Abramov) 0.4049301E-02 Vb(Abramov) -0.2698654E-02 Hb(Abramov) 0.1350647E-02 Ex_ueg -0.6667865E-03 Ec_ueg -0.1558905E-03 Delta_ex -0.1065620E-02 Delta_ec 0.6501315E-03 Delta_et -0.3586383E-02 Pxc 0.4277274E+01 Qxc -0.1639083E+01 3,+1 122 3 +3 -1.848916 1.865242 1.870899 Rho 0.1190287E-01 |GRAD(Rho)| 0.1667988E-16 GRAD(Rho)x -0.1425476E-16 GRAD(Rho)y -0.7112863E-17 GRAD(Rho)z -0.4942421E-17 Laplacian 0.5403907E-01 (-1/4)Del**2(Rho)) -0.1350977E-01 Diamond 0.1150936E-02 Metallicity 0.7912703E+00 Ellipticity -0.6516098E+00 Gb(Abramov) 0.1078816E-01 Vb(Abramov) -0.8066549E-02 Hb(Abramov) 0.2721609E-02 Ex_ueg -0.2007185E-02 Ec_ueg -0.4550871E-03 Delta_ex -0.2361245E-02 Delta_ec 0.1848591E-03 Delta_et -0.1782060E-02 Pxc 0.4410551E+01 Qxc -0.1277322E+02 3,+3 123 3 -1 -1.753644 1.656085 0.503685 Rho 0.3694091E-01 |GRAD(Rho)| 0.5078372E-16 GRAD(Rho)x 0.2970470E-16 GRAD(Rho)y -0.3508199E-16 GRAD(Rho)z 0.2158404E-16 Laplacian 0.1498110E+00 (-1/4)Del**2(Rho)) -0.3745276E-01 Diamond 0.5140201E-01 Metallicity 0.1884728E+01 Ellipticity 0.7717996E-02 Gb(Abramov) 0.3673322E-01 Vb(Abramov) -0.3601368E-01 Hb(Abramov) 0.7195421E-03 Ex_ueg -0.9086470E-02 Ec_ueg -0.1706880E-02 Delta_ex -0.1150574E-01 Delta_ec 0.4597493E-02 Delta_et -0.4472471E-01 Pxc 0.5323439E+01 Qxc -0.2502612E+01 3,-1 124 3 +1 -1.791994 -1.723850 1.813023 Rho 0.1258103E-01 |GRAD(Rho)| 0.2079957E-16 GRAD(Rho)x 0.1459671E-16 GRAD(Rho)y -0.1464986E-16 GRAD(Rho)z 0.2222562E-17 Laplacian 0.6327980E-01 (-1/4)Del**2(Rho)) -0.1581995E-01 Diamond 0.2669780E-02 Metallicity 0.7410969E+00 Ellipticity -0.1250994E+01 Gb(Abramov) 0.1250065E-01 Vb(Abramov) -0.9181355E-02 Hb(Abramov) 0.3319297E-02 Ex_ueg -0.2161092E-02 Ec_ueg -0.4864573E-03 Delta_ex -0.3139882E-02 Delta_ec 0.8040358E-03 Delta_et -0.6111871E-02 Pxc 0.4442511E+01 Qxc -0.3905152E+01 3,+1 125 3 +3 -0.002947 -0.026817 2.348844 Rho 0.4460540E-02 |GRAD(Rho)| 0.2093533E-17 GRAD(Rho)x -0.1280025E-17 GRAD(Rho)y -0.2301688E-18 GRAD(Rho)z 0.1640561E-17 Laplacian 0.1849110E-01 (-1/4)Del**2(Rho)) -0.4622774E-02 Diamond 0.1590109E-03 Metallicity 0.4504324E+00 Ellipticity -0.2810552E+00 Gb(Abramov) 0.3428891E-02 Vb(Abramov) -0.2235007E-02 Hb(Abramov) 0.1193884E-02 Ex_ueg -0.5422943E-03 Ec_ueg -0.1237720E-03 Delta_ex -0.6715002E-03 Delta_ec 0.1751917E-03 Delta_et -0.1085722E-02 Pxc 0.4381396E+01 Qxc -0.3832946E+01 3,+3 126 3 -1 0.431318 1.677139 -1.649107 Rho 0.4064335E-01 |GRAD(Rho)| 0.1945528E-15 GRAD(Rho)x -0.7306083E-16 GRAD(Rho)y 0.1470718E-15 GRAD(Rho)z -0.1043206E-15 Laplacian 0.1653728E+00 (-1/4)Del**2(Rho)) -0.4134320E-01 Diamond 0.6501309E-01 Metallicity 0.2002004E+01 Ellipticity 0.1661984E-01 Gb(Abramov) 0.4135701E-01 Vb(Abramov) -0.4137082E-01 Hb(Abramov) -0.1380894E-04 Ex_ueg -0.1032059E-01 Ec_ueg -0.1904607E-02 Delta_ex -0.1302545E-01 Delta_ec 0.5113276E-02 Delta_et -0.5105841E-01 Pxc 0.5418749E+01 Qxc -0.2547378E+01 3,-1 127 3 -1 0.281170 -0.396892 0.345637 Rho 0.1970398E+00 |GRAD(Rho)| 0.1094171E-15 GRAD(Rho)x -0.1031337E-15 GRAD(Rho)y -0.2907918E-16 GRAD(Rho)z 0.2213489E-16 Laplacian 0.6631785E+00 (-1/4)Del**2(Rho)) -0.1657946E+00 Diamond 0.2076793E+01 Metallicity 0.6932754E+01 Ellipticity 0.2739342E-02 Gb(Abramov) 0.3020987E+00 Vb(Abramov) -0.4384027E+00 Hb(Abramov) -0.1363040E+00 Ex_ueg -0.8468182E-01 Ec_ueg -0.1152016E-01 Delta_ex -0.7771655E-01 Delta_ec 0.1829588E-01 Delta_et -0.2600639E+00 Pxc 0.7350750E+01 Qxc -0.4247762E+01 3,-1 128 3 -1 -0.465902 -0.369930 -0.374953 Rho 0.2055999E+00 |GRAD(Rho)| 0.1849729E-15 GRAD(Rho)x -0.6144265E-16 GRAD(Rho)y -0.1294544E-15 GRAD(Rho)z -0.1169672E-15 Laplacian 0.7505833E+00 (-1/4)Del**2(Rho)) -0.1876458E+00 Diamond 0.2431791E+01 Metallicity 0.6575353E+01 Ellipticity 0.3355487E-01 Gb(Abramov) 0.3307368E+00 Vb(Abramov) -0.4738278E+00 Hb(Abramov) -0.1430910E+00 Ex_ueg -0.8962219E-01 Ec_ueg -0.1209364E-01 Delta_ex -0.8861737E-01 Delta_ec 0.1999510E-01 Delta_et -0.2842886E+00 Pxc 0.7410690E+01 Qxc -0.4431954E+01 3,-1 129 3 +3 -0.048372 2.329280 0.056780 Rho 0.4329111E-02 |GRAD(Rho)| 0.6920134E-17 GRAD(Rho)x 0.1662665E-17 GRAD(Rho)y -0.6585004E-17 GRAD(Rho)z 0.1327228E-17 Laplacian 0.1792668E-01 (-1/4)Del**2(Rho)) -0.4481670E-02 Diamond 0.1442680E-03 Metallicity 0.4420227E+00 Ellipticity -0.3920831E+00 Gb(Abramov) 0.3317947E-02 Vb(Abramov) -0.2154223E-02 Hb(Abramov) 0.1163724E-02 Ex_ueg -0.5210948E-03 Ec_ueg -0.1181570E-03 Delta_ex -0.6418526E-03 Delta_ec 0.1622877E-03 Delta_et -0.1008765E-02 Pxc 0.4410191E+01 Qxc -0.3955029E+01 3,+3 130 3 -1 1.673850 0.480174 -1.720973 Rho 0.3047212E-01 |GRAD(Rho)| 0.1899208E-15 GRAD(Rho)x 0.1357185E-15 GRAD(Rho)y -0.6138498E-16 GRAD(Rho)z -0.1178231E-15 Laplacian 0.1232615E+00 (-1/4)Del**2(Rho)) -0.3081538E-01 Diamond 0.3223916E-01 Metallicity 0.1661971E+01 Ellipticity 0.3908271E-01 Gb(Abramov) 0.2907930E-01 Vb(Abramov) -0.2734322E-01 Hb(Abramov) 0.1736080E-02 Ex_ueg -0.7029461E-02 Ec_ueg -0.1367986E-02 Delta_ex -0.9007965E-02 Delta_ec 0.3739385E-02 Delta_et -0.3449190E-01 Pxc 0.5138549E+01 Qxc -0.2408943E+01 3,-1 131 3 -1 1.910045 -0.645346 -2.834872 Rho 0.1502433E+00 |GRAD(Rho)| 0.1859775E-15 GRAD(Rho)x -0.6905013E-16 GRAD(Rho)y -0.1726050E-15 GRAD(Rho)z 0.5217723E-17 Laplacian 0.5677370E+00 (-1/4)Del**2(Rho)) -0.1419342E+00 Diamond 0.1163662E+01 Metallicity 0.5153762E+01 Ellipticity 0.1156097E+00 Gb(Abramov) 0.2165387E+00 Vb(Abramov) -0.2911432E+00 Hb(Abramov) -0.7460446E-01 Ex_ueg -0.5899000E-01 Ec_ueg -0.8459088E-02 Delta_ex -0.6110226E-01 Delta_ec 0.1459247E-01 Delta_et -0.1947456E+00 Pxc 0.6973565E+01 Qxc -0.4187246E+01 3,-1 132 3 -1 2.801261 -0.570203 -1.836826 Rho 0.1175374E+00 |GRAD(Rho)| 0.3820721E-15 GRAD(Rho)x 0.1299010E-16 GRAD(Rho)y -0.2420549E-15 GRAD(Rho)z 0.2953299E-15 Laplacian 0.4781512E+00 (-1/4)Del**2(Rho)) -0.1195378E+00 Diamond 0.7173397E+00 Metallicity 0.4064509E+01 Ellipticity 0.1426072E-01 Gb(Abramov) 0.1606690E+00 Vb(Abramov) -0.2018001E+00 Hb(Abramov) -0.4113115E-01 Ex_ueg -0.4252261E-01 Ec_ueg -0.6399141E-02 Delta_ex -0.4833265E-01 Delta_ec 0.1272835E-01 Delta_et -0.1627890E+00 Pxc 0.6645049E+01 Qxc -0.3797245E+01 3,-1 133 3 -1 -3.278920 -3.119528 0.082822 Rho 0.2459890E+00 |GRAD(Rho)| 0.5997403E-15 GRAD(Rho)x -0.4866984E-15 GRAD(Rho)y -0.3275375E-15 GRAD(Rho)z 0.1246290E-15 Laplacian 0.9048868E+00 (-1/4)Del**2(Rho)) -0.2262217E+00 Diamond 0.3283049E+01 Metallicity 0.7354364E+01 Ellipticity 0.1313461E-02 Gb(Abramov) 0.4281006E+00 Vb(Abramov) -0.6299794E+00 Hb(Abramov) -0.2018789E+00 Ex_ueg -0.1138342E+00 Ec_ueg -0.1485410E-01 Delta_ex -0.1099655E+00 Delta_ec 0.1971772E-01 Delta_et -0.2727593E+00 Pxc 0.7663486E+01 Qxc -0.5576987E+01 3,-1 134 3 -1 -2.060823 -0.915439 -3.253448 Rho 0.2370366E+00 |GRAD(Rho)| 0.3949136E-15 GRAD(Rho)x -0.2612927E-16 GRAD(Rho)y 0.3860844E-15 GRAD(Rho)z -0.7882150E-16 Laplacian 0.9019707E+00 (-1/4)Del**2(Rho)) -0.2254927E+00 Diamond 0.3107517E+01 Metallicity 0.6936064E+01 Ellipticity 0.1556572E-01 Gb(Abramov) 0.4110004E+00 Vb(Abramov) -0.5965081E+00 Hb(Abramov) -0.1855077E+00 Ex_ueg -0.1083442E+00 Ec_ueg -0.1423450E-01 Delta_ex -0.1084334E+00 Delta_ec 0.1965899E-01 Delta_et -0.2707143E+00 Pxc 0.7611378E+01 Qxc -0.5515714E+01 3,-1 135 3 -1 -1.794404 -0.568374 2.835740 Rho 0.1544798E+00 |GRAD(Rho)| 0.4139636E-15 GRAD(Rho)x 0.3088350E-15 GRAD(Rho)y -0.2619703E-15 GRAD(Rho)z 0.8578072E-16 Laplacian 0.6528699E+00 (-1/4)Del**2(Rho)) -0.1632175E+00 Diamond 0.1367334E+01 Metallicity 0.4694321E+01 Ellipticity 0.2014911E-01 Gb(Abramov) 0.2365108E+00 Vb(Abramov) -0.3098042E+00 Hb(Abramov) -0.7329336E-01 Ex_ueg -0.6121822E-01 Ec_ueg -0.8730900E-02 Delta_ex -0.7059043E-01 Delta_ec 0.1638712E-01 Delta_et -0.2188872E+00 Pxc 0.7011673E+01 Qxc -0.4307679E+01 3,-1 136 3 +1 0.491854 1.696066 0.563145 Rho 0.8015512E-02 |GRAD(Rho)| 0.1429747E-14 GRAD(Rho)x -0.4047967E-15 GRAD(Rho)y 0.7197781E-15 GRAD(Rho)z 0.1167149E-14 Laplacian 0.3315704E-01 (-1/4)Del**2(Rho)) -0.8289259E-02 Diamond 0.8558479E-03 Metallicity 0.6672004E+00 Ellipticity -0.1418688E+01 Gb(Abramov) 0.6447939E-02 Vb(Abramov) -0.4606619E-02 Hb(Abramov) 0.1841320E-02 Ex_ueg -0.1184750E-02 Ec_ueg -0.2789049E-03 Delta_ex -0.1512648E-02 Delta_ec 0.5104410E-03 Delta_et -0.3389752E-02 Pxc 0.4247865E+01 Qxc -0.2963414E+01 3,+1 137 3 -1 -2.969864 0.863580 2.048665 Rho 0.1359050E+00 |GRAD(Rho)| 0.3674129E-15 GRAD(Rho)x 0.6637350E-16 GRAD(Rho)y -0.3586134E-15 GRAD(Rho)z 0.4453360E-16 Laplacian 0.5425678E+00 (-1/4)Del**2(Rho)) -0.1356419E+00 Diamond 0.9803799E+00 Metallicity 0.4562661E+01 Ellipticity 0.3572206E-01 Gb(Abramov) 0.1935760E+00 Vb(Abramov) -0.2515101E+00 Hb(Abramov) -0.5793406E-01 Ex_ueg -0.5160586E-01 Ec_ueg -0.7547431E-02 Delta_ex -0.5692223E-01 Delta_ec 0.1417950E-01 Delta_et -0.1861843E+00 Pxc 0.6837539E+01 Qxc -0.4014404E+01 3,-1 138 3 -1 0.555772 1.830889 2.753078 Rho 0.1282189E+00 |GRAD(Rho)| 0.5021949E-12 GRAD(Rho)x -0.3134674E-12 GRAD(Rho)y 0.3894838E-12 GRAD(Rho)z -0.4733210E-13 Laplacian 0.5377445E+00 (-1/4)Del**2(Rho)) -0.1344361E+00 Diamond 0.8912152E+00 Metallicity 0.4177890E+01 Ellipticity 0.1202545E-01 Gb(Abramov) 0.1832340E+00 Vb(Abramov) -0.2320318E+00 Hb(Abramov) -0.4879785E-01 Ex_ueg -0.4775156E-01 Ec_ueg -0.7064156E-02 Delta_ex -0.5544739E-01 Delta_ec 0.1392598E-01 Delta_et -0.1805595E+00 Pxc 0.6759698E+01 Qxc -0.3981580E+01 3,-1 139 3 -1 0.806876 1.955964 -2.933292 Rho 0.1074318E+00 |GRAD(Rho)| 0.5292568E-15 GRAD(Rho)x 0.4090288E-15 GRAD(Rho)y -0.2896853E-15 GRAD(Rho)z -0.1699724E-15 Laplacian 0.4201837E+00 (-1/4)Del**2(Rho)) -0.1050459E+00 Diamond 0.5667839E+00 Metallicity 0.3981640E+01 Ellipticity 0.2610914E-01 Gb(Abramov) 0.1397398E+00 Vb(Abramov) -0.1744337E+00 Hb(Abramov) -0.3469387E-01 Ex_ueg -0.3771917E-01 Ec_ueg -0.5777401E-02 Delta_ex -0.4159428E-01 Delta_ec 0.1144828E-01 Delta_et -0.1440887E+00 Pxc 0.6528744E+01 Qxc -0.3633234E+01 3,-1 140 3 -1 0.826879 2.943795 -1.954339 Rho 0.1326768E+00 |GRAD(Rho)| 0.3800795E-14 GRAD(Rho)x 0.3876429E-15 GRAD(Rho)y -0.3287376E-14 GRAD(Rho)z 0.1867870E-14 Laplacian 0.5276341E+00 (-1/4)Del**2(Rho)) -0.1319085E+00 Diamond 0.9153455E+00 Metallicity 0.4507530E+01 Ellipticity 0.5036785E-01 Gb(Abramov) 0.1870360E+00 Vb(Abramov) -0.2421634E+00 Hb(Abramov) -0.5512743E-01 Ex_ueg -0.4997794E-01 Ec_ueg -0.7343982E-02 Delta_ex -0.5490658E-01 Delta_ec 0.1364063E-01 Delta_et -0.1779908E+00 Pxc 0.6805292E+01 Qxc -0.4025223E+01 3,-1 141 3 -1 1.610205 -1.723030 0.423127 Rho 0.3934007E-01 |GRAD(Rho)| 0.7203166E-16 GRAD(Rho)x 0.4980702E-16 GRAD(Rho)y -0.4840476E-16 GRAD(Rho)z -0.1909975E-16 Laplacian 0.1525482E+00 (-1/4)Del**2(Rho)) -0.3813704E-01 Diamond 0.5523993E-01 Metallicity 0.2055566E+01 Ellipticity 0.1312567E-01 Gb(Abramov) 0.3849023E-01 Vb(Abramov) -0.3884342E-01 Hb(Abramov) -0.3531864E-03 Ex_ueg -0.9881706E-02 Ec_ueg -0.1834715E-02 Delta_ex -0.1179289E-01 Delta_ec 0.4491711E-02 Delta_et -0.4443354E-01 Pxc 0.5385964E+01 Qxc -0.2625479E+01 3,-1 142 3 +1 1.249377 -2.145410 1.043176 Rho 0.2545520E-01 |GRAD(Rho)| 0.9026865E-12 GRAD(Rho)x 0.5191670E-12 GRAD(Rho)y 0.2422081E-12 GRAD(Rho)z -0.6975986E-12 Laplacian 0.1005688E+00 (-1/4)Del**2(Rho)) -0.2514221E-01 Diamond 0.1375424E-01 Metallicity 0.1509306E+01 Ellipticity -0.4047660E+01 Gb(Abramov) 0.2308602E-01 Vb(Abramov) -0.2102983E-01 Hb(Abramov) 0.2056188E-02 Ex_ueg -0.5530365E-02 Ec_ueg -0.1111660E-02 Delta_ex -0.6313709E-02 Delta_ec 0.1757705E-02 Delta_et -0.1557292E-01 Pxc 0.4974870E+01 Qxc -0.3592019E+01 3,+1 143 3 -1 2.928208 -0.865204 1.992992 Rho 0.1678269E+00 |GRAD(Rho)| 0.4377112E-15 GRAD(Rho)x 0.3540869E-15 GRAD(Rho)y 0.1644735E-15 GRAD(Rho)z -0.1978940E-15 Laplacian 0.6639907E+00 (-1/4)Del**2(Rho)) -0.1659977E+00 Diamond 0.1534927E+01 Metallicity 0.5299322E+01 Ellipticity 0.4719762E-01 Gb(Abramov) 0.2572776E+00 Vb(Abramov) -0.3485576E+00 Hb(Abramov) -0.9127997E-01 Ex_ueg -0.6837023E-01 Ec_ueg -0.9594293E-02 Delta_ex -0.7327483E-01 Delta_ec 0.1630012E-01 Delta_et -0.2199517E+00 Pxc 0.7126136E+01 Qxc -0.4495355E+01 3,-1 144 3 -1 -2.766047 -0.541535 1.842984 Rho 0.1408665E+00 |GRAD(Rho)| 0.5951255E-15 GRAD(Rho)x 0.1663437E-15 GRAD(Rho)y 0.4077007E-15 GRAD(Rho)z 0.4003552E-15 Laplacian 0.5879218E+00 (-1/4)Del**2(Rho)) -0.1469804E+00 Diamond 0.1107510E+01 Metallicity 0.4469987E+01 Ellipticity 0.8655220E-02 Gb(Abramov) 0.2074871E+00 Vb(Abramov) -0.2679937E+00 Hb(Abramov) -0.6050663E-01 Ex_ueg -0.5413297E-01 Ec_ueg -0.7861424E-02 Delta_ex -0.6220282E-01 Delta_ec 0.1520133E-01 Delta_et -0.2006412E+00 Pxc 0.6885899E+01 Qxc -0.4091932E+01 3,-1 145 3 +1 1.174897 2.089560 -1.163561 Rho 0.2457130E-01 |GRAD(Rho)| 0.1224861E-16 GRAD(Rho)x 0.6148155E-17 GRAD(Rho)y -0.7484738E-17 GRAD(Rho)z 0.7497160E-17 Laplacian 0.9902010E-01 (-1/4)Del**2(Rho)) -0.2475502E-01 Diamond 0.1412899E-01 Metallicity 0.1445229E+01 Ellipticity -0.7771010E+01 Gb(Abramov) 0.2246613E-01 Vb(Abramov) -0.2017724E-01 Hb(Abramov) 0.2288894E-02 Ex_ueg -0.5275812E-02 Ec_ueg -0.1067154E-02 Delta_ex -0.6294960E-02 Delta_ec 0.1974560E-02 Delta_et -0.1728432E-01 Pxc 0.4943814E+01 Qxc -0.3188031E+01 3,+1 146 3 -1 0.573496 2.807126 1.795624 Rho 0.1299129E+00 |GRAD(Rho)| 0.1011782E-15 GRAD(Rho)x -0.5877731E-16 GRAD(Rho)y 0.5083214E-16 GRAD(Rho)z 0.6479463E-16 Laplacian 0.5425646E+00 (-1/4)Del**2(Rho)) -0.1356411E+00 Diamond 0.9176427E+00 Metallicity 0.4232355E+01 Ellipticity 0.1371269E-01 Gb(Abramov) 0.1861077E+00 Vb(Abramov) -0.2365742E+00 Hb(Abramov) -0.5046653E-01 Ex_ueg -0.4859460E-01 Ec_ueg -0.7170335E-02 Delta_ex -0.5617222E-01 Delta_ec 0.1409584E-01 Delta_et -0.1833145E+00 Pxc 0.6777173E+01 Qxc -0.3985021E+01 3,-1 147 3 -1 -0.511832 1.704459 1.701754 Rho 0.3728166E-01 |GRAD(Rho)| 0.1007876E-15 GRAD(Rho)x 0.4184062E-16 GRAD(Rho)y 0.8049598E-16 GRAD(Rho)z 0.4390786E-16 Laplacian 0.1536555E+00 (-1/4)Del**2(Rho)) -0.3841388E-01 Diamond 0.5352037E-01 Metallicity 0.1865909E+01 Ellipticity 0.2620063E-01 Gb(Abramov) 0.3755539E-01 Vb(Abramov) -0.3669689E-01 Hb(Abramov) 0.8584931E-03 Ex_ueg -0.9198396E-02 Ec_ueg -0.1724969E-02 Delta_ex -0.1183630E-01 Delta_ec 0.4730835E-02 Delta_et -0.4613875E-01 Pxc 0.5332499E+01 Qxc -0.2501948E+01 3,-1 148 3 -1 1.988062 0.810370 -3.001834 Rho 0.1529950E+00 |GRAD(Rho)| 0.5959368E-13 GRAD(Rho)x -0.2564203E-13 GRAD(Rho)y -0.5341868E-13 GRAD(Rho)z 0.6351189E-14 Laplacian 0.6031108E+00 (-1/4)Del**2(Rho)) -0.1507777E+00 Diamond 0.1241736E+01 Metallicity 0.5000476E+01 Ellipticity 0.6336414E-01 Gb(Abramov) 0.2261785E+00 Vb(Abramov) -0.3015793E+00 Hb(Abramov) -0.7540080E-01 Ex_ueg -0.6043491E-01 Ec_ueg -0.8635510E-02 Delta_ex -0.6498891E-01 Delta_ec 0.1505674E-01 Delta_et -0.2005757E+00 Pxc 0.6998419E+01 Qxc -0.4316268E+01 3,-1 149 3 +1 2.079506 0.988443 -1.346872 Rho 0.2181409E-01 |GRAD(Rho)| 0.7550309E-16 GRAD(Rho)x 0.6583159E-16 GRAD(Rho)y 0.2310100E-17 GRAD(Rho)z -0.3689960E-16 Laplacian 0.8425695E-01 (-1/4)Del**2(Rho)) -0.2106424E-01 Diamond 0.9046922E-02 Metallicity 0.1392844E+01 Ellipticity -0.3035777E+01 Gb(Abramov) 0.1893269E-01 Vb(Abramov) -0.1680114E-01 Hb(Abramov) 0.2131547E-02 Ex_ueg -0.4501609E-02 Ec_ueg -0.9296862E-03 Delta_ex -0.5042274E-02 Delta_ec 0.1409214E-02 Delta_et -0.1203393E-01 Pxc 0.4842073E+01 Qxc -0.3578075E+01 3,+1 150 3 +1 2.020890 1.972018 -2.026738 Rho 0.1214399E-01 |GRAD(Rho)| 0.2915121E-14 GRAD(Rho)x 0.1990569E-14 GRAD(Rho)y 0.4568237E-15 GRAD(Rho)z 0.2080115E-14 Laplacian 0.5736030E-01 (-1/4)Del**2(Rho)) -0.1434007E-01 Diamond 0.2020194E-02 Metallicity 0.7707923E+00 Ellipticity -0.1189296E+01 Gb(Abramov) 0.1140225E-01 Vb(Abramov) -0.8464431E-02 Hb(Abramov) 0.2937822E-02 Ex_ueg -0.2061580E-02 Ec_ueg -0.4662201E-03 Delta_ex -0.2738481E-02 Delta_ec 0.5839933E-03 Delta_et -0.4514346E-02 Pxc 0.4421903E+01 Qxc -0.4689234E+01 3,+1 151 3 -1 1.668022 1.658523 -0.474254 Rho 0.3734856E-01 |GRAD(Rho)| 0.1938214E-16 GRAD(Rho)x 0.1742982E-16 GRAD(Rho)y 0.8436872E-17 GRAD(Rho)z -0.8293511E-18 Laplacian 0.1441896E+00 (-1/4)Del**2(Rho)) -0.3604740E-01 Diamond 0.4825310E-01 Metallicity 0.1994354E+01 Ellipticity 0.1137075E-01 Gb(Abramov) 0.3601348E-01 Vb(Abramov) -0.3597956E-01 Hb(Abramov) 0.3391911E-04 Ex_ueg -0.9220409E-02 Ec_ueg -0.1728523E-02 Delta_ex -0.1097893E-01 Delta_ec 0.4201745E-02 Delta_et -0.4098256E-01 Pxc 0.5334270E+01 Qxc -0.2612944E+01 3,-1 152 3 +3 1.813376 1.767458 -1.824309 Rho 0.1160525E-01 |GRAD(Rho)| 0.6269263E-17 GRAD(Rho)x 0.2851756E-17 GRAD(Rho)y -0.5563693E-17 GRAD(Rho)z -0.4652569E-18 Laplacian 0.5266205E-01 (-1/4)Del**2(Rho)) -0.1316551E-01 Diamond 0.1035959E-02 Metallicity 0.7784063E+00 Ellipticity -0.5549983E+00 Gb(Abramov) 0.1048503E-01 Vb(Abramov) -0.7804543E-02 Hb(Abramov) 0.2680484E-02 Ex_ueg -0.1940548E-02 Ec_ueg -0.4413768E-03 Delta_ex -0.2269861E-02 Delta_ec 0.1550678E-03 Delta_et -0.1566484E-02 Pxc 0.4396580E+01 Qxc -0.1463786E+02 3,+3 153 3 -1 2.982639 0.812009 -1.996367 Rho 0.1224940E+00 |GRAD(Rho)| 0.1292770E-15 GRAD(Rho)x 0.5471494E-16 GRAD(Rho)y -0.8087471E-16 GRAD(Rho)z -0.8472362E-16 Laplacian 0.4933187E+00 (-1/4)Del**2(Rho)) -0.1233297E+00 Diamond 0.7784298E+00 Metallicity 0.4220305E+01 Ellipticity 0.2310105E-01 Gb(Abramov) 0.1689679E+00 Vb(Abramov) -0.2146062E+00 Hb(Abramov) -0.4563825E-01 Ex_ueg -0.4493020E-01 Ec_ueg -0.6706760E-02 Delta_ex -0.5036909E-01 Delta_ec 0.1302056E-01 Delta_et -0.1677406E+00 Pxc 0.6699240E+01 Qxc -0.3868428E+01 3,-1 154 3 +1 1.283905 1.025300 -2.100034 Rho 0.2298807E-01 |GRAD(Rho)| 0.2556503E-11 GRAD(Rho)x -0.1564339E-11 GRAD(Rho)y 0.1944267E-11 GRAD(Rho)z -0.5553192E-12 Laplacian 0.9156129E-01 (-1/4)Del**2(Rho)) -0.2289032E-01 Diamond 0.1189755E-01 Metallicity 0.1398746E+01 Ellipticity -0.6553334E+01 Gb(Abramov) 0.2059651E-01 Vb(Abramov) -0.1830269E-01 Hb(Abramov) 0.2293816E-02 Ex_ueg -0.4827495E-02 Ec_ueg -0.9879601E-03 Delta_ex -0.5717941E-02 Delta_ec 0.1820058E-02 Delta_et -0.1566071E-01 Pxc 0.4886326E+01 Qxc -0.3141625E+01 3,+1 155 3 -1 -3.194014 0.027476 -3.214694 Rho 0.2364164E+00 |GRAD(Rho)| 0.2812279E-14 GRAD(Rho)x -0.2353694E-14 GRAD(Rho)y -0.1538998E-14 GRAD(Rho)z -0.2287667E-16 Laplacian 0.8705756E+00 (-1/4)Del**2(Rho)) -0.2176439E+00 Diamond 0.3019357E+01 Metallicity 0.7154884E+01 Ellipticity 0.2096970E-01 Gb(Abramov) 0.4046321E+00 Vb(Abramov) -0.5916203E+00 Hb(Abramov) -0.1869882E+00 Ex_ueg -0.1079664E+00 Ec_ueg -0.1419174E-01 Delta_ex -0.1047473E+00 Delta_ec 0.1927503E-01 Delta_et -0.2666643E+00 Pxc 0.7607690E+01 Qxc -0.5434356E+01 3,-1 156 3 -1 -0.599573 1.803452 -2.731800 Rho 0.1405400E+00 |GRAD(Rho)| 0.8649393E-16 GRAD(Rho)x 0.6600081E-16 GRAD(Rho)y 0.1760473E-16 GRAD(Rho)z -0.5305814E-16 Laplacian 0.6046303E+00 (-1/4)Del**2(Rho)) -0.1511576E+00 Diamond 0.1116790E+01 Metallicity 0.4329688E+01 Ellipticity 0.2210414E-01 Gb(Abramov) 0.2098492E+00 Vb(Abramov) -0.2685409E+00 Hb(Abramov) -0.5869167E-01 Ex_ueg -0.5396577E-01 Ec_ueg -0.7840717E-02 Delta_ex -0.6372775E-01 Delta_ec 0.1527312E-01 Delta_et -0.2007473E+00 Pxc 0.6882760E+01 Qxc -0.4172544E+01 3,-1 157 3 -1 -0.835355 2.009345 2.989322 Rho 0.1257179E+00 |GRAD(Rho)| 0.5991679E-15 GRAD(Rho)x -0.4230286E-15 GRAD(Rho)y -0.3831096E-15 GRAD(Rho)z 0.1824170E-15 Laplacian 0.4938469E+00 (-1/4)Del**2(Rho)) -0.1234617E+00 Diamond 0.8047389E+00 Metallicity 0.4402331E+01 Ellipticity 0.3790246E-01 Gb(Abramov) 0.1728944E+00 Vb(Abramov) -0.2223271E+00 Hb(Abramov) -0.4943266E-01 Ex_ueg -0.4651374E-01 Ec_ueg -0.6907751E-02 Delta_ex -0.5074803E-01 Delta_ec 0.1297163E-01 Delta_et -0.1678691E+00 Pxc 0.6733558E+01 Qxc -0.3912232E+01 3,-1 158 3 -1 0.070318 3.220647 3.175120 Rho 0.2335999E+00 |GRAD(Rho)| 0.1096562E-13 GRAD(Rho)x -0.1082931E-13 GRAD(Rho)y -0.1663817E-14 GRAD(Rho)z 0.4500523E-15 Laplacian 0.8357065E+00 (-1/4)Del**2(Rho)) -0.2089266E+00 Diamond 0.2876458E+01 Metallicity 0.7306014E+01 Ellipticity 0.4794953E-02 Gb(Abramov) 0.3936879E+00 Vb(Abramov) -0.5784492E+00 Hb(Abramov) -0.1847613E+00 Ex_ueg -0.1062548E+00 Ec_ueg -0.1399782E-01 Delta_ex -0.1003461E+00 Delta_ec 0.1876079E-01 Delta_et -0.2602528E+00 Pxc 0.7590814E+01 Qxc -0.5348714E+01 3,-1 159 3 -1 3.216886 3.157853 0.066458 Rho 0.2456079E+00 |GRAD(Rho)| 0.4115608E-15 GRAD(Rho)x 0.3998538E-15 GRAD(Rho)y -0.7578573E-16 GRAD(Rho)z 0.6128453E-16 Laplacian 0.8879655E+00 (-1/4)Del**2(Rho)) -0.2219914E+00 Diamond 0.3230904E+01 Metallicity 0.7475168E+01 Ellipticity 0.1782562E-02 Gb(Abramov) 0.4245647E+00 Vb(Abramov) -0.6271381E+00 Hb(Abramov) -0.2025733E+00 Ex_ueg -0.1135991E+00 Ec_ueg -0.1482763E-01 Delta_ex -0.1079440E+00 Delta_ec 0.1949862E-01 Delta_et -0.2703615E+00 Pxc 0.7661310E+01 Qxc -0.5535982E+01 3,-1 160 3 -1 -1.854714 2.776516 -0.547875 Rho 0.1147542E+00 |GRAD(Rho)| 0.6377978E-14 GRAD(Rho)x -0.5190909E-14 GRAD(Rho)y -0.8517425E-15 GRAD(Rho)z 0.3606605E-14 Laplacian 0.4709390E+00 (-1/4)Del**2(Rho)) -0.1177347E+00 Diamond 0.6908075E+00 Metallicity 0.3965180E+01 Ellipticity 0.7113987E-02 Gb(Abramov) 0.1562964E+00 Vb(Abramov) -0.1948581E+00 Hb(Abramov) -0.3856166E-01 Ex_ueg -0.4118539E-01 Ec_ueg -0.6227168E-02 Delta_ex -0.4739501E-01 Delta_ec 0.1271729E-01 Delta_et -0.1621315E+00 Pxc 0.6613824E+01 Qxc -0.3726815E+01 3,-1 161 3 -1 -0.838945 2.994260 1.985026 Rho 0.1541094E+00 |GRAD(Rho)| 0.5041990E-13 GRAD(Rho)x 0.2251022E-13 GRAD(Rho)y 0.2041851E-13 GRAD(Rho)z 0.4023110E-13 Laplacian 0.6041355E+00 (-1/4)Del**2(Rho)) -0.1510339E+00 Diamond 0.1251404E+01 Metallicity 0.5052744E+01 Ellipticity 0.6208998E-01 Gb(Abramov) 0.2278785E+00 Vb(Abramov) -0.3047231E+00 Hb(Abramov) -0.7684463E-01 Ex_ueg -0.6102257E-01 Ec_ueg -0.8707091E-02 Delta_ex -0.6518420E-01 Delta_ec 0.1499767E-01 Delta_et -0.1998419E+00 Pxc 0.7008377E+01 Qxc -0.4346288E+01 3,-1 162 3 -1 0.291281 0.342651 -0.366418 Rho 0.2010492E+00 |GRAD(Rho)| 0.2980488E-13 GRAD(Rho)x 0.1147163E-13 GRAD(Rho)y -0.2057199E-13 GRAD(Rho)z -0.1826269E-13 Laplacian 0.7004668E+00 (-1/4)Del**2(Rho)) -0.1751167E+00 Diamond 0.2237620E+01 Metallicity 0.6787806E+01 Ellipticity 0.5220319E-02 Gb(Abramov) 0.3148542E+00 Vb(Abramov) -0.4545916E+00 Hb(Abramov) -0.1397375E+00 Ex_ueg -0.8698708E-01 Ec_ueg -0.1178826E-01 Delta_ex -0.8243144E-01 Delta_ec 0.1910996E-01 Delta_et -0.2720088E+00 Pxc 0.7379130E+01 Qxc -0.4313533E+01 3,-1 163 3 -1 2.000374 2.933405 -0.840457 Rho 0.1396439E+00 |GRAD(Rho)| 0.1518730E-11 GRAD(Rho)x 0.1900933E-12 GRAD(Rho)y -0.1449834E-11 GRAD(Rho)z -0.4103497E-12 Laplacian 0.5535172E+00 (-1/4)Del**2(Rho)) -0.1383793E+00 Diamond 0.1036137E+01 Metallicity 0.4679346E+01 Ellipticity 0.2843511E-01 Gb(Abramov) 0.2001736E+00 Vb(Abramov) -0.2619680E+00 Hb(Abramov) -0.6179434E-01 Ex_ueg -0.5350744E-01 Ec_ueg -0.7783904E-02 Delta_ex -0.5848574E-01 Delta_ec 0.1442626E-01 Delta_et -0.1903344E+00 Pxc 0.6874114E+01 Qxc -0.4054116E+01 3,-1 164 3 -1 -2.829070 1.792447 -0.552667 Rho 0.1862418E+00 |GRAD(Rho)| 0.3087519E-16 GRAD(Rho)x 0.3964114E-17 GRAD(Rho)y -0.6613633E-17 GRAD(Rho)z -0.2989687E-16 Laplacian 0.7570555E+00 (-1/4)Del**2(Rho)) -0.1892639E+00 Diamond 0.1942911E+01 Metallicity 0.5528587E+01 Ellipticity 0.3017079E-01 Gb(Abramov) 0.3005696E+00 Vb(Abramov) -0.4118753E+00 Hb(Abramov) -0.1113057E+00 Ex_ueg -0.7855154E-01 Ec_ueg -0.1080263E-01 Delta_ex -0.8545948E-01 Delta_ec 0.1754768E-01 Delta_et -0.2377598E+00 Pxc 0.7271519E+01 Qxc -0.4870130E+01 3,-1 165 3 -1 -3.023228 1.970874 0.882448 Rho 0.1364228E+00 |GRAD(Rho)| 0.3597111E-15 GRAD(Rho)x -0.1186049E-15 GRAD(Rho)y -0.5757114E-16 GRAD(Rho)z 0.3346797E-15 Laplacian 0.5301280E+00 (-1/4)Del**2(Rho)) -0.1325320E+00 Diamond 0.9568936E+00 Metallicity 0.4699416E+01 Ellipticity 0.4289970E-01 Gb(Abramov) 0.1921585E+00 Vb(Abramov) -0.2517850E+00 Hb(Abramov) -0.5962649E-01 Ex_ueg -0.5186817E-01 Ec_ueg -0.7580125E-02 Delta_ex -0.5560743E-01 Delta_ec 0.1373281E-01 Delta_et -0.1802092E+00 Pxc 0.6842653E+01 Qxc -0.4049239E+01 3,-1 166 3 -1 1.157692 -1.820802 -2.542681 Rho 0.2982992E+00 |GRAD(Rho)| 0.3718990E-13 GRAD(Rho)x 0.2079392E-13 GRAD(Rho)y 0.3034012E-13 GRAD(Rho)z -0.5493476E-14 Laplacian -0.1453189E+01 (-1/4)Del**2(Rho)) 0.3632972E+00 Diamond 0.4888713E+01 Metallicity -0.6315067E+01 Ellipticity 0.4185575E-02 Gb(Abramov) 0.1401762E+00 Vb(Abramov) -0.6436496E+00 Hb(Abramov) -0.5034734E+00 Ex_ueg -0.1472045E+00 Ec_ueg -0.1856231E-01 Delta_ex 0.1398869E+00 Delta_ec 0.5228500E-01 Delta_et -0.1200295E+01 Pxc 0.7930292E+01 Qxc 0.2675468E+01 3,-1 167 3 -1 1.823041 2.772125 0.571533 Rho 0.1449710E+00 |GRAD(Rho)| 0.4133957E-14 GRAD(Rho)x 0.2924730E-14 GRAD(Rho)y -0.8892152E-15 GRAD(Rho)z -0.2782957E-14 Laplacian 0.6094037E+00 (-1/4)Del**2(Rho)) -0.1523509E+00 Diamond 0.1186470E+01 Metallicity 0.4523870E+01 Ellipticity 0.1240830E-01 Gb(Abramov) 0.2164366E+00 Vb(Abramov) -0.2805222E+00 Hb(Abramov) -0.6408565E-01 Ex_ueg -0.5624622E-01 Ec_ueg -0.8122369E-02 Delta_ex -0.6491035E-01 Delta_ec 0.1561288E-01 Delta_et -0.2068780E+00 Pxc 0.6924855E+01 Qxc -0.4157488E+01 3,-1 168 3 -1 2.989181 1.939975 -0.822739 Rho 0.1517245E+00 |GRAD(Rho)| 0.2484629E-15 GRAD(Rho)x 0.3442342E-17 GRAD(Rho)y -0.1566537E-15 GRAD(Rho)z -0.1928254E-15 Laplacian 0.6056398E+00 (-1/4)Del**2(Rho)) -0.1514100E+00 Diamond 0.1247865E+01 Metallicity 0.4910867E+01 Ellipticity 0.3815172E-01 Gb(Abramov) 0.2248657E+00 Vb(Abramov) -0.2983214E+00 Hb(Abramov) -0.7345571E-01 Ex_ueg -0.5976670E-01 Ec_ueg -0.8553997E-02 Delta_ex -0.6525818E-01 Delta_ec 0.1538536E-01 Delta_et -0.2052798E+00 Pxc 0.6986991E+01 Qxc -0.4241577E+01 3,-1 169 3 -1 2.793316 1.783443 0.596238 Rho 0.1509356E+00 |GRAD(Rho)| 0.5419215E-12 GRAD(Rho)x 0.1146830E-12 GRAD(Rho)y -0.3894639E-12 GRAD(Rho)z 0.3589493E-12 Laplacian 0.6387131E+00 (-1/4)Del**2(Rho)) -0.1596783E+00 Diamond 0.1305322E+01 Metallicity 0.4616294E+01 Ellipticity 0.1407225E-01 Gb(Abramov) 0.2293058E+00 Vb(Abramov) -0.2989334E+00 Hb(Abramov) -0.6962757E-01 Ex_ueg -0.5935273E-01 Ec_ueg -0.8503433E-02 Delta_ex -0.6870925E-01 Delta_ec 0.1620294E-01 Delta_et -0.2159310E+00 Pxc 0.6979854E+01 Qxc -0.4240543E+01 3,-1 170 3 +1 -1.365084 2.112559 1.057819 Rho 0.2355954E-01 |GRAD(Rho)| 0.1080194E-14 GRAD(Rho)x -0.8277553E-15 GRAD(Rho)y 0.4898088E-15 GRAD(Rho)z -0.4916570E-15 Laplacian 0.9232647E-01 (-1/4)Del**2(Rho)) -0.2308162E-01 Diamond 0.1132169E-01 Metallicity 0.1445101E+01 Ellipticity -0.3563834E+01 Gb(Abramov) 0.2094696E-01 Vb(Abramov) -0.1881230E-01 Hb(Abramov) 0.2134660E-02 Ex_ueg -0.4988165E-02 Ec_ueg -0.1016466E-02 Delta_ex -0.5674822E-02 Delta_ec 0.1607312E-02 Delta_et -0.1397158E-01 Pxc 0.4907359E+01 Qxc -0.3530629E+01 3,+1 171 3 -1 3.135676 -3.219316 -0.125916 Rho 0.2401413E+00 |GRAD(Rho)| 0.1180999E-13 GRAD(Rho)x -0.5188016E-14 GRAD(Rho)y 0.1007571E-13 GRAD(Rho)z -0.3322714E-14 Laplacian 0.8734225E+00 (-1/4)Del**2(Rho)) -0.2183556E+00 Diamond 0.3090129E+01 Metallicity 0.7319818E+01 Ellipticity 0.8928160E-02 Gb(Abramov) 0.4119576E+00 Vb(Abramov) -0.6055596E+00 Hb(Abramov) -0.1936020E+00 Ex_ueg -0.1102404E+00 Ec_ueg -0.1444888E-01 Delta_ex -0.1055375E+00 Delta_ec 0.1928077E-01 Delta_et -0.2670312E+00 Pxc 0.7629685E+01 Qxc -0.5473720E+01 3,-1 172 3 -1 -3.263311 3.146030 -0.057131 Rho 0.2310519E+00 |GRAD(Rho)| 0.2494519E-10 GRAD(Rho)x -0.1690738E-10 GRAD(Rho)y 0.1792057E-10 GRAD(Rho)z -0.3905871E-11 Laplacian 0.8288164E+00 (-1/4)Del**2(Rho)) -0.2072041E+00 Diamond 0.2810597E+01 Metallicity 0.7233315E+01 Ellipticity 0.9095374E-02 Gb(Abramov) 0.3879315E+00 Vb(Abramov) -0.5686589E+00 Hb(Abramov) -0.1807274E+00 Ex_ueg -0.1047123E+00 Ec_ueg -0.1382275E-01 Delta_ex -0.9920898E-01 Delta_ec 0.1861810E-01 Delta_et -0.2579448E+00 Pxc 0.7575361E+01 Qxc -0.5328631E+01 3,-1 173 3 -1 -2.001958 -3.065552 -0.713901 Rho 0.1539561E+00 |GRAD(Rho)| 0.9228984E-15 GRAD(Rho)x -0.5684472E-15 GRAD(Rho)y 0.3811377E-15 GRAD(Rho)z 0.6191472E-15 Laplacian 0.5789939E+00 (-1/4)Del**2(Rho)) -0.1447485E+00 Diamond 0.1238392E+01 Metallicity 0.5263412E+01 Ellipticity 0.1153408E+00 Gb(Abramov) 0.2234775E+00 Vb(Abramov) -0.3022064E+00 Hb(Abramov) -0.7872899E-01 Ex_ueg -0.6094166E-01 Ec_ueg -0.8697241E-02 Delta_ex -0.6284578E-01 Delta_ec 0.1507285E-01 Delta_et -0.2025092E+00 Pxc 0.7007011E+01 Qxc -0.4169470E+01 3,-1 174 3 -1 -0.428237 0.343221 0.370709 Rho 0.1977363E+00 |GRAD(Rho)| 0.3879042E-12 GRAD(Rho)x 0.1794429E-12 GRAD(Rho)y -0.2355695E-12 GRAD(Rho)z -0.2505533E-12 Laplacian 0.6747955E+00 (-1/4)Del**2(Rho)) -0.1686989E+00 Diamond 0.2112783E+01 Metallicity 0.6853593E+01 Ellipticity 0.1941583E-02 Gb(Abramov) 0.3051648E+00 Vb(Abramov) -0.4416307E+00 Hb(Abramov) -0.1364659E+00 Ex_ueg -0.8508119E-01 Ec_ueg -0.1156667E-01 Delta_ex -0.7908241E-01 Delta_ec 0.1848458E-01 Delta_et -0.2625342E+00 Pxc 0.7355720E+01 Qxc -0.4278292E+01 3,-1 175 3 -1 -0.093346 3.172797 -3.134969 Rho 0.2339222E+00 |GRAD(Rho)| 0.5351275E-14 GRAD(Rho)x 0.2146815E-14 GRAD(Rho)y 0.4811743E-14 GRAD(Rho)z -0.9351244E-15 Laplacian 0.8428303E+00 (-1/4)Del**2(Rho)) -0.2107076E+00 Diamond 0.2900605E+01 Metallicity 0.7260929E+01 Ellipticity 0.1008778E-03 Gb(Abramov) 0.3954605E+00 Vb(Abramov) -0.5802135E+00 Hb(Abramov) -0.1847529E+00 Ex_ueg -0.1064503E+00 Ec_ueg -0.1401999E-01 Delta_ex -0.1012092E+00 Delta_ec 0.1886206E-01 Delta_et -0.2614573E+00 Pxc 0.7592756E+01 Qxc -0.5365755E+01 3,-1 176 3 -1 1.758122 -2.831367 -0.635853 Rho 0.2008837E+00 |GRAD(Rho)| 0.1895618E-15 GRAD(Rho)x -0.1852902E-15 GRAD(Rho)y -0.3991219E-16 GRAD(Rho)z -0.2873136E-17 Laplacian 0.7828206E+00 (-1/4)Del**2(Rho)) -0.1957052E+00 Diamond 0.2224093E+01 Metallicity 0.6065392E+01 Ellipticity 0.5398347E-02 Gb(Abramov) 0.3283082E+00 Vb(Abramov) -0.4609112E+00 Hb(Abramov) -0.1326030E+00 Ex_ueg -0.8689167E-01 Ec_ueg -0.1177718E-01 Delta_ex -0.9025423E-01 Delta_ec 0.1805844E-01 Delta_et -0.2471610E+00 Pxc 0.7377970E+01 Qxc -0.4997897E+01 3,-1 177 3 -1 -0.767963 -3.413615 -1.272251 Rho 0.3102967E+00 |GRAD(Rho)| 0.9675316E-13 GRAD(Rho)x -0.5986589E-13 GRAD(Rho)y 0.4902256E-13 GRAD(Rho)z 0.5808647E-13 Laplacian -0.1597560E+01 (-1/4)Del**2(Rho)) 0.3993900E+00 Diamond 0.5404967E+01 Metallicity -0.6134577E+01 Ellipticity 0.2055378E-02 Gb(Abramov) 0.1420881E+00 Vb(Abramov) -0.6835662E+00 Hb(Abramov) -0.5414781E+00 Ex_ueg -0.1551510E+00 Ec_ueg -0.1943407E-01 Delta_ex 0.1570831E+00 Delta_ec 0.5590561E-01 Delta_et -0.1309773E+01 Pxc 0.7983454E+01 Qxc 0.2809792E+01 3,-1 178 3 -1 1.786118 0.553322 2.768669 Rho 0.1400406E+00 |GRAD(Rho)| 0.3143167E-15 GRAD(Rho)x -0.2508437E-15 GRAD(Rho)y 0.1736079E-15 GRAD(Rho)z 0.7571458E-16 Laplacian 0.5870054E+00 (-1/4)Del**2(Rho)) -0.1467514E+00 Diamond 0.1093388E+01 Metallicity 0.4433307E+01 Ellipticity 0.1221259E-01 Gb(Abramov) 0.2062665E+00 Vb(Abramov) -0.2657817E+00 Hb(Abramov) -0.5951519E-01 Ex_ueg -0.5371025E-01 Ec_ueg -0.7809052E-02 Delta_ex -0.6196666E-01 Delta_ec 0.1510946E-01 Delta_et -0.1990648E+00 Pxc 0.6877948E+01 Qxc -0.4101183E+01 3,-1 179 3 -1 -3.165768 -0.049300 3.248479 Rho 0.2449146E+00 |GRAD(Rho)| 0.7293602E-08 GRAD(Rho)x -0.5107647E-08 GRAD(Rho)y -0.1244378E-08 GRAD(Rho)z 0.5055700E-08 Laplacian 0.8965115E+00 (-1/4)Del**2(Rho)) -0.2241279E+00 Diamond 0.3240924E+01 Metallicity 0.7369108E+01 Ellipticity 0.8795956E-03 Gb(Abramov) 0.4246890E+00 Vb(Abramov) -0.6252502E+00 Hb(Abramov) -0.2005612E+00 Ex_ueg -0.1131717E+00 Ec_ueg -0.1477950E-01 Delta_ex -0.1088505E+00 Delta_ec 0.1961052E-01 Delta_et -0.2714727E+00 Pxc 0.7657341E+01 Qxc -0.5550618E+01 3,-1 180 3 -1 1.146660 -2.322787 -1.986642 Rho 0.5447487E-01 |GRAD(Rho)| 0.3812185E-16 GRAD(Rho)x -0.9896308E-17 GRAD(Rho)y -0.3655786E-16 GRAD(Rho)z 0.4342943E-17 Laplacian 0.1327432E+00 (-1/4)Del**2(Rho)) -0.3318581E-01 Diamond 0.1235121E+00 Metallicity 0.4063758E+01 Ellipticity 0.1235429E-01 Gb(Abramov) 0.4460039E-01 Vb(Abramov) -0.5601496E-01 Hb(Abramov) -0.1141458E-01 Ex_ueg -0.1525153E-01 Ec_ueg -0.2663681E-02 Delta_ex -0.1300726E-01 Delta_ec 0.7240852E-02 Delta_et -0.7925783E-01 Pxc 0.5725733E+01 Qxc -0.1796372E+01 3,-1 181 3 -1 -0.600302 2.800942 -1.757515 Rho 0.1515861E+00 |GRAD(Rho)| 0.3421886E-15 GRAD(Rho)x 0.2748453E-15 GRAD(Rho)y -0.5994960E-16 GRAD(Rho)z 0.1948311E-15 Laplacian 0.6253721E+00 (-1/4)Del**2(Rho)) -0.1563430E+00 Diamond 0.1262206E+01 Metallicity 0.4748687E+01 Ellipticity 0.2879227E-01 Gb(Abramov) 0.2279660E+00 Vb(Abramov) -0.2995890E+00 Hb(Abramov) -0.7162299E-01 Ex_ueg -0.5969401E-01 Ec_ueg -0.8545122E-02 Delta_ex -0.6712460E-01 Delta_ec 0.1545349E-01 Delta_et -0.2051440E+00 Pxc 0.6985741E+01 Qxc -0.4343654E+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 97 82 93 99 94 92 127 128 162 174 126 156 181 139 140 175 147 138 146 157 161 158 141 109 176 110 108 171 151 169 167 168 163 159 123 164 160 165 66 172 119 57 59 56 173 133 54 61 67 63 134 155 74 144 135 137 78 179 105 118 178 143 100 117 130 132 131 153 148 115 89 86 83 166 180 90 177 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 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 36 52 52 53 53 2.446651 1.971536 1.898475 1.948568 1.901188 1.734909 1.570247 1.549702 1.561048 1.568383 2.437385 1.910924 1.885815 2.035087 1.947499 1.726490 2.471113 1.952028 1.945485 1.970086 1.889642 1.727092 2.472702 1.905189 1.810707 2.062660 2.007003 1.743605 2.494224 1.909241 1.926560 1.917845 1.951914 1.734974 2.479938 1.806939 1.997024 1.937501 2.051406 1.731485 2.402455 1.941677 1.970145 1.914225 1.920454 1.733960 2.381322 2.226509 1.950104 1.966219 1.747622 1.749467 2.416483 1.938829 1.900701 1.961996 1.929132 1.735853 2.517723 1.953098 1.940772 1.879480 1.935135 1.735877 2.559613 1.988925 1.904053 1.978261 1.890717 1.727509 3.229413 3.096132 3.117980 1.016097 1.627081 1.742985 1.004929 2.447767 1.971906 1.898962 1.949196 1.901786 1.734912 1.570287 1.549809 1.561089 1.568406 2.438566 1.911432 1.886452 2.035821 1.948325 1.726503 2.472232 1.952632 1.946032 1.970818 1.890324 1.727104 2.473694 1.905643 1.810853 2.063211 2.007625 1.743622 2.495379 1.909628 1.926993 1.918425 1.952479 1.734976 2.480912 1.807357 1.997544 1.938204 2.052178 1.731510 2.404082 1.942193 1.970568 1.914914 1.921738 1.733968 2.382949 2.226931 1.950579 1.966844 1.747630 1.749486 2.417638 1.939282 1.901137 1.962599 1.929745 1.735856 2.518748 1.953467 1.941271 1.880000 1.935720 1.735881 2.560540 1.989606 1.905544 1.979101 1.891407 1.727520 3.270266 3.097941 3.121326 1.016194 1.631471 1.743828 1.005054 27 27 25 27 24 20 22 22 21 21 29 23 25 25 25 21 29 23 24 23 23 21 29 25 22 25 24 21 29 23 23 23 23 20 29 22 23 23 27 22 28 25 25 25 23 21 27 26 25 25 22 22 27 26 23 23 28 20 29 23 24 25 26 22 29 23 26 25 26 21 35 35 33 18 23 25 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W P Mo Mo W W Mo W W W W Mo 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 2.4816 2.3139 2.3445 2.3307 2.4225 2.4613 2.3266 2.4759 2.3873 2.4588 2.4749 2.3182 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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 2.518747 2.004674 3.184393 3.182372 2.490428 2.516674 3.166901 2.536278 2.490819 2.517280 2.512172 3.173706 -1.033604 -0.981857 -1.093983 -1.103723 -0.955348 -1.063178 -1.068832 -0.951803 -0.735378 -1.073411 -1.072740 -0.952580 -1.179798 -0.951789 -1.068720 -0.751843 -0.947719 -0.943677 -1.045591 -1.056950 -0.944551 -1.149862 -1.046703 -0.820674 -0.604775 -1.153098 -0.945108 -1.048876 -0.810236 -0.983718 -0.967870 -0.978418 -0.844295 -0.807667 -0.989855 -0.803080 -0.850602 -0.809302 -0.816708 0.048160 0.065319 1.942057 1.563722 2.381739 2.370720 1.920410 1.954409 2.371169 1.959780 1.954431 1.947677 1.944854 2.344714 -0.746136 -0.718850 -0.849474 -0.852844 -0.708759 -0.828730 -0.832473 -0.714024 -0.805986 -0.815297 -0.802679 -0.720347 -0.915956 -0.710937 -0.812894 -0.637325 -0.778352 -0.753007 -0.843361 -0.853250 -0.764255 -0.919118 -0.852922 -0.711119 -0.762011 -0.942061 -0.772273 -0.839645 -0.707629 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May02-2024 10:46:00 Nodes: 1 Procs: 1 May02-2024 10:46:01 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 May02-2024 10:46:02 Nodes: 1 Procs: 1 May02-2024 10:46:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 May02-2024 10:46:02 Nodes: 1 Procs: 1 May02-2024 10:46:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 May02-2024 10:46:05 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -15.98779728 -16.43668662 -16.12637029 -16.45176010 -16.58318310 -16.61144662 -16.62527591 -16.62628393 -16.63268882 -16.63577462 -16.63902612 -16.64209332 -16.64357163 -16.64813891 -16.64924184 -16.65013929 -16.65035597 -16.65055853 -16.65069498 -16.65077240 -16.65083046 -16.65087532 -16.65091185 -16.65094687 -16.65098729 -16.65102051 -16.65103464 -16.65103962 -16.65104804 -16.65105458 -16.65106144 -16.65106431 -16.65106669 GEOMETRY CONVERGED