ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:26:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 2.71 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 Jun19-2024 22:26:31 Nodes: 1 Procs: 1 Jun19-2024 22:26:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:26:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.36 0.05 1.93 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 Jun19-2024 22:26:31 Nodes: 1 Procs: 1 Jun19-2024 22:26:34 Nodes: 1 Procs: 1 0 Jun19-2024 22:26:37 Nodes: 1 Procs: 1 Jun19-2024 22:26:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:26:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.46 0.07 3.58 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 Jun19-2024 22:26:31 Nodes: 1 Procs: 1 Jun19-2024 22:26:34 Nodes: 1 Procs: 1 0 Jun19-2024 22:26:37 Nodes: 1 Procs: 1 Jun19-2024 22:26:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:26:42 Nodes: 1 Procs: 1 Jun19-2024 22:26:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:26:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.06 1.45 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 Jun19-2024 22:26:31 Nodes: 1 Procs: 1 Jun19-2024 22:26:34 Nodes: 1 Procs: 1 0 Jun19-2024 22:26:37 Nodes: 1 Procs: 1 Jun19-2024 22:26:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:26:42 Nodes: 1 Procs: 1 Jun19-2024 22:26:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:26:50 Nodes: 1 Procs: 1 Jun19-2024 22:26:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:26:54 Hydrogen (TZP) c1-4 c1-4 c1-4 c1-4 c1-4 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.46 0.07 3.65 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 Jun19-2024 22:26:31 Nodes: 1 Procs: 1 Jun19-2024 22:26:34 Nodes: 1 Procs: 1 0 Jun19-2024 22:26:37 Nodes: 1 Procs: 1 Jun19-2024 22:26:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:26:42 Nodes: 1 Procs: 1 Jun19-2024 22:26:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:26:50 Nodes: 1 Procs: 1 Jun19-2024 22:26:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:26:54 Nodes: 1 Procs: 1 Jun19-2024 22:26:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:27:02 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2709.5698000000057 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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.Ta ADF 2019.304 Jun19-2024 22:26:45 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 22:26:39 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun19-2024 22:26:57 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 22:26:51 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:26:34 1 1 Hydrogen TZP 1 1 -16.87017606 0.22404348 0.00100000 F 0.09101826 0.00066667 F 0.22404348 0.09101826 0.29364200 0.01000000 F 0.07032246 0.00666667 F Cartesian 2709.5698000000057 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3.843057 0.204307 -3.789227 3.744468 -0.246991 -3.853099 -3.692365 0.232359 -3.866714 0.353074 -3.684099 -3.824577 -0.178904 3.781840 3.886244 0.155121 3.826053 -1.609861 -2.310610 -2.931445 -0.599086 -3.328043 -1.320792 1.164927 -1.978869 -2.465146 1 3 -3 0.154619 -2.595884 2.597187 Rho 0.3882646E+07 3,-3 2 3 -3 -0.060052 2.570961 2.587590 Rho 0.3882646E+07 3,-3 3 3 -3 2.595013 -0.166859 2.622265 Rho 0.3882647E+07 3,-3 4 3 -3 2.671985 0.039689 -2.571112 Rho 0.3882647E+07 3,-3 5 3 -3 -0.058842 -0.044112 -0.006121 Rho 0.4276084E+05 3,-3 6 3 -3 0.143300 2.474301 -2.555838 Rho 0.4361414E+07 3,-3 7 3 -3 2.543008 -2.637424 0.054811 Rho 0.4361415E+07 3,-3 8 3 -3 2.584987 2.547827 -0.064083 Rho 0.4361415E+07 3,-3 9 3 -3 -2.559811 2.563257 0.152268 Rho 0.4361414E+07 3,-3 10 3 -3 -2.600983 -2.500067 -0.054390 Rho 0.4361414E+07 3,-3 11 3 -3 -2.633751 -0.091896 -2.524040 Rho 0.4361415E+07 3,-3 12 3 -3 -2.550415 0.134016 2.622772 Rho 0.4361414E+07 3,-3 13 3 -3 0.942552 -1.006403 0.978748 Rho 0.3190246E+03 3,-3 14 3 -3 -1.113459 -0.961635 -0.963733 Rho 0.3190491E+03 3,-3 15 3 -3 0.963729 0.924487 -0.979064 Rho 0.3190210E+03 3,-3 16 3 -3 -0.993212 0.980855 1.017513 Rho 0.3189882E+03 3,-3 17 3 -3 -3.087292 -1.112737 1.169649 Rho 0.3188740E+03 3,-3 18 3 -3 3.156316 -1.203876 -1.128952 Rho 0.3188225E+03 3,-3 19 3 -3 -3.069768 1.117460 -1.110626 Rho 0.3188828E+03 3,-3 20 3 -3 3.079917 1.251346 1.173809 Rho 0.3188810E+03 3,-3 21 3 -3 1.398665 -1.327993 -3.191936 Rho 0.3186668E+03 3,-3 22 3 -3 1.200743 1.209457 3.091913 Rho 0.3188263E+03 3,-3 23 3 -3 -1.198419 1.068661 -3.002688 Rho 0.3188673E+03 3,-3 24 3 -3 -1.259039 -1.145695 3.055623 Rho 0.3188837E+03 3,-3 25 3 -3 -1.192547 2.913232 -1.161254 Rho 0.3188566E+03 3,-3 26 3 -3 -1.241789 -2.999882 1.137296 Rho 0.3188818E+03 3,-3 27 3 -3 1.148601 3.080696 1.094321 Rho 0.3188421E+03 3,-3 28 3 -3 1.221318 -3.053997 -1.128399 Rho 0.3190977E+03 3,-3 29 3 -3 3.420887 -1.562091 1.507095 Rho 0.3188920E+03 3,-3 30 3 -3 -3.514451 -1.518450 -1.498207 Rho 0.3189313E+03 3,-3 31 3 -3 3.426815 1.617590 -1.498436 Rho 0.3189174E+03 3,-3 32 3 -3 -3.463063 1.523028 1.513352 Rho 0.3189297E+03 3,-3 33 3 -3 1.503147 -1.539430 3.553199 Rho 0.3188579E+03 3,-3 34 3 -3 1.462162 1.475415 -3.463954 Rho 0.3189282E+03 3,-3 35 3 -3 -1.610899 1.544779 3.473725 Rho 0.3189194E+03 3,-3 36 3 -3 -1.870103 -1.577392 -3.555250 Rho 0.3187147E+03 3,-3 37 3 -3 -1.574875 -3.484847 -1.481080 Rho 0.3187072E+03 3,-3 38 3 -3 -1.594293 3.474178 1.479911 Rho 0.3189497E+03 3,-3 39 3 -3 1.550204 -3.492571 1.529542 Rho 0.3188750E+03 3,-3 40 3 -3 1.450584 3.402423 -1.545677 Rho 0.3189460E+03 3,-3 41 3 -3 -0.249063 -3.864410 3.798267 Rho 0.3191161E+03 3,-3 42 3 -3 3.983121 -0.107937 -3.784373 Rho 0.3191102E+03 3,-3 43 3 -3 -0.261324 3.680350 -3.757682 Rho 0.3192617E+03 3,-3 44 3 -3 0.211014 3.866844 3.797904 Rho 0.3191118E+03 3,-3 45 3 -3 3.776883 -3.863196 -0.225651 Rho 0.3191986E+03 3,-3 46 3 -3 3.735471 3.843057 0.204307 Rho 0.3192376E+03 3,-3 47 3 -3 -3.789227 3.744468 -0.246991 Rho 0.3192540E+03 3,-3 48 3 -3 -3.853099 -3.692365 0.232359 Rho 0.3192516E+03 3,-3 49 3 -3 -3.866714 0.353074 -3.684099 Rho 0.3192578E+03 3,-3 50 3 -3 -3.824577 -0.178904 3.781840 Rho 0.3192545E+03 3,-3 51 3 -3 3.886244 0.155121 3.826053 Rho 0.3191043E+03 3,-3 52 3 -3 -1.609861 -2.310610 -2.931445 Rho 0.4436028E+00 3,-3 53 3 -3 -0.599086 -3.328043 -1.320792 Rho 0.4387824E+00 3,-3 54 3 -3 1.164927 -1.978869 -2.465146 Rho 0.4356410E+00 3,-3 55 3 -1 1.739868 1.704232 -0.513497 Rho 0.3940015E-01 |GRAD(Rho)| 0.6755093E-12 GRAD(Rho)x -0.1813458E-12 GRAD(Rho)y -0.6354168E-12 GRAD(Rho)z 0.1402568E-12 Laplacian 0.1538949E+00 (-1/4)Del**2(Rho)) -0.3847372E-01 Diamond 0.5521737E-01 Metallicity 0.2042766E+01 Ellipticity 0.3417241E-01 Gb(Abramov) 0.3874795E-01 Vb(Abramov) -0.3902218E-01 Hb(Abramov) -0.2742298E-03 Ex_ueg -0.9901831E-02 Ec_ueg -0.1837929E-02 Delta_ex -0.1186444E-01 Delta_ec 0.4465137E-02 Delta_et -0.4418178E-01 Pxc 0.5387493E+01 Qxc -0.2657128E+01 3,-1 56 3 +3 -2.363091 0.073708 0.103716 Rho 0.5060732E-02 |GRAD(Rho)| 0.6101574E-16 GRAD(Rho)x 0.5616804E-16 GRAD(Rho)y -0.1972589E-16 GRAD(Rho)z -0.1337764E-16 Laplacian 0.2110845E-01 (-1/4)Del**2(Rho)) -0.5277112E-02 Diamond 0.1979658E-03 Metallicity 0.4869815E+00 Ellipticity -0.3888121E+00 Gb(Abramov) 0.3946384E-02 Vb(Abramov) -0.2615656E-02 Hb(Abramov) 0.1330728E-02 Ex_ueg -0.6417061E-03 Ec_ueg -0.1495273E-03 Delta_ex -0.7756824E-03 Delta_ec 0.1714546E-03 Delta_et -0.1133671E-02 Pxc 0.4291565E+01 Qxc -0.4524126E+01 3,+3 57 3 -1 -1.820237 -1.690596 -0.496439 Rho 0.5545152E-01 |GRAD(Rho)| 0.1669350E-15 GRAD(Rho)x -0.1404313E-15 GRAD(Rho)y -0.8479647E-16 GRAD(Rho)z 0.3091797E-16 Laplacian 0.2216238E+00 (-1/4)Del**2(Rho)) -0.5540595E-01 Diamond 0.1285186E+00 Metallicity 0.2507183E+01 Ellipticity 0.1625032E-01 Gb(Abramov) 0.6008943E-01 Vb(Abramov) -0.6477292E-01 Hb(Abramov) -0.4683488E-02 Ex_ueg -0.1561720E-01 Ec_ueg -0.2718358E-02 Delta_ex -0.1869579E-01 Delta_ec 0.6544698E-02 Delta_et -0.7086633E-01 Pxc 0.5745084E+01 Qxc -0.2856631E+01 3,-1 58 3 -1 -3.067837 -1.968826 -0.822753 Rho 0.1336529E+00 |GRAD(Rho)| 0.3695106E-15 GRAD(Rho)x 0.2198830E-15 GRAD(Rho)y -0.1265535E-15 GRAD(Rho)z 0.2686517E-15 Laplacian 0.5329885E+00 (-1/4)Del**2(Rho)) -0.1332471E+00 Diamond 0.9388853E+00 Metallicity 0.4517095E+01 Ellipticity 0.5347815E-01 Gb(Abramov) 0.1891464E+00 Vb(Abramov) -0.2450457E+00 Hb(Abramov) -0.5589929E-01 Ex_ueg -0.5046879E-01 Ec_ueg -0.7405426E-02 Delta_ex -0.5563298E-01 Delta_ec 0.1388062E-01 Delta_et -0.1815774E+00 Pxc 0.6815109E+01 Qxc -0.4007959E+01 3,-1 59 3 -1 -1.743172 1.734777 0.573588 Rho 0.4788097E-01 |GRAD(Rho)| 0.4661811E-15 GRAD(Rho)x 0.1456058E-15 GRAD(Rho)y -0.2836345E-15 GRAD(Rho)z -0.3401106E-15 Laplacian 0.1914955E+00 (-1/4)Del**2(Rho)) -0.4787387E-01 Diamond 0.9026059E-01 Metallicity 0.2271919E+01 Ellipticity 0.1424297E-01 Gb(Abramov) 0.5004350E-01 Vb(Abramov) -0.5221314E-01 Hb(Abramov) -0.2169639E-02 Ex_ueg -0.1284110E-01 Ec_ueg -0.2298081E-02 Delta_ex -0.1553409E-01 Delta_ec 0.5604612E-02 Delta_et -0.5840720E-01 Pxc 0.5587751E+01 Qxc -0.2771663E+01 3,-1 60 3 -1 -3.223696 3.201041 -0.062515 Rho 0.2351693E+00 |GRAD(Rho)| 0.1014367E-10 GRAD(Rho)x -0.7118740E-11 GRAD(Rho)y 0.6843882E-11 GRAD(Rho)z -0.2319257E-11 Laplacian 0.8674668E+00 (-1/4)Del**2(Rho)) -0.2168667E+00 Diamond 0.2986200E+01 Metallicity 0.7117506E+01 Ellipticity 0.1826122E-02 Gb(Abramov) 0.4018362E+00 Vb(Abramov) -0.5868056E+00 Hb(Abramov) -0.1849695E+00 Ex_ueg -0.1072077E+00 Ec_ueg -0.1410582E-01 Delta_ex -0.1042115E+00 Delta_ec 0.1920404E-01 Delta_et -0.2654908E+00 Pxc 0.7600244E+01 Qxc -0.5426540E+01 3,-1 61 3 -1 -2.843447 -1.757637 0.600298 Rho 0.1505366E+00 |GRAD(Rho)| 0.4584691E-15 GRAD(Rho)x -0.1262960E-15 GRAD(Rho)y 0.4009109E-15 GRAD(Rho)z 0.1830675E-15 Laplacian 0.6253908E+00 (-1/4)Del**2(Rho)) -0.1563477E+00 Diamond 0.1268118E+01 Metallicity 0.4693878E+01 Ellipticity 0.1799464E-01 Gb(Abramov) 0.2265446E+00 Vb(Abramov) -0.2967416E+00 Hb(Abramov) -0.7019693E-01 Ex_ueg -0.5914361E-01 Ec_ueg -0.8477872E-02 Delta_ex -0.6717363E-01 Delta_ec 0.1577063E-01 Delta_et -0.2098501E+00 Pxc 0.6976232E+01 Qxc -0.4259414E+01 3,-1 62 3 +1 -0.568363 -0.579195 1.699788 Rho 0.8256936E-02 |GRAD(Rho)| 0.9459363E-11 GRAD(Rho)x 0.2281139E-11 GRAD(Rho)y -0.8614166E-11 GRAD(Rho)z 0.3173655E-11 Laplacian 0.3153853E-01 (-1/4)Del**2(Rho)) -0.7884632E-02 Diamond 0.8001708E-03 Metallicity 0.7370042E+00 Ellipticity -0.1453811E+01 Gb(Abramov) 0.6224923E-02 Vb(Abramov) -0.4565213E-02 Hb(Abramov) 0.1659710E-02 Ex_ueg -0.1232566E-02 Ec_ueg -0.2896567E-03 Delta_ex -0.1426866E-02 Delta_ec 0.4452401E-03 Delta_et -0.3010281E-02 Pxc 0.4255266E+01 Qxc -0.3204712E+01 3,+1 63 3 -1 -3.084246 -0.849429 -1.969056 Rho 0.1367535E+00 |GRAD(Rho)| 0.1851267E-12 GRAD(Rho)x 0.6773767E-13 GRAD(Rho)y 0.1388618E-12 GRAD(Rho)z -0.1019848E-12 Laplacian 0.5212346E+00 (-1/4)Del**2(Rho)) -0.1303087E+00 Diamond 0.9536295E+00 Metallicity 0.4798928E+01 Ellipticity 0.2040994E-01 Gb(Abramov) 0.1910961E+00 Vb(Abramov) -0.2518835E+00 Hb(Abramov) -0.6078743E-01 Ex_ueg -0.5203592E-01 Ec_ueg -0.7601021E-02 Delta_ex -0.5481995E-01 Delta_ec 0.1369665E-01 Delta_et -0.1802095E+00 Pxc 0.6845912E+01 Qxc -0.4002434E+01 3,-1 64 3 +1 -2.990220 -0.207176 -0.179565 Rho 0.6157699E-02 |GRAD(Rho)| 0.1547172E-16 GRAD(Rho)x 0.1225053E-16 GRAD(Rho)y 0.7831151E-17 GRAD(Rho)z 0.5288830E-17 Laplacian 0.2586905E-01 (-1/4)Del**2(Rho)) -0.6467262E-02 Diamond 0.7060424E-03 Metallicity 0.5510573E+00 Ellipticity -0.2209766E+01 Gb(Abramov) 0.4905480E-02 Vb(Abramov) -0.3343698E-02 Hb(Abramov) 0.1561782E-02 Ex_ueg -0.8335717E-03 Ec_ueg -0.1970685E-03 Delta_ex -0.1274845E-02 Delta_ec 0.6986918E-03 Delta_et -0.4084357E-02 Pxc 0.4229857E+01 Qxc -0.1824618E+01 3,+1 65 3 +3 0.963624 -1.132803 -1.288092 Rho 0.4016462E-02 |GRAD(Rho)| 0.5174943E-17 GRAD(Rho)x -0.2204820E-17 GRAD(Rho)y -0.3078680E-17 GRAD(Rho)z 0.3527113E-17 Laplacian 0.1518890E-01 (-1/4)Del**2(Rho)) -0.3797224E-02 Diamond 0.1127796E-03 Metallicity 0.4604258E+00 Ellipticity -0.6734497E+00 Gb(Abramov) 0.2822873E-02 Vb(Abramov) -0.1848521E-02 Hb(Abramov) 0.9743513E-03 Ex_ueg -0.4715306E-03 Ec_ueg -0.1048358E-03 Delta_ex -0.5365014E-03 Delta_ec 0.1427374E-03 Delta_et -0.8638784E-03 Pxc 0.4497801E+01 Qxc -0.3758659E+01 3,+3 66 3 -1 -3.010674 -0.023758 0.002628 Rho 0.6229298E-02 |GRAD(Rho)| 0.1062027E-15 GRAD(Rho)x 0.8779338E-16 GRAD(Rho)y 0.2566766E-16 GRAD(Rho)z 0.5396764E-16 Laplacian 0.2498770E-01 (-1/4)Del**2(Rho)) -0.6246924E-02 Diamond 0.9032599E-03 Metallicity 0.5815924E+00 Ellipticity 0.1631896E+01 Gb(Abramov) 0.4770143E-02 Vb(Abramov) -0.3293363E-02 Hb(Abramov) 0.1476781E-02 Ex_ueg -0.8465199E-03 Ec_ueg -0.2001921E-03 Delta_ex -0.1380242E-02 Delta_ec 0.9352851E-03 Delta_et -0.5367033E-02 Pxc 0.4228537E+01 Qxc -0.1475745E+01 3,-1 67 3 -1 -2.819656 -0.526061 1.847713 Rho 0.1245153E+00 |GRAD(Rho)| 0.3622743E-15 GRAD(Rho)x 0.3137579E-15 GRAD(Rho)y -0.8893168E-16 GRAD(Rho)z -0.1577650E-15 Laplacian 0.5164476E+00 (-1/4)Del**2(Rho)) -0.1291119E+00 Diamond 0.8382202E+00 Metallicity 0.4142778E+01 Ellipticity 0.8838934E-02 Gb(Abramov) 0.1752216E+00 Vb(Abramov) -0.2213313E+00 Hb(Abramov) -0.4610970E-01 Ex_ueg -0.4592145E-01 Ec_ueg -0.6832695E-02 Delta_ex -0.5302877E-01 Delta_ec 0.1374029E-01 Delta_et -0.1777855E+00 Pxc 0.6720840E+01 Qxc -0.3859363E+01 3,-1 68 3 +1 -1.817077 -1.738690 1.777292 Rho 0.1187985E-01 |GRAD(Rho)| 0.3089102E-14 GRAD(Rho)x 0.2369181E-14 GRAD(Rho)y -0.7544816E-15 GRAD(Rho)z 0.1833109E-14 Laplacian 0.5828161E-01 (-1/4)Del**2(Rho)) -0.1457040E-01 Diamond 0.2279796E-02 Metallicity 0.7313068E+00 Ellipticity -0.1268552E+01 Gb(Abramov) 0.1148951E-01 Vb(Abramov) -0.8408612E-02 Hb(Abramov) 0.3080895E-02 Ex_ueg -0.2002009E-02 Ec_ueg -0.4540251E-03 Delta_ex -0.2850309E-02 Delta_ec 0.7441793E-03 Delta_et -0.5575895E-02 Pxc 0.4409469E+01 Qxc -0.3830137E+01 3,+1 69 3 +1 -0.598857 -1.654464 0.569326 Rho 0.9085570E-02 |GRAD(Rho)| 0.4536519E-14 GRAD(Rho)x 0.1454395E-14 GRAD(Rho)y -0.1267538E-14 GRAD(Rho)z 0.4105860E-14 Laplacian 0.3437448E-01 (-1/4)Del**2(Rho)) -0.8593620E-02 Diamond 0.1010223E-02 Metallicity 0.7930441E+00 Ellipticity -0.1532414E+01 Gb(Abramov) 0.6864933E-02 Vb(Abramov) -0.5136246E-02 Hb(Abramov) 0.1728687E-02 Ex_ueg -0.1400193E-02 Ec_ueg -0.3267578E-03 Delta_ex -0.1600269E-02 Delta_ec 0.4977497E-03 Delta_et -0.3439185E-02 Pxc 0.4285110E+01 Qxc -0.3215007E+01 3,+1 70 3 +3 -0.001395 2.275561 -0.000629 Rho 0.4656625E-02 |GRAD(Rho)| 0.3483720E-15 GRAD(Rho)x -0.2308086E-15 GRAD(Rho)y 0.1913090E-15 GRAD(Rho)z 0.1774577E-15 Laplacian 0.1893825E-01 (-1/4)Del**2(Rho)) -0.4734563E-02 Diamond 0.1603203E-03 Metallicity 0.4724893E+00 Ellipticity -0.2920143E+00 Gb(Abramov) 0.3529214E-02 Vb(Abramov) -0.2323864E-02 Hb(Abramov) 0.1205349E-02 Ex_ueg -0.5743104E-03 Ec_ueg -0.1321660E-03 Delta_ex -0.6827234E-03 Delta_ec 0.1569601E-03 Delta_et -0.1013319E-02 Pxc 0.4345371E+01 Qxc -0.4349663E+01 3,+3 71 3 -1 -2.815834 1.791374 -0.516366 Rho 0.1247228E+00 |GRAD(Rho)| 0.3778412E-15 GRAD(Rho)x 0.1464012E-16 GRAD(Rho)y 0.2658870E-15 GRAD(Rho)z 0.2680554E-15 Laplacian 0.5236628E+00 (-1/4)Del**2(Rho)) -0.1309157E+00 Diamond 0.8516796E+00 Metallicity 0.4097052E+01 Ellipticity 0.1448952E-01 Gb(Abramov) 0.1766719E+00 Vb(Abramov) -0.2224280E+00 Hb(Abramov) -0.4575617E-01 Ex_ueg -0.4602351E-01 Ec_ueg -0.6845638E-02 Delta_ex -0.5379166E-01 Delta_ec 0.1392783E-01 Delta_et -0.1802647E+00 Pxc 0.6723041E+01 Qxc -0.3862171E+01 3,-1 72 3 +1 -3.025505 0.222839 0.247171 Rho 0.6065886E-02 |GRAD(Rho)| 0.2367884E-12 GRAD(Rho)x 0.5648987E-13 GRAD(Rho)y -0.2165287E-12 GRAD(Rho)z 0.7741438E-13 Laplacian 0.2534292E-01 (-1/4)Del**2(Rho)) -0.6335729E-02 Diamond 0.6528807E-03 Metallicity 0.5485889E+00 Ellipticity -0.1943464E+01 Gb(Abramov) 0.4803104E-02 Vb(Abramov) -0.3270480E-02 Hb(Abramov) 0.1532625E-02 Ex_ueg -0.8170414E-03 Ec_ueg -0.1930667E-03 Delta_ex -0.1227106E-02 Delta_ec 0.6525282E-03 Delta_et -0.3812364E-02 Pxc 0.4231912E+01 Qxc -0.1880542E+01 3,+1 73 3 +1 -2.204076 1.178352 1.314340 Rho 0.2824031E-01 |GRAD(Rho)| 0.8340917E-14 GRAD(Rho)x -0.6685446E-14 GRAD(Rho)y 0.2304944E-14 GRAD(Rho)z -0.4423003E-14 Laplacian 0.1130206E+00 (-1/4)Del**2(Rho)) -0.2825515E-01 Diamond 0.1818629E-01 Metallicity 0.1596754E+01 Ellipticity -0.5568816E+01 Gb(Abramov) 0.2635619E-01 Vb(Abramov) -0.2445723E-01 Hb(Abramov) 0.1898963E-02 Ex_ueg -0.6351521E-02 Ec_ueg -0.1253203E-02 Delta_ex -0.7327655E-02 Delta_ec 0.2033712E-02 Delta_et -0.1847333E-01 Pxc 0.5068230E+01 Qxc -0.3603093E+01 3,+1 74 3 +1 -1.802345 1.676463 -1.748183 Rho 0.1235640E-01 |GRAD(Rho)| 0.2027485E-16 GRAD(Rho)x 0.1143063E-16 GRAD(Rho)y 0.1050674E-16 GRAD(Rho)z -0.1303913E-16 Laplacian 0.6152470E-01 (-1/4)Del**2(Rho)) -0.1538118E-01 Diamond 0.2529105E-02 Metallicity 0.7396913E+00 Ellipticity -0.1259225E+01 Gb(Abramov) 0.1215034E-01 Vb(Abramov) -0.8919499E-02 Hb(Abramov) 0.3230838E-02 Ex_ueg -0.2109800E-02 Ec_ueg -0.4760468E-03 Delta_ex -0.3037340E-02 Delta_ec 0.7801373E-03 Delta_et -0.5905651E-02 Pxc 0.4431917E+01 Qxc -0.3893340E+01 3,+1 75 3 -1 -3.024280 1.997673 0.875422 Rho 0.1459335E+00 |GRAD(Rho)| 0.1177358E-15 GRAD(Rho)x -0.6730185E-16 GRAD(Rho)y 0.8336159E-16 GRAD(Rho)z 0.4881620E-16 Laplacian 0.5658065E+00 (-1/4)Del**2(Rho)) -0.1414516E+00 Diamond 0.1112945E+01 Metallicity 0.4926482E+01 Ellipticity 0.4056964E-01 Gb(Abramov) 0.2104442E+00 Vb(Abramov) -0.2794368E+00 Hb(Abramov) -0.6899261E-01 Ex_ueg -0.5674467E-01 Ec_ueg -0.8183710E-02 Delta_ex -0.6039081E-01 Delta_ec 0.1451966E-01 Delta_et -0.1926814E+00 Pxc 0.6933856E+01 Qxc -0.4159243E+01 3,-1 76 3 +1 -2.292044 -1.183192 -1.239014 Rho 0.3065326E-01 |GRAD(Rho)| 0.9881422E-17 GRAD(Rho)x -0.1466856E-17 GRAD(Rho)y -0.2991776E-17 GRAD(Rho)z -0.9302694E-17 Laplacian 0.1277730E+00 (-1/4)Del**2(Rho)) -0.3194324E-01 Diamond 0.2350006E-01 Metallicity 0.1619205E+01 Ellipticity -0.6646410E+01 Gb(Abramov) 0.2991594E-01 Vb(Abramov) -0.2788864E-01 Hb(Abramov) 0.2027304E-02 Ex_ueg -0.7085229E-02 Ec_ueg -0.1377352E-02 Delta_ex -0.8507806E-02 Delta_ec 0.2370609E-02 Delta_et -0.2196205E-01 Pxc 0.5144095E+01 Qxc -0.3588869E+01 3,+1 77 3 -1 -2.222440 -0.890026 -3.046748 Rho 0.1394573E+00 |GRAD(Rho)| 0.4457396E-15 GRAD(Rho)x 0.1500265E-15 GRAD(Rho)y -0.3658505E-15 GRAD(Rho)z -0.2057409E-15 Laplacian 0.5236942E+00 (-1/4)Del**2(Rho)) -0.1309235E+00 Diamond 0.9901840E+00 Metallicity 0.4934815E+01 Ellipticity 0.1166834E+00 Gb(Abramov) 0.1949629E+00 Vb(Abramov) -0.2590023E+00 Hb(Abramov) -0.6403939E-01 Ex_ueg -0.5341215E-01 Ec_ueg -0.7772084E-02 Delta_ex -0.5544227E-01 Delta_ec 0.1387776E-01 Delta_et -0.1835207E+00 Pxc 0.6872308E+01 Qxc -0.3995044E+01 3,-1 78 3 +1 -1.738974 -0.484156 0.595815 Rho 0.9155538E-02 |GRAD(Rho)| 0.1456879E-16 GRAD(Rho)x -0.1050480E-16 GRAD(Rho)y -0.5892620E-17 GRAD(Rho)z 0.8196096E-17 Laplacian 0.3542324E-01 (-1/4)Del**2(Rho)) -0.8855811E-02 Diamond 0.1003744E-02 Metallicity 0.7794673E+00 Ellipticity -0.1448780E+01 Gb(Abramov) 0.7054343E-02 Vb(Abramov) -0.5252876E-02 Hb(Abramov) 0.1801468E-02 Ex_ueg -0.1414589E-02 Ec_ueg -0.3299044E-03 Delta_ex -0.1632302E-02 Delta_ec 0.4772308E-03 Delta_et -0.3331568E-02 Pxc 0.4287875E+01 Qxc -0.3420361E+01 3,+1 79 3 +1 -0.565003 1.597784 -0.533652 Rho 0.9147815E-02 |GRAD(Rho)| 0.5196360E-15 GRAD(Rho)x 0.4141338E-15 GRAD(Rho)y -0.2594359E-15 GRAD(Rho)z -0.1766571E-15 Laplacian 0.3542486E-01 (-1/4)Del**2(Rho)) -0.8856216E-02 Diamond 0.1035152E-02 Metallicity 0.7783362E+00 Ellipticity -0.1484229E+01 Gb(Abramov) 0.7052996E-02 Vb(Abramov) -0.5249777E-02 Hb(Abramov) 0.1803220E-02 Ex_ueg -0.1412998E-02 Ec_ueg -0.3295570E-03 Delta_ex -0.1645517E-02 Delta_ec 0.5013442E-03 Delta_et -0.3479118E-02 Pxc 0.4287568E+01 Qxc -0.3282210E+01 3,+1 80 3 +3 1.132775 1.083021 1.124904 Rho 0.4487276E-02 |GRAD(Rho)| 0.6467784E-17 GRAD(Rho)x 0.4959915E-17 GRAD(Rho)y 0.1929948E-17 GRAD(Rho)z 0.3675157E-17 Laplacian 0.1665618E-01 (-1/4)Del**2(Rho)) -0.4164046E-02 Diamond 0.1018174E-03 Metallicity 0.5050593E+00 Ellipticity -0.1509271E+00 Gb(Abramov) 0.3126546E-02 Vb(Abramov) -0.2089045E-02 Hb(Abramov) 0.1037500E-02 Ex_ueg -0.5466325E-03 Ec_ueg -0.1249154E-03 Delta_ex -0.5601105E-03 Delta_ec 0.7625987E-04 Delta_et -0.5840196E-03 Pxc 0.4376023E+01 Qxc -0.7344761E+01 3,+3 81 3 +3 -1.156110 -1.103092 1.182666 Rho 0.5237353E-02 |GRAD(Rho)| 0.4910445E-14 GRAD(Rho)x 0.2855836E-14 GRAD(Rho)y 0.2516224E-14 GRAD(Rho)z -0.3102465E-14 Laplacian 0.2006506E-01 (-1/4)Del**2(Rho)) -0.5016265E-02 Diamond 0.1462803E-03 Metallicity 0.5424492E+00 Ellipticity -0.2137172E+00 Gb(Abramov) 0.3797688E-02 Vb(Abramov) -0.2579111E-02 Hb(Abramov) 0.1218577E-02 Ex_ueg -0.6717394E-03 Ec_ueg -0.1571413E-03 Delta_ex -0.6995813E-03 Delta_ec 0.8365634E-04 Delta_et -0.6811277E-03 Pxc 0.4274747E+01 Qxc -0.8362562E+01 3,+3 82 3 -1 -1.739458 0.546217 1.782447 Rho 0.4756388E-01 |GRAD(Rho)| 0.3644546E-16 GRAD(Rho)x 0.2055749E-16 GRAD(Rho)y 0.1475955E-16 GRAD(Rho)z 0.2622626E-16 Laplacian 0.1894370E+00 (-1/4)Del**2(Rho)) -0.4735925E-01 Diamond 0.8856011E-01 Metallicity 0.2271314E+01 Ellipticity 0.1414445E-01 Gb(Abramov) 0.4950079E-01 Vb(Abramov) -0.5164233E-01 Hb(Abramov) -0.2141540E-02 Ex_ueg -0.1272784E-01 Ec_ueg -0.2280663E-02 Delta_ex -0.1534477E-01 Delta_ec 0.5550637E-02 Delta_et -0.5774571E-01 Pxc 0.5580763E+01 Qxc -0.2764507E+01 3,-1 83 3 +1 -0.248622 -0.535147 -3.082164 Rho 0.2878614E-02 |GRAD(Rho)| 0.1640275E-14 GRAD(Rho)x -0.1630959E-14 GRAD(Rho)y 0.5266729E-17 GRAD(Rho)z 0.1744924E-15 Laplacian 0.1085569E-01 (-1/4)Del**2(Rho)) -0.2713923E-02 Diamond 0.9649724E-04 Metallicity 0.3697670E+00 Ellipticity -0.1417743E+01 Gb(Abramov) 0.1976535E-02 Vb(Abramov) -0.1239147E-02 Hb(Abramov) 0.7373878E-03 Ex_ueg -0.3024333E-03 Ec_ueg -0.5679532E-04 Delta_ex -0.4405355E-03 Delta_ec 0.2581966E-03 Delta_et -0.1221550E-02 Pxc 0.5324969E+01 Qxc -0.1706202E+01 3,+1 84 3 +1 -1.735416 0.571228 -0.447581 Rho 0.9225898E-02 |GRAD(Rho)| 0.1699159E-16 GRAD(Rho)x 0.1304948E-16 GRAD(Rho)y -0.1017178E-16 GRAD(Rho)z 0.3867849E-17 Laplacian 0.3625756E-01 (-1/4)Del**2(Rho)) -0.9064389E-02 Diamond 0.1045773E-02 Metallicity 0.7713102E+00 Ellipticity -0.1442535E+01 Gb(Abramov) 0.7208169E-02 Vb(Abramov) -0.5351948E-02 Hb(Abramov) 0.1856220E-02 Ex_ueg -0.1429102E-02 Ec_ueg -0.3330708E-03 Delta_ex -0.1677147E-02 Delta_ec 0.4940346E-03 Delta_et -0.3450946E-02 Pxc 0.4290686E+01 Qxc -0.3394797E+01 3,+1 85 3 -1 -2.039615 0.888069 3.061377 Rho 0.1614567E+00 |GRAD(Rho)| 0.2530241E-15 GRAD(Rho)x -0.2273030E-15 GRAD(Rho)y -0.5995638E-16 GRAD(Rho)z -0.9359375E-16 Laplacian 0.6270566E+00 (-1/4)Del**2(Rho)) -0.1567642E+00 Diamond 0.1385436E+01 Metallicity 0.5260980E+01 Ellipticity 0.3960901E-01 Gb(Abramov) 0.2419649E+00 Vb(Abramov) -0.3271657E+00 Hb(Abramov) -0.8520079E-01 Ex_ueg -0.6493217E-01 Ec_ueg -0.9180898E-02 Delta_ex -0.6855073E-01 Delta_ec 0.1557433E-01 Delta_et -0.2092459E+00 Pxc 0.7072529E+01 Qxc -0.4401520E+01 3,-1 86 3 +3 -0.222122 -0.561352 -2.705780 Rho 0.2784150E-02 |GRAD(Rho)| 0.1546425E-17 GRAD(Rho)x 0.2092889E-18 GRAD(Rho)y -0.1146081E-17 GRAD(Rho)z -0.1016920E-17 Laplacian 0.1077117E-01 (-1/4)Del**2(Rho)) -0.2692793E-02 Diamond 0.7112384E-04 Metallicity 0.3525097E+00 Ellipticity -0.6541959E+00 Gb(Abramov) 0.1953402E-02 Vb(Abramov) -0.1214010E-02 Hb(Abramov) 0.7393918E-03 Ex_ueg -0.2892734E-03 Ec_ueg -0.5283866E-04 Delta_ex -0.3928608E-03 Delta_ec 0.1822507E-03 Delta_et -0.8943995E-03 Pxc 0.5474654E+01 Qxc -0.2155606E+01 3,+3 87 3 +1 -0.227078 2.925480 0.183670 Rho 0.5560534E-02 |GRAD(Rho)| 0.6649686E-16 GRAD(Rho)x -0.2704904E-16 GRAD(Rho)y -0.1363298E-16 GRAD(Rho)z 0.5919732E-16 Laplacian 0.2253076E-01 (-1/4)Del**2(Rho)) -0.5632689E-02 Diamond 0.5439290E-03 Metallicity 0.5337831E+00 Ellipticity -0.2279049E+01 Gb(Abramov) 0.4256232E-02 Vb(Abramov) -0.2879775E-02 Hb(Abramov) 0.1376457E-02 Ex_ueg -0.7275682E-03 Ec_ueg -0.1711140E-03 Delta_ex -0.1093474E-02 Delta_ec 0.6199868E-03 Delta_et -0.3511806E-02 Pxc 0.4251949E+01 Qxc -0.1763705E+01 3,+1 88 3 -1 -0.233736 -1.447793 -3.347308 Rho 0.4848040E-02 |GRAD(Rho)| 0.1585746E-11 GRAD(Rho)x 0.1485003E-11 GRAD(Rho)y 0.4690232E-12 GRAD(Rho)z 0.2989511E-12 Laplacian 0.1741698E-01 (-1/4)Del**2(Rho)) -0.4354246E-02 Diamond 0.5556880E-03 Metallicity 0.5494361E+00 Ellipticity 0.1130757E+00 Gb(Abramov) 0.3301560E-02 Vb(Abramov) -0.2248875E-02 Hb(Abramov) 0.1052685E-02 Ex_ueg -0.6060009E-03 Ec_ueg -0.1403792E-03 Delta_ex -0.1021470E-02 Delta_ec 0.8352627E-03 Delta_et -0.4377974E-02 Pxc 0.4316885E+01 Qxc -0.1222932E+01 3,-1 89 3 -1 -2.041579 -3.005472 -0.801068 Rho 0.1241157E+00 |GRAD(Rho)| 0.5232514E-14 GRAD(Rho)x -0.3053174E-14 GRAD(Rho)y 0.2155177E-14 GRAD(Rho)z 0.3662313E-14 Laplacian 0.4477056E+00 (-1/4)Del**2(Rho)) -0.1119264E+00 Diamond 0.7366636E+00 Metallicity 0.4753333E+01 Ellipticity 0.8595439E-01 Gb(Abramov) 0.1632882E+00 Vb(Abramov) -0.2146499E+00 Hb(Abramov) -0.5136177E-01 Ex_ueg -0.4572501E-01 Ec_ueg -0.6807770E-02 Delta_ex -0.4609933E-01 Delta_ec 0.1221388E-01 Delta_et -0.1584571E+00 Pxc 0.6716591E+01 Qxc -0.3774340E+01 3,-1 90 3 -1 -1.619656 -2.698276 -2.423773 Rho 0.3247646E-01 |GRAD(Rho)| 0.4568070E-16 GRAD(Rho)x 0.2638919E-18 GRAD(Rho)y -0.3199221E-16 GRAD(Rho)z 0.3260606E-16 Laplacian 0.9479435E-01 (-1/4)Del**2(Rho)) -0.2369859E-01 Diamond 0.3958904E-01 Metallicity 0.2403137E+01 Ellipticity 0.2394538E-01 Gb(Abramov) 0.2529088E-01 Vb(Abramov) -0.2688318E-01 Hb(Abramov) -0.1592297E-02 Ex_ueg -0.7652617E-02 Ec_ueg -0.1472039E-02 Delta_ex -0.7997108E-02 Delta_ec 0.4592078E-02 Delta_et -0.4309604E-01 Pxc 0.5198650E+01 Qxc -0.1741501E+01 3,-1 91 3 +1 -2.234305 -2.171138 -2.069727 Rho 0.1214433E-01 |GRAD(Rho)| 0.2597268E-16 GRAD(Rho)x -0.1736809E-16 GRAD(Rho)y 0.1774106E-16 GRAD(Rho)z -0.7627829E-17 Laplacian 0.5421637E-01 (-1/4)Del**2(Rho)) -0.1355409E-01 Diamond 0.1997878E-02 Metallicity 0.8155280E+00 Ellipticity -0.1284378E+01 Gb(Abramov) 0.1087835E-01 Vb(Abramov) -0.8202612E-02 Hb(Abramov) 0.2675741E-02 Ex_ueg -0.2061658E-02 Ec_ueg -0.4662361E-03 Delta_ex -0.2613528E-02 Delta_ec 0.5968401E-03 Delta_et -0.4570019E-02 Pxc 0.4421919E+01 Qxc -0.4378942E+01 3,+1 92 3 -1 -1.869622 -2.754435 0.581531 Rho 0.1663489E+00 |GRAD(Rho)| 0.2567075E-15 GRAD(Rho)x -0.1899793E-15 GRAD(Rho)y -0.5862823E-16 GRAD(Rho)z 0.1623864E-15 Laplacian 0.6919448E+00 (-1/4)Del**2(Rho)) -0.1729862E+00 Diamond 0.1575320E+01 Metallicity 0.5010813E+01 Ellipticity 0.1125718E-01 Gb(Abramov) 0.2597911E+00 Vb(Abramov) -0.3465959E+00 Hb(Abramov) -0.8680487E-01 Ex_ueg -0.6756861E-01 Ec_ueg -0.9498165E-02 Delta_ex -0.7612779E-01 Delta_ec 0.1691158E-01 Delta_et -0.2276589E+00 Pxc 0.7113859E+01 Qxc -0.4501520E+01 3,-1 93 3 +3 -1.882410 -1.918318 -1.906223 Rho 0.1098023E-01 |GRAD(Rho)| 0.2705056E-15 GRAD(Rho)x 0.2241605E-15 GRAD(Rho)y 0.1394456E-15 GRAD(Rho)z 0.5899381E-16 Laplacian 0.5033932E-01 (-1/4)Del**2(Rho)) -0.1258483E-01 Diamond 0.1004065E-02 Metallicity 0.7425487E+00 Ellipticity -0.6172454E+00 Gb(Abramov) 0.9947362E-02 Vb(Abramov) -0.7309893E-02 Hb(Abramov) 0.2637469E-02 Ex_ueg -0.1802466E-02 Ec_ueg -0.4126999E-03 Delta_ex -0.2162955E-02 Delta_ec 0.1992831E-03 Delta_et -0.1826706E-02 Pxc 0.4367497E+01 Qxc -0.1085368E+02 3,+3 94 3 +1 1.720829 -0.580736 -0.537755 Rho 0.7313476E-02 |GRAD(Rho)| 0.1954355E-12 GRAD(Rho)x -0.9611375E-13 GRAD(Rho)y 0.1170782E-12 GRAD(Rho)z -0.1234903E-12 Laplacian 0.2779747E-01 (-1/4)Del**2(Rho)) -0.6949367E-02 Diamond 0.5926861E-03 Metallicity 0.6830948E+00 Ellipticity -0.1402465E+01 Gb(Abramov) 0.5424091E-02 Vb(Abramov) -0.3898814E-02 Hb(Abramov) 0.1525276E-02 Ex_ueg -0.1048456E-02 Ec_ueg -0.2477905E-03 Delta_ex -0.1217022E-02 Delta_ec 0.3872109E-03 Delta_et -0.2541356E-02 Pxc 0.4231219E+01 Qxc -0.3143047E+01 3,+1 95 3 +3 -1.167789 1.071765 -1.108320 Rho 0.5413907E-02 |GRAD(Rho)| 0.2212734E-16 GRAD(Rho)x -0.1269982E-16 GRAD(Rho)y 0.1312145E-16 GRAD(Rho)z -0.1249647E-16 Laplacian 0.2133302E-01 (-1/4)Del**2(Rho)) -0.5333254E-02 Diamond 0.1674138E-03 Metallicity 0.5391946E+00 Ellipticity -0.2412286E+00 Gb(Abramov) 0.4034780E-02 Vb(Abramov) -0.2736305E-02 Hb(Abramov) 0.1298474E-02 Ex_ueg -0.7021007E-03 Ec_ueg -0.1647681E-03 Delta_ex -0.7546055E-03 Delta_ec 0.9587523E-04 Delta_et -0.7638585E-03 Pxc 0.4261143E+01 Qxc -0.7870704E+01 3,+3 96 3 -1 -1.828856 2.732918 -0.547218 Rho 0.1445649E+00 |GRAD(Rho)| 0.3434264E-13 GRAD(Rho)x 0.2934195E-13 GRAD(Rho)y -0.1781813E-13 GRAD(Rho)z -0.9902967E-15 Laplacian 0.6029735E+00 (-1/4)Del**2(Rho)) -0.1507434E+00 Diamond 0.1165673E+01 Metallicity 0.4550787E+01 Ellipticity 0.1279780E-01 Gb(Abramov) 0.2148291E+00 Vb(Abramov) -0.2789148E+00 Hb(Abramov) -0.6408571E-01 Ex_ueg -0.5603624E-01 Ec_ueg -0.8096504E-02 Delta_ex -0.6413610E-01 Delta_ec 0.1537792E-01 Delta_et -0.2035051E+00 Pxc 0.6921042E+01 Qxc -0.4170661E+01 3,-1 97 3 -1 -2.033962 3.036110 0.862533 Rho 0.1695280E+00 |GRAD(Rho)| 0.6227983E-13 GRAD(Rho)x 0.4938010E-13 GRAD(Rho)y -0.2541084E-13 GRAD(Rho)z 0.2818993E-13 Laplacian 0.6617638E+00 (-1/4)Del**2(Rho)) -0.1654410E+00 Diamond 0.1547197E+01 Metallicity 0.5407284E+01 Ellipticity 0.4378783E-01 Gb(Abramov) 0.2593917E+00 Vb(Abramov) -0.3533424E+00 Hb(Abramov) -0.9395071E-01 Ex_ueg -0.6929580E-01 Ec_ueg -0.9705092E-02 Delta_ex -0.7320296E-01 Delta_ec 0.1618473E-01 Delta_et -0.2186006E+00 Pxc 0.7140149E+01 Qxc -0.4522964E+01 3,-1 98 3 +1 -1.528572 -1.942747 -1.954944 Rho 0.1149243E-01 |GRAD(Rho)| 0.6316825E-16 GRAD(Rho)x -0.5495646E-17 GRAD(Rho)y -0.5225033E-16 GRAD(Rho)z 0.3507034E-16 Laplacian 0.5196544E-01 (-1/4)Del**2(Rho)) -0.1299136E-01 Diamond 0.1927891E-02 Metallicity 0.7761008E+00 Ellipticity -0.1315773E+01 Gb(Abramov) 0.1034134E-01 Vb(Abramov) -0.7691322E-02 Hb(Abramov) 0.2650019E-02 Ex_ueg -0.1915435E-02 Ec_ueg -0.4361887E-03 Delta_ex -0.2514839E-02 Delta_ec 0.6556101E-03 Delta_et -0.4879037E-02 Pxc 0.4391299E+01 Qxc -0.3835876E+01 3,+1 99 3 +1 -0.293122 -1.313004 -2.573990 Rho 0.3403832E-02 |GRAD(Rho)| 0.8650446E-13 GRAD(Rho)x -0.8253758E-13 GRAD(Rho)y -0.2146753E-13 GRAD(Rho)z 0.1448159E-13 Laplacian 0.1311313E-01 (-1/4)Del**2(Rho)) -0.3278282E-02 Diamond 0.1236421E-03 Metallicity 0.4047502E+00 Ellipticity -0.1307935E+01 Gb(Abramov) 0.2406669E-02 Vb(Abramov) -0.1535056E-02 Hb(Abramov) 0.8716132E-03 Ex_ueg -0.3781603E-03 Ec_ueg -0.7888344E-04 Delta_ex -0.5154549E-03 Delta_ec 0.2500583E-03 Delta_et -0.1276860E-02 Pxc 0.4793912E+01 Qxc -0.2061339E+01 3,+1 100 3 -1 -1.836638 -0.513812 -1.703309 Rho 0.5234983E-01 |GRAD(Rho)| 0.9728695E-16 GRAD(Rho)x 0.5827121E-16 GRAD(Rho)y -0.3317447E-16 GRAD(Rho)z 0.7048881E-16 Laplacian 0.2104797E+00 (-1/4)Del**2(Rho)) -0.5261991E-01 Diamond 0.1140720E+00 Metallicity 0.2398438E+01 Ellipticity 0.2131872E-01 Gb(Abramov) 0.5611421E-01 Vb(Abramov) -0.5960851E-01 Hb(Abramov) -0.3494299E-02 Ex_ueg -0.1446346E-01 Ec_ueg -0.2545170E-02 Delta_ex -0.1754722E-01 Delta_ec 0.6305488E-02 Delta_et -0.6730101E-01 Pxc 0.5682708E+01 Qxc -0.2782849E+01 3,-1 101 3 +1 -0.570423 0.522311 -1.647074 Rho 0.8974960E-02 |GRAD(Rho)| 0.1480971E-16 GRAD(Rho)x -0.2022748E-17 GRAD(Rho)y -0.1421129E-18 GRAD(Rho)z -0.1467024E-16 Laplacian 0.3525520E-01 (-1/4)Del**2(Rho)) -0.8813799E-02 Diamond 0.1011493E-02 Metallicity 0.7576074E+00 Ellipticity -0.1468901E+01 Gb(Abramov) 0.6988766E-02 Vb(Abramov) -0.5163733E-02 Hb(Abramov) 0.1825033E-02 Ex_ueg -0.1377511E-02 Ec_ueg -0.3217879E-03 Delta_ex -0.1633018E-02 Delta_ec 0.5048372E-03 Delta_et -0.3481554E-02 Pxc 0.4280804E+01 Qxc -0.3234742E+01 3,+1 102 3 -1 -0.878324 2.022173 3.042197 Rho 0.1045734E+00 |GRAD(Rho)| 0.3855110E-15 GRAD(Rho)x 0.3346254E-15 GRAD(Rho)y -0.8169463E-16 GRAD(Rho)z -0.1731200E-15 Laplacian 0.4321309E+00 (-1/4)Del**2(Rho)) -0.1080327E+00 Diamond 0.5870255E+00 Metallicity 0.3701404E+01 Ellipticity 0.7937002E-02 Gb(Abramov) 0.1386673E+00 Vb(Abramov) -0.1693018E+00 Hb(Abramov) -0.3063454E-01 Ex_ueg -0.3638703E-01 Ec_ueg -0.5602914E-02 Delta_ex -0.4287345E-01 Delta_ec 0.1250046E-01 Delta_et -0.1573969E+00 Pxc 0.6494304E+01 Qxc -0.3429751E+01 3,-1 103 3 -1 -1.864737 0.527694 -2.763651 Rho 0.1526151E+00 |GRAD(Rho)| 0.3005610E-12 GRAD(Rho)x -0.2310065E-12 GRAD(Rho)y -0.1877737E-12 GRAD(Rho)z 0.4140052E-13 Laplacian 0.6371871E+00 (-1/4)Del**2(Rho)) -0.1592968E+00 Diamond 0.1315079E+01 Metallicity 0.4713483E+01 Ellipticity 0.1556832E-01 Gb(Abramov) 0.2313383E+00 Vb(Abramov) -0.3033798E+00 Hb(Abramov) -0.7204151E-01 Ex_ueg -0.6023492E-01 Ec_ueg -0.8611126E-02 Delta_ex -0.6868777E-01 Delta_ec 0.1604071E-01 Delta_et -0.2139077E+00 Pxc 0.6995010E+01 Qxc -0.4282092E+01 3,-1 104 3 +1 0.084452 -0.097538 2.984547 Rho 0.4541374E-02 |GRAD(Rho)| 0.2852510E-17 GRAD(Rho)x 0.2741168E-17 GRAD(Rho)y 0.7753760E-18 GRAD(Rho)z -0.1469942E-18 Laplacian 0.1741850E-01 (-1/4)Del**2(Rho)) -0.4354625E-02 Diamond 0.3444571E-03 Metallicity 0.4926984E+00 Ellipticity -0.2994781E+01 Gb(Abramov) 0.3260669E-02 Vb(Abramov) -0.2166714E-02 Hb(Abramov) 0.1093955E-02 Ex_ueg -0.5554369E-03 Ec_ueg -0.1272299E-03 Delta_ex -0.8370467E-03 Delta_ec 0.5249754E-03 Delta_et -0.2779381E-02 Pxc 0.4365615E+01 Qxc -0.1594449E+01 3,+1 105 3 +1 0.366747 -1.749800 -0.689801 Rho 0.6989553E-02 |GRAD(Rho)| 0.1660080E-17 GRAD(Rho)x -0.1184779E-18 GRAD(Rho)y 0.1457237E-17 GRAD(Rho)z 0.7863129E-18 Laplacian 0.2634660E-01 (-1/4)Del**2(Rho)) -0.6586651E-02 Diamond 0.7143242E-03 Metallicity 0.6682990E+00 Ellipticity -0.1942199E+01 Gb(Abramov) 0.5124743E-02 Vb(Abramov) -0.3662834E-02 Hb(Abramov) 0.1461908E-02 Ex_ueg -0.9870009E-03 Ec_ueg -0.2335111E-03 Delta_ex -0.1251122E-02 Delta_ec 0.5644190E-03 Delta_et -0.3490116E-02 Pxc 0.4226784E+01 Qxc -0.2216654E+01 3,+1 106 3 -1 0.024591 -3.231243 -1.255894 Rho 0.3094087E-01 |GRAD(Rho)| 0.6831800E-16 GRAD(Rho)x -0.6806221E-16 GRAD(Rho)y -0.8893098E-18 GRAD(Rho)z -0.5838921E-17 Laplacian 0.9436080E-01 (-1/4)Del**2(Rho)) -0.2359020E-01 Diamond 0.3821088E-01 Metallicity 0.2226942E+01 Ellipticity 0.7155921E-02 Gb(Abramov) 0.2448247E-01 Vb(Abramov) -0.2537474E-01 Hb(Abramov) -0.8922695E-03 Ex_ueg -0.7174005E-02 Ec_ueg -0.1392240E-02 Delta_ex -0.7984997E-02 Delta_ec 0.4761385E-02 Delta_et -0.4403956E-01 Pxc 0.5152852E+01 Qxc -0.1677033E+01 3,-1 107 3 +1 0.130160 -2.954560 0.162493 Rho 0.4993767E-02 |GRAD(Rho)| 0.7088798E-17 GRAD(Rho)x 0.6429969E-17 GRAD(Rho)y 0.7169890E-18 GRAD(Rho)z -0.2896979E-17 Laplacian 0.1975523E-01 (-1/4)Del**2(Rho)) -0.4938808E-02 Diamond 0.4209188E-03 Metallicity 0.5089145E+00 Ellipticity -0.2353687E+01 Gb(Abramov) 0.3711444E-02 Vb(Abramov) -0.2484080E-02 Hb(Abramov) 0.1227364E-02 Ex_ueg -0.6304095E-03 Ec_ueg -0.1466446E-03 Delta_ex -0.9456972E-03 Delta_ec 0.5573080E-03 Delta_et -0.3051707E-02 Pxc 0.4298894E+01 Qxc -0.1696902E+01 3,+1 108 3 +1 -0.131841 -2.195613 -1.080972 Rho 0.7386623E-02 |GRAD(Rho)| 0.3043604E-15 GRAD(Rho)x 0.6622859E-16 GRAD(Rho)y 0.2845992E-15 GRAD(Rho)z 0.8516039E-16 Laplacian 0.2869635E-01 (-1/4)Del**2(Rho)) -0.7174087E-02 Diamond 0.9449137E-03 Metallicity 0.6727646E+00 Ellipticity -0.2420411E+01 Gb(Abramov) 0.5587137E-02 Vb(Abramov) -0.4000186E-02 Hb(Abramov) 0.1586950E-02 Ex_ueg -0.1062461E-02 Ec_ueg -0.2510218E-03 Delta_ex -0.1438714E-02 Delta_ec 0.7196926E-03 Delta_et -0.4462021E-02 Pxc 0.4232544E+01 Qxc -0.1999067E+01 3,+1 109 3 +1 -1.056322 1.449171 2.224523 Rho 0.2600348E-01 |GRAD(Rho)| 0.8417670E-15 GRAD(Rho)x 0.5489827E-15 GRAD(Rho)y 0.5915968E-15 GRAD(Rho)z 0.2391711E-15 Laplacian 0.9929421E-01 (-1/4)Del**2(Rho)) -0.2482355E-01 Diamond 0.1188345E-01 Metallicity 0.1583951E+01 Ellipticity -0.2417366E+01 Gb(Abramov) 0.2310225E-01 Vb(Abramov) -0.2138095E-01 Hb(Abramov) 0.1721302E-02 Ex_ueg -0.5689757E-02 Ec_ueg -0.1139370E-02 Delta_ex -0.6052702E-02 Delta_ec 0.1348933E-02 Delta_et -0.1209048E-01 Pxc 0.4993777E+01 Qxc -0.4487029E+01 3,+1 110 3 +1 -1.044850 2.210095 1.455691 Rho 0.2541580E-01 |GRAD(Rho)| 0.4683321E-16 GRAD(Rho)x 0.3130720E-16 GRAD(Rho)y -0.3160772E-16 GRAD(Rho)z 0.1463420E-16 Laplacian 0.9603636E-01 (-1/4)Del**2(Rho)) -0.2400909E-01 Diamond 0.1082092E-01 Metallicity 0.1576464E+01 Ellipticity -0.2265992E+01 Gb(Abramov) 0.2231430E-01 Vb(Abramov) -0.2061951E-01 Hb(Abramov) 0.1694787E-02 Ex_ueg -0.5518955E-02 Ec_ueg -0.1109672E-02 Delta_ex -0.5783861E-02 Delta_ec 0.1244964E-02 Delta_et -0.1111861E-01 Pxc 0.4973501E+01 Qxc -0.4645804E+01 3,+1 111 3 +3 -0.070058 -2.334569 -0.094430 Rho 0.4194093E-02 |GRAD(Rho)| 0.3489330E-17 GRAD(Rho)x 0.2384226E-17 GRAD(Rho)y 0.2530374E-17 GRAD(Rho)z 0.2968166E-18 Laplacian 0.1678251E-01 (-1/4)Del**2(Rho)) -0.4195628E-02 Diamond 0.1246530E-03 Metallicity 0.4478711E+00 Ellipticity -0.3456909E+00 Gb(Abramov) 0.3110269E-02 Vb(Abramov) -0.2024909E-02 Hb(Abramov) 0.1085359E-02 Ex_ueg -0.4995388E-03 Ec_ueg -0.1123979E-03 Delta_ex -0.5905123E-03 Delta_ec 0.1420256E-03 Delta_et -0.8902698E-03 Pxc 0.4444377E+01 Qxc -0.4157786E+01 3,+3 112 3 -1 0.894338 -3.058912 2.021258 Rho 0.1309070E+00 |GRAD(Rho)| 0.3128499E-12 GRAD(Rho)x -0.2184281E-12 GRAD(Rho)y 0.1134909E-12 GRAD(Rho)z 0.1930908E-12 Laplacian 0.5322009E+00 (-1/4)Del**2(Rho)) -0.1330502E+00 Diamond 0.9377114E+00 Metallicity 0.4369941E+01 Ellipticity 0.3674773E-01 Gb(Abramov) 0.1856037E+00 Vb(Abramov) -0.2381573E+00 Hb(Abramov) -0.5255352E-01 Ex_ueg -0.4909102E-01 Ec_ueg -0.7232732E-02 Delta_ex -0.5555104E-01 Delta_ec 0.1442643E-01 Delta_et -0.1890328E+00 Pxc 0.6787342E+01 Qxc -0.3850644E+01 3,-1 113 3 +1 2.145864 -1.093406 1.402762 Rho 0.2564056E-01 |GRAD(Rho)| 0.2538546E-16 GRAD(Rho)x -0.1370652E-16 GRAD(Rho)y -0.9909518E-17 GRAD(Rho)z -0.1893025E-16 Laplacian 0.9879508E-01 (-1/4)Del**2(Rho)) -0.2469877E-01 Diamond 0.1345125E-01 Metallicity 0.1555096E+01 Ellipticity -0.4301157E+01 Gb(Abramov) 0.2286734E-01 Vb(Abramov) -0.2103591E-01 Hb(Abramov) 0.1831432E-02 Ex_ueg -0.5584125E-02 Ec_ueg -0.1121019E-02 Delta_ex -0.6193768E-02 Delta_ec 0.1689964E-02 Delta_et -0.1500716E-01 Pxc 0.4981292E+01 Qxc -0.3665029E+01 3,+1 114 3 +1 1.347262 -1.122795 2.222185 Rho 0.2366686E-01 |GRAD(Rho)| 0.3130292E-13 GRAD(Rho)x 0.2446619E-13 GRAD(Rho)y 0.1648323E-13 GRAD(Rho)z 0.1046812E-13 Laplacian 0.8621895E-01 (-1/4)Del**2(Rho)) -0.2155474E-01 Diamond 0.1000857E-01 Metallicity 0.1559235E+01 Ellipticity -0.3639877E+01 Gb(Abramov) 0.1997131E-01 Vb(Abramov) -0.1838788E-01 Hb(Abramov) 0.1583430E-02 Ex_ueg -0.5018485E-02 Ec_ueg -0.1021830E-02 Delta_ex -0.5232150E-02 Delta_ec 0.1369469E-02 Delta_et -0.1195214E-01 Pxc 0.4911273E+01 Qxc -0.3820568E+01 3,+1 115 3 -1 0.531952 -1.759718 1.748901 Rho 0.4513374E-01 |GRAD(Rho)| 0.5900838E-14 GRAD(Rho)x -0.1855806E-14 GRAD(Rho)y -0.3831279E-14 GRAD(Rho)z 0.4086217E-14 Laplacian 0.1931802E+00 (-1/4)Del**2(Rho)) -0.4829505E-01 Diamond 0.9139647E-01 Metallicity 0.2040889E+01 Ellipticity 0.1746467E-01 Gb(Abramov) 0.4862418E-01 Vb(Abramov) -0.4895330E-01 Hb(Abramov) -0.3291237E-03 Ex_ueg -0.1186825E-01 Ec_ueg -0.2147705E-02 Delta_ex -0.1580391E-01 Delta_ec 0.6306652E-02 Delta_et -0.6484437E-01 Pxc 0.5526017E+01 Qxc -0.2505912E+01 3,-1 116 3 -1 -0.590536 -1.828892 2.829118 Rho 0.9733990E-01 |GRAD(Rho)| 0.7359211E-16 GRAD(Rho)x -0.5156737E-16 GRAD(Rho)y 0.5002915E-16 GRAD(Rho)z -0.1592761E-16 Laplacian 0.4251465E+00 (-1/4)Del**2(Rho)) -0.1062866E+00 Diamond 0.5337034E+00 Metallicity 0.3338561E+01 Ellipticity 0.2131127E-01 Gb(Abramov) 0.1299985E+00 Vb(Abramov) -0.1537104E+00 Hb(Abramov) -0.2371186E-01 Ex_ueg -0.3307041E-01 Ec_ueg -0.5164196E-02 Delta_ex -0.4156050E-01 Delta_ec 0.1261774E-01 Delta_et -0.1567018E+00 Pxc 0.6403787E+01 Qxc -0.3293816E+01 3,-1 117 3 -1 -0.565814 2.690573 -1.812687 Rho 0.1264193E+00 |GRAD(Rho)| 0.5498251E-14 GRAD(Rho)x 0.3798692E-14 GRAD(Rho)y -0.4187392E-15 GRAD(Rho)z -0.3952893E-14 Laplacian 0.5326276E+00 (-1/4)Del**2(Rho)) -0.1331569E+00 Diamond 0.8769200E+00 Metallicity 0.4119824E+01 Ellipticity 0.7218731E-02 Gb(Abramov) 0.1802018E+00 Vb(Abramov) -0.2272466E+00 Hb(Abramov) -0.4704486E-01 Ex_ueg -0.4686008E-01 Ec_ueg -0.6951574E-02 Delta_ex -0.5484604E-01 Delta_ec 0.1404245E-01 Delta_et -0.1820212E+00 Pxc 0.6740931E+01 Qxc -0.3905732E+01 3,-1 118 3 -1 -0.016902 2.927217 -0.036110 Rho 0.5639762E-02 |GRAD(Rho)| 0.7873683E-16 GRAD(Rho)x 0.3317115E-16 GRAD(Rho)y -0.1083111E-16 GRAD(Rho)z -0.7058223E-16 Laplacian 0.2230237E-01 (-1/4)Del**2(Rho)) -0.5575591E-02 Diamond 0.6974266E-03 Metallicity 0.5521159E+00 Ellipticity 0.2567580E+01 Gb(Abramov) 0.4230123E-02 Vb(Abramov) -0.2884655E-02 Hb(Abramov) 0.1345468E-02 Ex_ueg -0.7414231E-03 Ec_ueg -0.1745474E-03 Delta_ex -0.1203099E-02 Delta_ec 0.8235999E-03 Delta_et -0.4589018E-02 Pxc 0.4247689E+01 Qxc -0.1460781E+01 3,-1 119 3 -1 -0.868006 3.034202 1.997115 Rho 0.9538823E-01 |GRAD(Rho)| 0.7461988E-14 GRAD(Rho)x 0.3571389E-14 GRAD(Rho)y 0.2831136E-14 GRAD(Rho)z 0.5908563E-14 Laplacian 0.3984966E+00 (-1/4)Del**2(Rho)) -0.9962414E-01 Diamond 0.4843743E+00 Metallicity 0.3443604E+01 Ellipticity 0.6943547E-02 Gb(Abramov) 0.1235938E+00 Vb(Abramov) -0.1475634E+00 Hb(Abramov) -0.2396964E-01 Ex_ueg -0.3218929E-01 Ec_ueg -0.5046544E-02 Delta_ex -0.3870651E-01 Delta_ec 0.1175464E-01 Delta_et -0.1452282E+00 Pxc 0.6378482E+01 Qxc -0.3292872E+01 3,-1 120 3 -1 0.252221 -1.274005 -1.885074 Rho 0.4994788E-02 |GRAD(Rho)| 0.2226326E-17 GRAD(Rho)x 0.2191819E-17 GRAD(Rho)y 0.3904581E-18 GRAD(Rho)z 0.1470236E-20 Laplacian 0.1950579E-01 (-1/4)Del**2(Rho)) -0.4876447E-02 Diamond 0.5210673E-03 Metallicity 0.5155982E+00 Ellipticity 0.1336013E+01 Gb(Abramov) 0.3670013E-02 Vb(Abramov) -0.2463578E-02 Hb(Abramov) 0.1206434E-02 Ex_ueg -0.6305814E-03 Ec_ueg -0.1466885E-03 Delta_ex -0.1031754E-02 Delta_ec 0.7251688E-03 Delta_et -0.3892181E-02 Pxc 0.4298778E+01 Qxc -0.1422777E+01 3,-1 121 3 -1 -0.571758 -0.484513 -0.466778 Rho 0.1874359E+00 |GRAD(Rho)| 0.3824111E-15 GRAD(Rho)x -0.1318390E-15 GRAD(Rho)y -0.1942890E-15 GRAD(Rho)z -0.3018419E-15 Laplacian 0.5064602E+00 (-1/4)Del**2(Rho)) -0.1266151E+00 Diamond 0.1354693E+01 Metallicity 0.8352613E+01 Ellipticity 0.2342636E-01 Gb(Abramov) 0.2606711E+00 Vb(Abramov) -0.3947272E+00 Hb(Abramov) -0.1340561E+00 Ex_ueg -0.7922375E-01 Ec_ueg -0.1088165E-01 Delta_ex -0.5759659E-01 Delta_ec 0.1231207E-01 Delta_et -0.1688500E+00 Pxc 0.7280488E+01 Qxc -0.4678057E+01 3,-1 122 3 +1 1.699902 0.518398 0.586160 Rho 0.7099761E-02 |GRAD(Rho)| 0.1293638E-16 GRAD(Rho)x -0.1009631E-16 GRAD(Rho)y -0.6906434E-17 GRAD(Rho)z 0.4208976E-17 Laplacian 0.2696930E-01 (-1/4)Del**2(Rho)) -0.6742325E-02 Diamond 0.5687055E-03 Metallicity 0.6701156E+00 Ellipticity -0.1422336E+01 Gb(Abramov) 0.5247906E-02 Vb(Abramov) -0.3753487E-02 Hb(Abramov) 0.1494419E-02 Ex_ueg -0.1007805E-02 Ec_ueg -0.2383639E-03 Delta_ex -0.1181604E-02 Delta_ec 0.3927147E-03 Delta_et -0.2543017E-02 Pxc 0.4228013E+01 Qxc -0.3008811E+01 3,+1 123 3 +1 0.470329 -0.857653 -1.780837 Rho 0.4691042E-02 |GRAD(Rho)| 0.7736573E-15 GRAD(Rho)x 0.3385615E-15 GRAD(Rho)y 0.5758668E-15 GRAD(Rho)z 0.3902553E-15 Laplacian 0.1797673E-01 (-1/4)Del**2(Rho)) -0.4494182E-02 Diamond 0.3068644E-03 Metallicity 0.5039081E+00 Ellipticity -0.1711698E+01 Gb(Abramov) 0.3373564E-02 Vb(Abramov) -0.2252946E-02 Hb(Abramov) 0.1120618E-02 Ex_ueg -0.5799771E-03 Ec_ueg -0.1336414E-03 Delta_ex -0.8041368E-03 Delta_ec 0.4254364E-03 Delta_et -0.2323843E-02 Pxc 0.4339801E+01 Qxc -0.1890146E+01 3,+1 124 3 -1 0.421900 -0.509281 0.469159 Rho 0.1842340E+00 |GRAD(Rho)| 0.1811437E-15 GRAD(Rho)x -0.1075529E-15 GRAD(Rho)y 0.9020562E-16 GRAD(Rho)z -0.1144917E-15 Laplacian 0.4924214E+00 (-1/4)Del**2(Rho)) -0.1231053E+00 Diamond 0.1299284E+01 Metallicity 0.8347556E+01 Ellipticity 0.3866269E-02 Gb(Abramov) 0.2533417E+00 Vb(Abramov) -0.3835781E+00 Hb(Abramov) -0.1302364E+00 Ex_ueg -0.7742446E-01 Ec_ueg -0.1066994E-01 Delta_ex -0.5582647E-01 Delta_ec 0.1214875E-01 Delta_et -0.1666885E+00 Pxc 0.7256317E+01 Qxc -0.4595245E+01 3,-1 125 3 +1 2.181070 0.994280 -1.449249 Rho 0.2409278E-01 |GRAD(Rho)| 0.3649337E-16 GRAD(Rho)x 0.3385726E-16 GRAD(Rho)y 0.1354283E-16 GRAD(Rho)z -0.1429557E-17 Laplacian 0.9080748E-01 (-1/4)Del**2(Rho)) -0.2270187E-01 Diamond 0.9937771E-02 Metallicity 0.1525116E+01 Ellipticity -0.2439263E+01 Gb(Abramov) 0.2090508E-01 Vb(Abramov) -0.1910829E-01 Hb(Abramov) 0.1796791E-02 Ex_ueg -0.5139263E-02 Ec_ueg -0.1043146E-02 Delta_ex -0.5438325E-02 Delta_ec 0.1265998E-02 Delta_et -0.1114512E-01 Pxc 0.4926695E+01 Qxc -0.4295682E+01 3,+1 126 3 +3 0.023720 -0.025975 2.417812 Rho 0.4061425E-02 |GRAD(Rho)| 0.4429137E-17 GRAD(Rho)x 0.1384166E-17 GRAD(Rho)y 0.3378373E-17 GRAD(Rho)z 0.2507575E-17 Laplacian 0.1595219E-01 (-1/4)Del**2(Rho)) -0.3988047E-02 Diamond 0.1227817E-03 Metallicity 0.4466050E+00 Ellipticity -0.2690350E+00 Gb(Abramov) 0.2955545E-02 Vb(Abramov) -0.1923043E-02 Hb(Abramov) 0.1032502E-02 Ex_ueg -0.4785819E-03 Ec_ueg -0.1067484E-03 Delta_ex -0.5681501E-03 Delta_ec 0.1554547E-03 Delta_et -0.9357623E-03 Pxc 0.4483270E+01 Qxc -0.3654764E+01 3,+3 127 3 -1 -0.508304 0.449052 0.485739 Rho 0.1755667E+00 |GRAD(Rho)| 0.1051170E-11 GRAD(Rho)x 0.5570856E-12 GRAD(Rho)y -0.6426179E-12 GRAD(Rho)z -0.6177836E-12 Laplacian 0.4583684E+00 (-1/4)Del**2(Rho)) -0.1145921E+00 Diamond 0.1144669E+01 Metallicity 0.8275648E+01 Ellipticity 0.1284882E-02 Gb(Abramov) 0.2344487E+00 Vb(Abramov) -0.3543053E+00 Hb(Abramov) -0.1198566E+00 Ex_ueg -0.7260634E-01 Ec_ueg -0.1009977E-01 Delta_ex -0.5136852E-01 Delta_ec 0.1149797E-01 Delta_et -0.1570366E+00 Pxc 0.7188907E+01 Qxc -0.4467616E+01 3,-1 128 3 +1 0.549018 0.520918 1.719489 Rho 0.7575322E-02 |GRAD(Rho)| 0.1578581E-16 GRAD(Rho)x 0.4330247E-17 GRAD(Rho)y 0.3941524E-18 GRAD(Rho)z 0.1517516E-16 Laplacian 0.2825741E-01 (-1/4)Del**2(Rho)) -0.7064352E-02 Diamond 0.6259923E-03 Metallicity 0.7125511E+00 Ellipticity -0.1426729E+01 Gb(Abramov) 0.5548520E-02 Vb(Abramov) -0.4032688E-02 Hb(Abramov) 0.1515832E-02 Ex_ueg -0.1098803E-02 Ec_ueg -0.2593691E-03 Delta_ex -0.1244878E-02 Delta_ec 0.3878714E-03 Delta_et -0.2573863E-02 Pxc 0.4236446E+01 Qxc -0.3209513E+01 3,+1 129 3 +1 0.507758 1.682025 0.522594 Rho 0.7935457E-02 |GRAD(Rho)| 0.4637549E-15 GRAD(Rho)x -0.4119773E-15 GRAD(Rho)y -0.1858667E-15 GRAD(Rho)z 0.1039082E-15 Laplacian 0.3042032E-01 (-1/4)Del**2(Rho)) -0.7605080E-02 Diamond 0.7205491E-03 Metallicity 0.7151590E+00 Ellipticity -0.1419222E+01 Gb(Abramov) 0.5976527E-02 Vb(Abramov) -0.4347974E-02 Hb(Abramov) 0.1628553E-02 Ex_ueg -0.1168999E-02 Ec_ueg -0.2753454E-03 Delta_ex -0.1357264E-02 Delta_ec 0.4199390E-03 Delta_et -0.2818123E-02 Pxc 0.4245574E+01 Qxc -0.3232051E+01 3,+1 130 3 -1 -0.568522 1.726560 -2.776237 Rho 0.1222548E+00 |GRAD(Rho)| 0.1331139E-12 GRAD(Rho)x 0.8984699E-13 GRAD(Rho)y 0.9699034E-13 GRAD(Rho)z 0.1548199E-13 Laplacian 0.5103645E+00 (-1/4)Del**2(Rho)) -0.1275911E+00 Diamond 0.8096017E+00 Metallicity 0.4066080E+01 Ellipticity 0.1196968E-01 Gb(Abramov) 0.1715267E+00 Vb(Abramov) -0.2154623E+00 Hb(Abramov) -0.4393558E-01 Ex_ueg -0.4481323E-01 Ec_ueg -0.6691874E-02 Delta_ex -0.5216577E-01 Delta_ec 0.1362069E-01 Delta_et -0.1756602E+00 Pxc 0.6696665E+01 Qxc -0.3829891E+01 3,-1 131 3 -1 -0.514249 1.737067 1.764002 Rho 0.4309925E-01 |GRAD(Rho)| 0.8435598E-16 GRAD(Rho)x -0.1658279E-17 GRAD(Rho)y 0.7800919E-16 GRAD(Rho)z -0.3205850E-16 Laplacian 0.1831946E+00 (-1/4)Del**2(Rho)) -0.4579864E-01 Diamond 0.8160424E-01 Metallicity 0.1992891E+01 Ellipticity 0.1304518E-01 Gb(Abramov) 0.4574438E-01 Vb(Abramov) -0.4569011E-01 Hb(Abramov) 0.5426511E-04 Ex_ueg -0.1116036E-01 Ec_ueg -0.2037136E-02 Delta_ex -0.1482902E-01 Delta_ec 0.6000586E-02 Delta_et -0.6093100E-01 Pxc 0.5478455E+01 Qxc -0.2471261E+01 3,-1 132 3 +1 0.132408 2.929710 -0.189616 Rho 0.5607719E-02 |GRAD(Rho)| 0.1376932E-15 GRAD(Rho)x 0.8251486E-16 GRAD(Rho)y 0.9371568E-17 GRAD(Rho)z -0.1098312E-15 Laplacian 0.2290690E-01 (-1/4)Del**2(Rho)) -0.5726725E-02 Diamond 0.5948551E-03 Metallicity 0.5324644E+00 Ellipticity -0.2852355E+01 Gb(Abramov) 0.4326030E-02 Vb(Abramov) -0.2925334E-02 Hb(Abramov) 0.1400696E-02 Ex_ueg -0.7358118E-03 Ec_ueg -0.1731585E-03 Delta_ex -0.1141960E-02 Delta_ec 0.6808686E-03 Delta_et -0.3843248E-02 Pxc 0.4249355E+01 Qxc -0.1677210E+01 3,+1 133 3 -1 -0.583105 -2.799025 1.824440 Rho 0.1015723E+00 |GRAD(Rho)| 0.1412431E-15 GRAD(Rho)x -0.1117474E-15 GRAD(Rho)y -0.5338679E-16 GRAD(Rho)z -0.6791171E-16 Laplacian 0.4434977E+00 (-1/4)Del**2(Rho)) -0.1108744E+00 Diamond 0.5851433E+00 Metallicity 0.3435692E+01 Ellipticity 0.1533093E-01 Gb(Abramov) 0.1374047E+00 Vb(Abramov) -0.1639349E+00 Hb(Abramov) -0.2653025E-01 Ex_ueg -0.3500142E-01 Ec_ueg -0.5420397E-02 Delta_ex -0.4376409E-01 Delta_ec 0.1301456E-01 Delta_et -0.1630325E+00 Pxc 0.6457354E+01 Qxc -0.3362703E+01 3,-1 134 3 -1 -0.061390 -3.277581 3.242509 Rho 0.2109115E+00 |GRAD(Rho)| 0.3480756E-15 GRAD(Rho)x 0.2268422E-15 GRAD(Rho)y 0.2401508E-15 GRAD(Rho)z -0.1096670E-15 Laplacian 0.7976236E+00 (-1/4)Del**2(Rho)) -0.1994059E+00 Diamond 0.2409681E+01 Metallicity 0.6456277E+01 Ellipticity 0.1800368E-02 Gb(Abramov) 0.3475072E+00 Vb(Abramov) -0.4956086E+00 Hb(Abramov) -0.1481013E+00 Ex_ueg -0.9272254E-01 Ec_ueg -0.1245153E-01 Delta_ex -0.9316199E-01 Delta_ec 0.1822938E-01 Delta_et -0.2506397E+00 Pxc 0.7446678E+01 Qxc -0.5110541E+01 3,-1 135 3 -1 0.065985 -2.000906 -1.019503 Rho 0.7517172E-02 |GRAD(Rho)| 0.5669492E-15 GRAD(Rho)x -0.3479309E-15 GRAD(Rho)y -0.4431696E-15 GRAD(Rho)z 0.6305662E-16 Laplacian 0.2855585E-01 (-1/4)Del**2(Rho)) -0.7138963E-02 Diamond 0.1268184E-02 Metallicity 0.6961062E+00 Ellipticity 0.1314708E+01 Gb(Abramov) 0.5587555E-02 Vb(Abramov) -0.4036146E-02 Hb(Abramov) 0.1551408E-02 Ex_ueg -0.1087571E-02 Ec_ueg -0.2567950E-03 Delta_ex -0.1601815E-02 Delta_ec 0.1010117E-02 Delta_et -0.6155399E-02 Pxc 0.4235173E+01 Qxc -0.1585772E+01 3,-1 136 3 +1 3.054417 -0.087220 0.139972 Rho 0.4669615E-02 |GRAD(Rho)| 0.7767078E-17 GRAD(Rho)x -0.5406244E-18 GRAD(Rho)y 0.3191715E-18 GRAD(Rho)z -0.7741663E-17 Laplacian 0.1824057E-01 (-1/4)Del**2(Rho)) -0.4560142E-02 Diamond 0.3913682E-03 Metallicity 0.4928445E+00 Ellipticity -0.3427892E+01 Gb(Abramov) 0.3414668E-02 Vb(Abramov) -0.2269194E-02 Hb(Abramov) 0.1145474E-02 Ex_ueg -0.5764476E-03 Ec_ueg -0.1327228E-03 Delta_ex -0.8984762E-03 Delta_ec 0.5804414E-03 Delta_et -0.3085717E-02 Pxc 0.4343244E+01 Qxc -0.1547919E+01 3,+1 137 3 -1 -0.074378 3.125459 -3.204734 Rho 0.2356715E+00 |GRAD(Rho)| 0.4884627E-15 GRAD(Rho)x 0.1019963E-15 GRAD(Rho)y -0.3202733E-15 GRAD(Rho)z 0.3544257E-15 Laplacian 0.8754580E+00 (-1/4)Del**2(Rho)) -0.2188645E+00 Diamond 0.3017535E+01 Metallicity 0.7077657E+01 Ellipticity 0.2149785E-02 Gb(Abramov) 0.4040843E+00 Vb(Abramov) -0.5893041E+00 Hb(Abramov) -0.1852198E+00 Ex_ueg -0.1075130E+00 Ec_ueg -0.1414041E-01 Delta_ex -0.1052086E+00 Delta_ec 0.1933060E-01 Delta_et -0.2670964E+00 Pxc 0.7603248E+01 Qxc -0.5442596E+01 3,-1 138 3 -1 0.084814 3.267345 3.238033 Rho 0.2106010E+00 |GRAD(Rho)| 0.1892838E-15 GRAD(Rho)x -0.5805903E-16 GRAD(Rho)y -0.1095044E-15 GRAD(Rho)z -0.1430605E-15 Laplacian 0.7921796E+00 (-1/4)Del**2(Rho)) -0.1980449E+00 Diamond 0.2390553E+01 Metallicity 0.6484705E+01 Ellipticity 0.3784686E-02 Gb(Abramov) 0.3460737E+00 Vb(Abramov) -0.4941025E+00 Hb(Abramov) -0.1480288E+00 Ex_ueg -0.9254059E-01 Ec_ueg -0.1243057E-01 Delta_ex -0.9250090E-01 Delta_ec 0.1813003E-01 Delta_et -0.2493154E+00 Pxc 0.7444599E+01 Qxc -0.5102082E+01 3,-1 139 3 -1 0.538107 1.662402 -1.730123 Rho 0.5139753E-01 |GRAD(Rho)| 0.1951759E-15 GRAD(Rho)x -0.3105392E-16 GRAD(Rho)y 0.1178308E-15 GRAD(Rho)z -0.1524638E-15 Laplacian 0.2063420E+00 (-1/4)Del**2(Rho)) -0.5158549E-01 Diamond 0.1079591E+00 Metallicity 0.2372808E+01 Ellipticity 0.1630275E-01 Gb(Abramov) 0.5479074E-01 Vb(Abramov) -0.5799599E-01 Hb(Abramov) -0.3205250E-02 Ex_ueg -0.1411372E-01 Ec_ueg -0.2492269E-02 Delta_ex -0.1707653E-01 Delta_ec 0.6099749E-02 Delta_et -0.6476971E-01 Pxc 0.5663000E+01 Qxc -0.2799546E+01 3,-1 140 3 +1 0.291427 -1.459074 -1.762630 Rho 0.4961632E-02 |GRAD(Rho)| 0.1356854E-16 GRAD(Rho)x -0.1092668E-16 GRAD(Rho)y 0.9496609E-18 GRAD(Rho)z 0.7988181E-17 Laplacian 0.1938775E-01 (-1/4)Del**2(Rho)) -0.4846938E-02 Diamond 0.4288877E-03 Metallicity 0.5130109E+00 Ellipticity -0.2937052E+01 Gb(Abramov) 0.3645714E-02 Vb(Abramov) -0.2444490E-02 Hb(Abramov) 0.1201224E-02 Ex_ueg -0.6250063E-03 Ec_ueg -0.1452620E-03 Delta_ex -0.9450796E-03 Delta_ec 0.5793868E-03 Delta_et -0.3151877E-02 Pxc 0.4302613E+01 Qxc -0.1631172E+01 3,+1 141 3 -1 0.611484 1.842339 2.846243 Rho 0.1461803E+00 |GRAD(Rho)| 0.2352113E-15 GRAD(Rho)x -0.8632960E-16 GRAD(Rho)y 0.1224335E-15 GRAD(Rho)z -0.1813328E-15 Laplacian 0.6160978E+00 (-1/4)Del**2(Rho)) -0.1540244E+00 Diamond 0.1231078E+01 Metallicity 0.4537098E+01 Ellipticity 0.1222929E-01 Gb(Abramov) 0.2191536E+00 Vb(Abramov) -0.2842828E+00 Hb(Abramov) -0.6512918E-01 Ex_ueg -0.5687264E-01 Ec_ueg -0.8199446E-02 Delta_ex -0.6595845E-01 Delta_ec 0.1611194E-01 Delta_et -0.2145455E+00 Pxc 0.6936156E+01 Qxc -0.4093762E+01 3,-1 142 3 +1 1.396439 2.137297 -1.039765 Rho 0.2619507E-01 |GRAD(Rho)| 0.4531444E-13 GRAD(Rho)x 0.3386795E-13 GRAD(Rho)y 0.1990119E-13 GRAD(Rho)z 0.2258988E-13 Laplacian 0.1001028E+00 (-1/4)Del**2(Rho)) -0.2502571E-01 Diamond 0.1251318E-01 Metallicity 0.1590497E+01 Ellipticity -0.2680893E+01 Gb(Abramov) 0.2331769E-01 Vb(Abramov) -0.2160967E-01 Hb(Abramov) 0.1708016E-02 Ex_ueg -0.5745722E-02 Ec_ueg -0.1149071E-02 Delta_ex -0.6156281E-02 Delta_ec 0.1434737E-02 Delta_et -0.1286191E-01 Pxc 0.5000321E+01 Qxc -0.4290877E+01 3,+1 143 3 -1 0.431262 0.423892 -0.475153 Rho 0.1805291E+00 |GRAD(Rho)| 0.1447221E-15 GRAD(Rho)x 0.3469447E-16 GRAD(Rho)y 0.1179612E-15 GRAD(Rho)z -0.7632783E-16 Laplacian 0.4755395E+00 (-1/4)Del**2(Rho)) -0.1188849E+00 Diamond 0.1229081E+01 Metallicity 0.8356132E+01 Ellipticity 0.6949212E-02 Gb(Abramov) 0.2448262E+00 Vb(Abramov) -0.3707676E+00 Hb(Abramov) -0.1259413E+00 Ex_ueg -0.7535546E-01 Ec_ueg -0.1042569E-01 Delta_ex -0.5367408E-01 Delta_ec 0.1185837E-01 Delta_et -0.1625273E+00 Pxc 0.7227862E+01 Qxc -0.4526260E+01 3,-1 144 3 -1 0.847209 1.929582 -3.026446 Rho 0.1650587E+00 |GRAD(Rho)| 0.5182302E-15 GRAD(Rho)x -0.4356324E-15 GRAD(Rho)y 0.2121784E-15 GRAD(Rho)z 0.1837587E-15 Laplacian 0.6441591E+00 (-1/4)Del**2(Rho)) -0.1610398E+00 Diamond 0.1457159E+01 Metallicity 0.5313132E+01 Ellipticity 0.4633060E-01 Gb(Abramov) 0.2499641E+00 Vb(Abramov) -0.3388884E+00 Hb(Abramov) -0.8892433E-01 Ex_ueg -0.6687075E-01 Ec_ueg -0.9414354E-02 Delta_ex -0.7077033E-01 Delta_ec 0.1584226E-01 Delta_et -0.2132474E+00 Pxc 0.7103063E+01 Qxc -0.4467186E+01 3,-1 145 3 +1 1.779414 1.812298 1.780718 Rho 0.1135511E-01 |GRAD(Rho)| 0.1303717E-16 GRAD(Rho)x -0.5128896E-17 GRAD(Rho)y -0.3324184E-17 GRAD(Rho)z 0.1151573E-16 Laplacian 0.5292162E-01 (-1/4)Del**2(Rho)) -0.1323041E-01 Diamond 0.1884914E-02 Metallicity 0.7469631E+00 Ellipticity -0.1269680E+01 Gb(Abramov) 0.1046737E-01 Vb(Abramov) -0.7704343E-02 Hb(Abramov) 0.2763031E-02 Ex_ueg -0.1884981E-02 Ec_ueg -0.4298812E-03 Delta_ex -0.2538582E-02 Delta_ec 0.6419266E-03 Delta_et -0.4784181E-02 Pxc 0.4384889E+01 Qxc -0.3954629E+01 3,+1 146 3 -1 0.581717 2.829738 1.792865 Rho 0.1226872E+00 |GRAD(Rho)| 0.2219637E-14 GRAD(Rho)x -0.1390706E-14 GRAD(Rho)y -0.2557565E-15 GRAD(Rho)z 0.1710939E-14 Laplacian 0.5248358E+00 (-1/4)Del**2(Rho)) -0.1312090E+00 Diamond 0.8628792E+00 Metallicity 0.3977303E+01 Ellipticity 0.1746677E-01 Gb(Abramov) 0.1744489E+00 Vb(Abramov) -0.2176889E+00 Hb(Abramov) -0.4323998E-01 Ex_ueg -0.4502471E-01 Ec_ueg -0.6718786E-02 Delta_ex -0.5403898E-01 Delta_ec 0.1461796E-01 Delta_et -0.1896955E+00 Pxc 0.6701317E+01 Qxc -0.3696753E+01 3,-1 147 3 -1 0.841337 2.953962 -2.005427 Rho 0.1616288E+00 |GRAD(Rho)| 0.3316939E-15 GRAD(Rho)x -0.2661987E-15 GRAD(Rho)y -0.8181661E-16 GRAD(Rho)z -0.1801808E-15 Laplacian 0.6315497E+00 (-1/4)Del**2(Rho)) -0.1578874E+00 Diamond 0.1397781E+01 Metallicity 0.5232831E+01 Ellipticity 0.6102634E-01 Gb(Abramov) 0.2429580E+00 Vb(Abramov) -0.3280286E+00 Hb(Abramov) -0.8507057E-01 Ex_ueg -0.6502444E-01 Ec_ueg -0.9192031E-02 Delta_ex -0.6906588E-01 Delta_ec 0.1569185E-01 Delta_et -0.2108792E+00 Pxc 0.7074001E+01 Qxc -0.4401385E+01 3,-1 148 3 +1 1.240559 -2.223286 1.215124 Rho 0.2587855E-01 |GRAD(Rho)| 0.2231065E-16 GRAD(Rho)x 0.7868501E-18 GRAD(Rho)y 0.3530289E-18 GRAD(Rho)z -0.2229397E-16 Laplacian 0.1013234E+00 (-1/4)Del**2(Rho)) -0.2533084E-01 Diamond 0.1535410E-01 Metallicity 0.1539821E+01 Ellipticity -0.1487749E+02 Gb(Abramov) 0.2338805E-01 Vb(Abramov) -0.2144527E-01 Hb(Abramov) 0.1942788E-02 Ex_ueg -0.5653339E-02 Ec_ueg -0.1133049E-02 Delta_ex -0.6511321E-02 Delta_ec 0.1989134E-02 Delta_et -0.1765114E-01 Pxc 0.4989492E+01 Qxc -0.3273445E+01 3,+1 149 3 -1 0.870712 -2.026044 3.093108 Rho 0.1349737E+00 |GRAD(Rho)| 0.2004760E-15 GRAD(Rho)x 0.8557066E-16 GRAD(Rho)y 0.1805468E-15 GRAD(Rho)z -0.1646632E-16 Laplacian 0.5457655E+00 (-1/4)Del**2(Rho)) -0.1364414E+00 Diamond 0.9924425E+00 Metallicity 0.4484242E+01 Ellipticity 0.1818993E-01 Gb(Abramov) 0.1929336E+00 Vb(Abramov) -0.2494259E+00 Hb(Abramov) -0.5649225E-01 Ex_ueg -0.5113489E-01 Ec_ueg -0.7488670E-02 Delta_ex -0.5732754E-01 Delta_ec 0.1458146E-01 Delta_et -0.1918340E+00 Pxc 0.6828301E+01 Qxc -0.3931536E+01 3,-1 150 3 +3 1.942870 1.899185 -1.966640 Rho 0.1179213E-01 |GRAD(Rho)| 0.5638667E-17 GRAD(Rho)x -0.2937171E-17 GRAD(Rho)y 0.4788122E-17 GRAD(Rho)z 0.4913986E-18 Laplacian 0.5285117E-01 (-1/4)Del**2(Rho)) -0.1321279E-01 Diamond 0.1328988E-02 Metallicity 0.7965487E+00 Ellipticity -0.8869358E+00 Gb(Abramov) 0.1056263E-01 Vb(Abramov) -0.7912475E-02 Hb(Abramov) 0.2650159E-02 Ex_ueg -0.1982325E-02 Ec_ueg -0.4499815E-03 Delta_ex -0.2367452E-02 Delta_ec 0.2959353E-03 Delta_et -0.2512071E-02 Pxc 0.4405346E+01 Qxc -0.7999897E+01 3,+3 151 3 +3 2.369251 -0.025264 0.052508 Rho 0.3828997E-02 |GRAD(Rho)| 0.2782480E-17 GRAD(Rho)x -0.1483223E-17 GRAD(Rho)y -0.1194435E-17 GRAD(Rho)z -0.2028687E-17 Laplacian 0.1529467E-01 (-1/4)Del**2(Rho)) -0.3823667E-02 Diamond 0.1015502E-03 Metallicity 0.4222290E+00 Ellipticity -0.2741395E+00 Gb(Abramov) 0.2818189E-02 Vb(Abramov) -0.1812710E-02 Hb(Abramov) 0.1005479E-02 Ex_ueg -0.4424169E-03 Ec_ueg -0.9687313E-04 Delta_ex -0.5272999E-03 Delta_ec 0.1321462E-03 Delta_et -0.8064980E-03 Pxc 0.4566972E+01 Qxc -0.3990276E+01 3,+3 152 3 -1 2.992379 -2.057126 0.824067 Rho 0.1222711E+00 |GRAD(Rho)| 0.5341400E-14 GRAD(Rho)x 0.4390633E-14 GRAD(Rho)y -0.2845136E-14 GRAD(Rho)z -0.1076152E-14 Laplacian 0.4804032E+00 (-1/4)Del**2(Rho)) -0.1201008E+00 Diamond 0.7554670E+00 Metallicity 0.4320626E+01 Ellipticity 0.3329556E-02 Gb(Abramov) 0.1665523E+00 Vb(Abramov) -0.2130038E+00 Hb(Abramov) -0.4645151E-01 Ex_ueg -0.4482118E-01 Ec_ueg -0.6692885E-02 Delta_ex -0.4901689E-01 Delta_ec 0.1266353E-01 Delta_et -0.1630538E+00 Pxc 0.6696840E+01 Qxc -0.3870713E+01 3,-1 153 3 +1 1.491864 0.914317 -2.181924 Rho 0.2441329E-01 |GRAD(Rho)| 0.1062976E-13 GRAD(Rho)x 0.7798202E-14 GRAD(Rho)y -0.4681733E-14 GRAD(Rho)z -0.5501012E-14 Laplacian 0.9305253E-01 (-1/4)Del**2(Rho)) -0.2326313E-01 Diamond 0.9457482E-02 Metallicity 0.1521465E+01 Ellipticity -0.2003140E+01 Gb(Abramov) 0.2140776E-01 Vb(Abramov) -0.1955239E-01 Hb(Abramov) 0.1855369E-02 Ex_ueg -0.5230623E-02 Ec_ueg -0.1059220E-02 Delta_ex -0.5490576E-02 Delta_ec 0.1114427E-02 Delta_et -0.9895620E-02 Pxc 0.4938185E+01 Qxc -0.4926813E+01 3,+1 154 3 +1 1.996522 1.963334 -2.028586 Rho 0.1180592E-01 |GRAD(Rho)| 0.2211283E-16 GRAD(Rho)x -0.1857902E-16 GRAD(Rho)y 0.3087178E-17 GRAD(Rho)z -0.1158736E-16 Laplacian 0.5320256E-01 (-1/4)Del**2(Rho)) -0.1330064E-01 Diamond 0.1573949E-02 Metallicity 0.7928307E+00 Ellipticity -0.1087014E+01 Gb(Abramov) 0.1062462E-01 Vb(Abramov) -0.7948599E-02 Hb(Abramov) 0.2676021E-02 Ex_ueg -0.1985416E-02 Ec_ueg -0.4506171E-03 Delta_ex -0.2453085E-02 Delta_ec 0.4212590E-03 Delta_et -0.3354896E-02 Pxc 0.4405994E+01 Qxc -0.5823223E+01 3,+1 155 3 +1 1.992420 -2.035555 2.055925 Rho 0.1166018E-01 |GRAD(Rho)| 0.1832015E-16 GRAD(Rho)x -0.1362939E-16 GRAD(Rho)y -0.1135097E-16 GRAD(Rho)z -0.4585086E-17 Laplacian 0.4847882E-01 (-1/4)Del**2(Rho)) -0.1211970E-01 Diamond 0.1289493E-02 Metallicity 0.8522556E+00 Ellipticity -0.1089091E+01 Gb(Abramov) 0.9801318E-02 Vb(Abramov) -0.7482930E-02 Hb(Abramov) 0.2318387E-02 Ex_ueg -0.1952804E-02 Ec_ueg -0.4439045E-03 Delta_ex -0.2191418E-02 Delta_ec 0.3193768E-03 Delta_et -0.2619720E-02 Pxc 0.4399154E+01 Qxc -0.6861544E+01 3,+1 156 3 +1 1.940755 -1.821596 -1.764519 Rho 0.1348196E-01 |GRAD(Rho)| 0.1158782E-14 GRAD(Rho)x 0.2432817E-15 GRAD(Rho)y -0.5616674E-15 GRAD(Rho)z 0.9839305E-15 Laplacian 0.6157511E-01 (-1/4)Del**2(Rho)) -0.1539378E-01 Diamond 0.2818347E-02 Metallicity 0.8546655E+00 Ellipticity -0.1370676E+01 Gb(Abramov) 0.1245527E-01 Vb(Abramov) -0.9516769E-02 Hb(Abramov) 0.2938504E-02 Ex_ueg -0.2369858E-02 Ec_ueg -0.5284063E-03 Delta_ex -0.3102575E-02 Delta_ec 0.7654021E-03 Delta_et -0.5928354E-02 Pxc 0.4484916E+01 Qxc -0.4053522E+01 3,+1 157 3 -1 1.711018 -1.787575 0.509772 Rho 0.3954619E-01 |GRAD(Rho)| 0.6972831E-13 GRAD(Rho)x 0.4520467E-13 GRAD(Rho)y -0.4634122E-13 GRAD(Rho)z -0.2590494E-13 Laplacian 0.1566849E+00 (-1/4)Del**2(Rho)) -0.3917122E-01 Diamond 0.5668822E-01 Metallicity 0.2018802E+01 Ellipticity 0.3200398E-01 Gb(Abramov) 0.3929397E-01 Vb(Abramov) -0.3941673E-01 Hb(Abramov) -0.1227527E-03 Ex_ueg -0.9950799E-02 Ec_ueg -0.1845748E-02 Delta_ex -0.1210163E-01 Delta_ec 0.4565560E-02 Delta_et -0.4522246E-01 Pxc 0.5391202E+01 Qxc -0.2650635E+01 3,-1 158 3 +3 1.924190 -1.967624 1.986943 Rho 0.1164101E-01 |GRAD(Rho)| 0.1327693E-16 GRAD(Rho)x -0.1008614E-16 GRAD(Rho)y 0.6237404E-17 GRAD(Rho)z -0.5970031E-17 Laplacian 0.4813061E-01 (-1/4)Del**2(Rho)) -0.1203265E-01 Diamond 0.1052735E-02 Metallicity 0.8560705E+00 Ellipticity -0.8811647E+00 Gb(Abramov) 0.9738568E-02 Vb(Abramov) -0.7444484E-02 Hb(Abramov) 0.2294084E-02 Ex_ueg -0.1948525E-02 Ec_ueg -0.4430222E-03 Delta_ex -0.2107082E-02 Delta_ec 0.1964253E-03 Delta_et -0.1796321E-02 Pxc 0.4398255E+01 Qxc -0.1072714E+02 3,+3 159 3 -1 1.815110 2.818579 0.552514 Rho 0.1482596E+00 |GRAD(Rho)| 0.2203581E-15 GRAD(Rho)x 0.2889399E-16 GRAD(Rho)y 0.8611276E-16 GRAD(Rho)z 0.2007671E-15 Laplacian 0.6154996E+00 (-1/4)Del**2(Rho)) -0.1538749E+00 Diamond 0.1223545E+01 Metallicity 0.4649686E+01 Ellipticity 0.1074797E-01 Gb(Abramov) 0.2218282E+00 Vb(Abramov) -0.2897816E+00 Hb(Abramov) -0.6795335E-01 Ex_ueg -0.5795385E-01 Ec_ueg -0.8332198E-02 Delta_ex -0.6584487E-01 Delta_ec 0.1554624E-01 Delta_et -0.2063508E+00 Pxc 0.6955409E+01 Qxc -0.4235419E+01 3,-1 160 3 -1 1.975994 2.981042 -0.844726 Rho 0.1088312E+00 |GRAD(Rho)| 0.1096876E-15 GRAD(Rho)x 0.9803898E-16 GRAD(Rho)y 0.2299864E-16 GRAD(Rho)z -0.4348328E-16 Laplacian 0.4254697E+00 (-1/4)Del**2(Rho)) -0.1063674E+00 Diamond 0.5870933E+00 Metallicity 0.4017910E+01 Ellipticity 0.1050907E-01 Gb(Abramov) 0.1421407E+00 Vb(Abramov) -0.1779140E+00 Hb(Abramov) -0.3577331E-01 Ex_ueg -0.3837569E-01 Ec_ueg -0.5863051E-02 Delta_ex -0.4230980E-01 Delta_ec 0.1167188E-01 Delta_et -0.1474204E+00 Pxc 0.6545346E+01 Qxc -0.3624935E+01 3,-1 161 3 -1 2.008091 -0.893825 3.104116 Rho 0.1269424E+00 |GRAD(Rho)| 0.4205352E-16 GRAD(Rho)x -0.9039536E-17 GRAD(Rho)y -0.3932943E-16 GRAD(Rho)z -0.1183136E-16 Laplacian 0.5122576E+00 (-1/4)Del**2(Rho)) -0.1280644E+00 Diamond 0.8716315E+00 Metallicity 0.4313230E+01 Ellipticity 0.2266714E-02 Gb(Abramov) 0.1774382E+00 Vb(Abramov) -0.2268119E+00 Hb(Abramov) -0.4937375E-01 Ex_ueg -0.4711878E-01 Ec_ueg -0.6984277E-02 Delta_ex -0.5310020E-01 Delta_ec 0.1402657E-01 Delta_et -0.1829029E+00 Pxc 0.6746408E+01 Qxc -0.3785686E+01 3,-1 162 3 -1 1.996104 -0.691296 -2.879944 Rho 0.1352615E+00 |GRAD(Rho)| 0.1012538E-15 GRAD(Rho)x -0.9759175E-16 GRAD(Rho)y 0.2328324E-16 GRAD(Rho)z -0.1364062E-16 Laplacian 0.5287376E+00 (-1/4)Del**2(Rho)) -0.1321844E+00 Diamond 0.9832792E+00 Metallicity 0.4645118E+01 Ellipticity 0.1103353E+00 Gb(Abramov) 0.1904583E+00 Vb(Abramov) -0.2487322E+00 Hb(Abramov) -0.5827390E-01 Ex_ueg -0.5128033E-01 Ec_ueg -0.7506824E-02 Delta_ex -0.5578855E-01 Delta_ec 0.1451411E-01 Delta_et -0.1917752E+00 Pxc 0.6831162E+01 Qxc -0.3843745E+01 3,-1 163 3 -1 1.729149 -0.570782 1.763072 Rho 0.3745252E-01 |GRAD(Rho)| 0.8203593E-13 GRAD(Rho)x 0.5774614E-13 GRAD(Rho)y 0.2390254E-13 GRAD(Rho)z 0.5314081E-13 Laplacian 0.1586244E+00 (-1/4)Del**2(Rho)) -0.3965609E-01 Diamond 0.5795451E-01 Metallicity 0.1821287E+01 Ellipticity 0.3125776E-01 Gb(Abramov) 0.3847491E-01 Vb(Abramov) -0.3729374E-01 Hb(Abramov) 0.1181177E-02 Ex_ueg -0.9254646E-02 Ec_ueg -0.1734048E-02 Delta_ex -0.1238220E-01 Delta_ec 0.5150534E-02 Delta_et -0.5031357E-01 Pxc 0.5337019E+01 Qxc -0.2404062E+01 3,-1 164 3 -1 1.779238 0.465730 -1.739557 Rho 0.3589503E-01 |GRAD(Rho)| 0.2597686E-16 GRAD(Rho)x 0.3303852E-17 GRAD(Rho)y 0.1480508E-17 GRAD(Rho)z 0.2572333E-16 Laplacian 0.1500044E+00 (-1/4)Del**2(Rho)) -0.3750110E-01 Diamond 0.5189765E-01 Metallicity 0.1794320E+01 Ellipticity 0.1329253E-01 Gb(Abramov) 0.3621556E-01 Vb(Abramov) -0.3493002E-01 Hb(Abramov) 0.1285540E-02 Ex_ueg -0.8745089E-02 Ec_ueg -0.1651500E-02 Delta_ex -0.1160091E-01 Delta_ec 0.4891462E-02 Delta_et -0.4722392E-01 Pxc 0.5295240E+01 Qxc -0.2371664E+01 3,-1 165 3 -1 1.853905 0.561493 2.862270 Rho 0.1153875E+00 |GRAD(Rho)| 0.5104121E-16 GRAD(Rho)x 0.1691355E-16 GRAD(Rho)y -0.4353072E-16 GRAD(Rho)z 0.2059645E-16 Laplacian 0.4927567E+00 (-1/4)Del**2(Rho)) -0.1231892E+00 Diamond 0.7499868E+00 Metallicity 0.3824532E+01 Ellipticity 0.3195035E-01 Gb(Abramov) 0.1606496E+00 Vb(Abramov) -0.1981101E+00 Hb(Abramov) -0.3746043E-01 Ex_ueg -0.4148871E-01 Ec_ueg -0.6266248E-02 Delta_ex -0.4997172E-01 Delta_ec 0.1385413E-01 Delta_et -0.1776744E+00 Pxc 0.6620981E+01 Qxc -0.3606992E+01 3,-1 166 3 -1 2.027861 0.796344 -3.028560 Rho 0.9956968E-01 |GRAD(Rho)| 0.1140207E-15 GRAD(Rho)x 0.4126745E-16 GRAD(Rho)y -0.1054048E-15 GRAD(Rho)z 0.1369483E-16 Laplacian 0.4117941E+00 (-1/4)Del**2(Rho)) -0.1029485E+00 Diamond 0.5289142E+00 Metallicity 0.3579411E+01 Ellipticity 0.9735103E-02 Gb(Abramov) 0.1300482E+00 Vb(Abramov) -0.1571479E+00 Hb(Abramov) -0.2709967E-01 Ex_ueg -0.3408431E-01 Ec_ueg -0.5298992E-02 Delta_ex -0.4042415E-01 Delta_ec 0.1209006E-01 Delta_et -0.1507778E+00 Pxc 0.6432226E+01 Qxc -0.3343584E+01 3,-1 167 3 -1 3.017784 2.042583 -0.831282 Rho 0.1577347E+00 |GRAD(Rho)| 0.3250987E-15 GRAD(Rho)x 0.1841111E-15 GRAD(Rho)y -0.2365323E-15 GRAD(Rho)z -0.1258759E-15 Laplacian 0.6197983E+00 (-1/4)Del**2(Rho)) -0.1549496E+00 Diamond 0.1331925E+01 Metallicity 0.5119665E+01 Ellipticity 0.2555165E-01 Gb(Abramov) 0.2355147E+00 Vb(Abramov) -0.3160798E+00 Hb(Abramov) -0.8056513E-01 Ex_ueg -0.6294406E-01 Ec_ueg -0.8940471E-02 Delta_ex -0.6736978E-01 Delta_ec 0.1549114E-01 Delta_et -0.2075252E+00 Pxc 0.7040351E+01 Qxc -0.4348923E+01 3,-1 168 3 -1 2.009064 -3.073555 0.839980 Rho 0.1332926E+00 |GRAD(Rho)| 0.6463760E-12 GRAD(Rho)x 0.3306864E-12 GRAD(Rho)y 0.2690412E-12 GRAD(Rho)z -0.4858655E-12 Laplacian 0.5138797E+00 (-1/4)Del**2(Rho)) -0.1284699E+00 Diamond 0.9080447E+00 Metallicity 0.4664037E+01 Ellipticity 0.1076131E-01 Gb(Abramov) 0.1855114E+00 Vb(Abramov) -0.2425528E+00 Hb(Abramov) -0.5704144E-01 Ex_ueg -0.5028749E-01 Ec_ueg -0.7382742E-02 Delta_ex -0.5367043E-01 Delta_ec 0.1351140E-01 Delta_et -0.1769045E+00 Pxc 0.6811493E+01 Qxc -0.3972234E+01 3,-1 169 3 -1 2.857026 -1.871959 -0.572771 Rho 0.1353085E+00 |GRAD(Rho)| 0.1445162E-15 GRAD(Rho)x 0.1557863E-16 GRAD(Rho)y 0.7911965E-16 GRAD(Rho)z -0.1199263E-15 Laplacian 0.5494676E+00 (-1/4)Del**2(Rho)) -0.1373669E+00 Diamond 0.9849842E+00 Metallicity 0.4472455E+01 Ellipticity 0.2174516E-01 Gb(Abramov) 0.1939725E+00 Vb(Abramov) -0.2505781E+00 Hb(Abramov) -0.5660557E-01 Ex_ueg -0.5130405E-01 Ec_ueg -0.7509784E-02 Delta_ex -0.5755466E-01 Delta_ec 0.1432138E-01 Delta_et -0.1878119E+00 Pxc 0.6831627E+01 Qxc -0.4018792E+01 3,-1 170 3 -1 2.836353 1.850001 0.598796 Rho 0.1733414E+00 |GRAD(Rho)| 0.3650005E-15 GRAD(Rho)x 0.9215718E-17 GRAD(Rho)y 0.1391845E-15 GRAD(Rho)z -0.3372953E-15 Laplacian 0.7071218E+00 (-1/4)Del**2(Rho)) -0.1767804E+00 Diamond 0.1691413E+01 Metallicity 0.5251576E+01 Ellipticity 0.1448622E-01 Gb(Abramov) 0.2725829E+00 Vb(Abramov) -0.3683855E+00 Hb(Abramov) -0.9580251E-01 Ex_ueg -0.7138193E-01 Ec_ueg -0.9954089E-02 Delta_ex -0.7860313E-01 Delta_ec 0.1709774E-01 Delta_et -0.2312383E+00 Pxc 0.7171117E+01 Qxc -0.4597282E+01 3,-1 171 3 -1 3.020991 -0.906761 2.021730 Rho 0.1331506E+00 |GRAD(Rho)| 0.2859764E-13 GRAD(Rho)x -0.7260983E-14 GRAD(Rho)y 0.1836099E-13 GRAD(Rho)z 0.2068761E-13 Laplacian 0.5415454E+00 (-1/4)Del**2(Rho)) -0.1353863E+00 Diamond 0.9699958E+00 Metallicity 0.4417910E+01 Ellipticity 0.2937132E-01 Gb(Abramov) 0.1899450E+00 Vb(Abramov) -0.2445037E+00 Hb(Abramov) -0.5455866E-01 Ex_ueg -0.5021605E-01 Ec_ueg -0.7373799E-02 Delta_ex -0.5671218E-01 Delta_ec 0.1454036E-01 Delta_et -0.1909160E+00 Pxc 0.6810065E+01 Qxc -0.3900329E+01 3,-1 172 3 -1 2.914760 -0.624986 -1.804048 Rho 0.1306067E+00 |GRAD(Rho)| 0.3145368E-15 GRAD(Rho)x -0.5238729E-16 GRAD(Rho)y -0.1986529E-15 GRAD(Rho)z 0.2381721E-15 Laplacian 0.5527952E+00 (-1/4)Del**2(Rho)) -0.1381988E+00 Diamond 0.9733194E+00 Metallicity 0.4191067E+01 Ellipticity 0.1941723E-01 Gb(Abramov) 0.1886659E+00 Vb(Abramov) -0.2391331E+00 Hb(Abramov) -0.5046714E-01 Ex_ueg -0.4894094E-01 Ec_ueg -0.7213877E-02 Delta_ex -0.5769297E-01 Delta_ec 0.1503570E-01 Delta_et -0.1970180E+00 Pxc 0.6784276E+01 Qxc -0.3837067E+01 3,-1 173 3 -1 2.840730 0.581175 1.856793 Rho 0.9512284E-01 |GRAD(Rho)| 0.7696546E-13 GRAD(Rho)x 0.1722146E-13 GRAD(Rho)y 0.5243610E-13 GRAD(Rho)z -0.5364288E-13 Laplacian 0.4165063E+00 (-1/4)Del**2(Rho)) -0.1041266E+00 Diamond 0.5095972E+00 Metallicity 0.3279440E+01 Ellipticity 0.2039001E-01 Gb(Abramov) 0.1263305E+00 Vb(Abramov) -0.1485344E+00 Hb(Abramov) -0.2220394E-01 Ex_ueg -0.3206994E-01 Ec_ueg -0.5030570E-02 Delta_ex -0.4052207E-01 Delta_ec 0.1245745E-01 Delta_et -0.1539969E+00 Pxc 0.6375011E+01 Qxc -0.3252838E+01 3,-1 174 3 -1 3.288917 0.005301 3.269246 Rho 0.2102339E+00 |GRAD(Rho)| 0.6024781E-15 GRAD(Rho)x 0.4040821E-15 GRAD(Rho)y 0.1597030E-15 GRAD(Rho)z 0.4173636E-15 Laplacian 0.7856310E+00 (-1/4)Del**2(Rho)) -0.1964077E+00 Diamond 0.2372759E+01 Metallicity 0.6519772E+01 Ellipticity 0.3491186E-02 Gb(Abramov) 0.3443608E+00 Vb(Abramov) -0.4923138E+00 Hb(Abramov) -0.1479530E+00 Ex_ueg -0.9232557E-01 Ec_ueg -0.1240579E-01 Delta_ex -0.9173912E-01 Delta_ec 0.1806759E-01 Delta_et -0.2487213E+00 Pxc 0.7442137E+01 Qxc -0.5077551E+01 3,-1 175 3 -1 3.058921 0.872429 -1.996990 Rho 0.1066856E+00 |GRAD(Rho)| 0.1839487E-15 GRAD(Rho)x 0.1493353E-15 GRAD(Rho)y 0.6591949E-16 GRAD(Rho)z 0.8479816E-16 Laplacian 0.4492444E+00 (-1/4)Del**2(Rho)) -0.1123111E+00 Diamond 0.6237157E+00 Metallicity 0.3681067E+01 Ellipticity 0.5501834E-02 Gb(Abramov) 0.1437782E+00 Vb(Abramov) -0.1752453E+00 Hb(Abramov) -0.3146709E-01 Ex_ueg -0.3737028E-01 Ec_ueg -0.5731794E-02 Delta_ex -0.4475585E-01 Delta_ec 0.1289804E-01 Delta_et -0.1629985E+00 Pxc 0.6519823E+01 Qxc -0.3469974E+01 3,-1 176 3 -1 3.208553 -3.299466 -0.096263 Rho 0.2288482E+00 |GRAD(Rho)| 0.5979961E-14 GRAD(Rho)x 0.4326238E-14 GRAD(Rho)y 0.2142221E-14 GRAD(Rho)z -0.3529092E-14 Laplacian 0.8351459E+00 (-1/4)Del**2(Rho)) -0.2087865E+00 Diamond 0.2795263E+01 Metallicity 0.7064746E+01 Ellipticity 0.1039136E-01 Gb(Abramov) 0.3850282E+00 Vb(Abramov) -0.5612700E+00 Hb(Abramov) -0.1762418E+00 Ex_ueg -0.1033828E+00 Ec_ueg -0.1367163E-01 Delta_ex -0.9969360E-01 Delta_ec 0.1876860E-01 Delta_et -0.2597300E+00 Pxc 0.7561851E+01 Qxc -0.5311723E+01 3,-1 177 3 -1 -3.238653 -0.034050 3.248560 Rho 0.2354016E+00 |GRAD(Rho)| 0.7095467E-12 GRAD(Rho)x 0.5157150E-12 GRAD(Rho)y 0.1288003E-12 GRAD(Rho)z -0.4700053E-12 Laplacian 0.8675524E+00 (-1/4)Del**2(Rho)) -0.2168881E+00 Diamond 0.2990776E+01 Metallicity 0.7128528E+01 Ellipticity 0.2830961E-02 Gb(Abramov) 0.4022742E+00 Vb(Abramov) -0.5876604E+00 Hb(Abramov) -0.1853861E+00 Ex_ueg -0.1073489E+00 Ec_ueg -0.1412182E-01 Delta_ex -0.1042526E+00 Delta_ec 0.1920746E-01 Delta_et -0.2655787E+00 Pxc 0.7601635E+01 Qxc -0.5427713E+01 3,-1 178 3 -1 -2.851097 0.553009 -1.766766 Rho 0.1511784E+00 |GRAD(Rho)| 0.2340906E-15 GRAD(Rho)x 0.5189263E-16 GRAD(Rho)y -0.1965252E-15 GRAD(Rho)z -0.1161181E-15 Laplacian 0.6399524E+00 (-1/4)Del**2(Rho)) -0.1599881E+00 Diamond 0.1305781E+01 Metallicity 0.4619714E+01 Ellipticity 0.1509366E-01 Gb(Abramov) 0.2298419E+00 Vb(Abramov) -0.2996957E+00 Hb(Abramov) -0.6985383E-01 Ex_ueg -0.5948005E-01 Ec_ueg -0.8518991E-02 Delta_ex -0.6882443E-01 Delta_ec 0.1614691E-01 Delta_et -0.2150436E+00 Pxc 0.6982054E+01 Qxc -0.4262390E+01 3,-1 179 3 -1 -3.299442 0.147217 -3.150446 Rho 0.2353723E+00 |GRAD(Rho)| 0.3474296E-14 GRAD(Rho)x 0.2225975E-14 GRAD(Rho)y -0.8502313E-15 GRAD(Rho)z 0.2528414E-14 Laplacian 0.8766948E+00 (-1/4)Del**2(Rho)) -0.2191737E+00 Diamond 0.3015834E+01 Metallicity 0.7052724E+01 Ellipticity 0.4359033E-02 Gb(Abramov) 0.4037444E+00 Vb(Abramov) -0.5883151E+00 Hb(Abramov) -0.1845707E+00 Ex_ueg -0.1073311E+00 Ec_ueg -0.1411980E-01 Delta_ex -0.1053150E+00 Delta_ec 0.1935201E-01 Delta_et -0.2673228E+00 Pxc 0.7601459E+01 Qxc -0.5442070E+01 3,-1 180 3 -1 -3.016642 0.868368 2.022831 Rho 0.1248281E+00 |GRAD(Rho)| 0.2135098E-15 GRAD(Rho)x -0.7953301E-16 GRAD(Rho)y 0.1914430E-15 GRAD(Rho)z -0.5109303E-16 Laplacian 0.4901741E+00 (-1/4)Del**2(Rho)) -0.1225435E+00 Diamond 0.7962283E+00 Metallicity 0.4383120E+01 Ellipticity 0.2987980E-01 Gb(Abramov) 0.1712162E+00 Vb(Abramov) -0.2198888E+00 Hb(Abramov) -0.4867265E-01 Ex_ueg -0.4607530E-01 Ec_ueg -0.6852204E-02 Delta_ex -0.5033898E-01 Delta_ec 0.1299377E-01 Delta_et -0.1681282E+00 Pxc 0.6724157E+01 Qxc -0.3874084E+01 3,-1 181 3 -1 -3.276955 -3.143878 0.098597 Rho 0.2340461E+00 |GRAD(Rho)| 0.2180629E-15 GRAD(Rho)x 0.1369347E-15 GRAD(Rho)y 0.1653408E-15 GRAD(Rho)z -0.3824523E-16 Laplacian 0.8748902E+00 (-1/4)Del**2(Rho)) -0.2187226E+00 Diamond 0.2987627E+01 Metallicity 0.7001030E+01 Ellipticity 0.4281842E-02 Gb(Abramov) 0.4010289E+00 Vb(Abramov) -0.5833353E+00 Hb(Abramov) -0.1823064E+00 Ex_ueg -0.1065255E+00 Ec_ueg -0.1402851E-01 Delta_ex -0.1049346E+00 Delta_ec 0.1932857E-01 Delta_et -0.2668752E+00 Pxc 0.7593502E+01 Qxc -0.5428992E+01 3,-1 182 3 -1 -0.818057 -3.362046 -1.354952 Rho 0.3163257E+00 |GRAD(Rho)| 0.5971930E-12 GRAD(Rho)x -0.2472513E-12 GRAD(Rho)y 0.1226237E-12 GRAD(Rho)z 0.5295939E-12 Laplacian -0.1611424E+01 (-1/4)Del**2(Rho)) 0.4028560E+00 Diamond 0.5494085E+01 Metallicity -0.6280017E+01 Ellipticity 0.4223770E-02 Gb(Abramov) 0.1530864E+00 Vb(Abramov) -0.7090288E+00 Hb(Abramov) -0.5559424E+00 Ex_ueg -0.1591834E+00 Ec_ueg -0.1987518E-01 Delta_ex 0.1599650E+00 Delta_ec 0.5582695E-01 Delta_et -0.1320352E+01 Pxc 0.8009156E+01 Qxc 0.2865373E+01 3,-1 183 3 -1 3.206431 3.247493 0.080166 Rho 0.2341112E+00 |GRAD(Rho)| 0.8110519E-15 GRAD(Rho)x 0.3316574E-15 GRAD(Rho)y 0.7246807E-15 GRAD(Rho)z 0.1504873E-15 Laplacian 0.8512798E+00 (-1/4)Del**2(Rho)) -0.2128199E+00 Diamond 0.2924665E+01 Metallicity 0.7198543E+01 Ellipticity 0.3406615E-02 Gb(Abramov) 0.3972122E+00 Vb(Abramov) -0.5816045E+00 Hb(Abramov) -0.1843923E+00 Ex_ueg -0.1065650E+00 Ec_ueg -0.1403299E-01 Delta_ex -0.1022020E+00 Delta_ec 0.1896938E-01 Delta_et -0.2626252E+00 Pxc 0.7593894E+01 Qxc -0.5387736E+01 3,-1 184 3 -1 1.204658 -2.331593 -2.013326 Rho 0.4412184E-01 |GRAD(Rho)| 0.1015147E-14 GRAD(Rho)x 0.1963382E-15 GRAD(Rho)y 0.8995133E-15 GRAD(Rho)z -0.4276109E-15 Laplacian 0.1225696E+00 (-1/4)Del**2(Rho)) -0.3064240E-01 Diamond 0.7919024E-01 Metallicity 0.3097323E+01 Ellipticity 0.1089417E-01 Gb(Abramov) 0.3624650E-01 Vb(Abramov) -0.4185060E-01 Hb(Abramov) -0.5604101E-02 Ex_ueg -0.1151481E-01 Ec_ueg -0.2092624E-02 Delta_ex -0.1114090E-01 Delta_ec 0.6089368E-02 Delta_et -0.6257735E-01 Pxc 0.5502567E+01 Qxc -0.1829565E+01 3,-1 185 3 -1 1.217657 -1.831112 -2.628376 Rho 0.3109025E+00 |GRAD(Rho)| 0.3326405E-15 GRAD(Rho)x -0.1788599E-15 GRAD(Rho)y -0.2540908E-15 GRAD(Rho)z -0.1187295E-15 Laplacian -0.1527560E+01 (-1/4)Del**2(Rho)) 0.3818900E+00 Diamond 0.5236064E+01 Metallicity -0.6436582E+01 Ellipticity 0.1649466E-02 Gb(Abramov) 0.1550844E+00 Vb(Abramov) -0.6920587E+00 Hb(Abramov) -0.5369744E+00 Ex_ueg -0.1555550E+00 Ec_ueg -0.1947830E-01 Delta_ex 0.1501054E+00 Delta_ec 0.5383117E-01 Delta_et -0.1260861E+01 Pxc 0.7986067E+01 Qxc 0.2788447E+01 3,-1 186 3 -1 1.828288 -2.853671 -0.577256 Rho 0.1954069E+00 |GRAD(Rho)| 0.5320627E-15 GRAD(Rho)x 0.3555641E-15 GRAD(Rho)y 0.1435890E-15 GRAD(Rho)z 0.3688456E-15 Laplacian 0.7617733E+00 (-1/4)Del**2(Rho)) -0.1904433E+00 Diamond 0.2085441E+01 Metallicity 0.5952331E+01 Ellipticity 0.3827329E-02 Gb(Abramov) 0.3158925E+00 Vb(Abramov) -0.4413417E+00 Hb(Abramov) -0.1254492E+00 Ex_ueg -0.8374742E-01 Ec_ueg -0.1141123E-01 Delta_ex -0.8715226E-01 Delta_ec 0.1760514E-01 Delta_et -0.2400890E+00 Pxc 0.7339035E+01 Qxc -0.4950387E+01 3,-1 187 3 -1 3.376728 -0.039378 -3.223445 Rho 0.2114698E+00 |GRAD(Rho)| 0.3439083E-15 GRAD(Rho)x -0.1394284E-15 GRAD(Rho)y 0.3741853E-16 GRAD(Rho)z 0.3121418E-15 Laplacian 0.7862583E+00 (-1/4)Del**2(Rho)) -0.1965646E+00 Diamond 0.2391678E+01 Metallicity 0.6578527E+01 Ellipticity 0.5279179E-02 Gb(Abramov) 0.3465606E+00 Vb(Abramov) -0.4965567E+00 Hb(Abramov) -0.1499960E+00 Ex_ueg -0.9304999E-01 Ec_ueg -0.1248925E-01 Delta_ex -0.9195231E-01 Delta_ec 0.1805496E-01 Delta_et -0.2486554E+00 Pxc 0.7450409E+01 Qxc -0.5092912E+01 3,-1 188 3 -1 -1.856226 -0.551032 2.839634 Rho 0.1691189E+00 |GRAD(Rho)| 0.2765956E-11 GRAD(Rho)x -0.1925370E-11 GRAD(Rho)y 0.1895558E-11 GRAD(Rho)z -0.5918802E-12 Laplacian 0.6976692E+00 (-1/4)Del**2(Rho)) -0.1744173E+00 Diamond 0.1615651E+01 Metallicity 0.5108390E+01 Ellipticity 0.1567701E-01 Gb(Abramov) 0.2647768E+00 Vb(Abramov) -0.3551363E+00 Hb(Abramov) -0.9035950E-01 Ex_ueg -0.6907296E-01 Ec_ueg -0.9678434E-02 Delta_ex -0.7703675E-01 Delta_ec 0.1691034E-01 Delta_et -0.2278881E+00 Pxc 0.7136791E+01 Qxc -0.4555599E+01 3,-1 189 3 -1 -1.668205 -2.144449 -3.071027 Rho 0.3185231E+00 |GRAD(Rho)| 0.4872740E-15 GRAD(Rho)x -0.2969147E-16 GRAD(Rho)y -0.2016569E-15 GRAD(Rho)z -0.4425933E-15 Laplacian -0.1600338E+01 (-1/4)Del**2(Rho)) 0.4000845E+00 Diamond 0.5568558E+01 Metallicity -0.6396901E+01 Ellipticity 0.2407769E-02 Gb(Abramov) 0.1598271E+00 Vb(Abramov) -0.7197387E+00 Hb(Abramov) -0.5599116E+00 Ex_ueg -0.1606594E+00 Ec_ueg -0.2003645E-01 Delta_ex 0.1590528E+00 Delta_ec 0.5587758E-01 Delta_et -0.1323738E+01 Pxc 0.8018359E+01 Qxc 0.2846452E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 115 116 133 149 112 134 124 121 143 127 139 130 117 144 147 137 131 141 146 102 119 138 157 169 186 152 168 176 55 170 159 167 160 183 59 71 96 75 97 60 57 61 92 58 89 181 100 178 103 63 77 179 82 67 188 180 85 177 163 173 165 171 161 174 164 172 162 175 166 187 120 135 66 88 185 118 106 184 189 90 182 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 17 21 21 25 28 28 36 37 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 19 36 54 27 53 54 52 52 53 2.401382 2.076449 2.060206 1.961780 1.972706 1.792962 1.702574 1.694429 1.711857 1.723783 2.358228 1.993918 1.980407 1.887286 1.894948 1.750058 2.421646 1.922924 1.987593 2.059954 2.096819 1.793781 2.464822 1.957677 1.822193 2.009014 1.972756 1.761710 2.470000 1.859623 1.920691 1.905619 2.052395 1.753075 2.388907 1.986275 1.928013 1.936617 1.877402 1.751037 2.325168 1.912970 1.875457 1.970432 2.014481 1.752596 2.345696 1.910600 1.906875 1.965457 1.962970 1.750410 2.391417 1.988516 1.868870 1.998273 1.896593 1.750670 2.477218 2.084337 2.014648 1.967827 1.985639 1.794451 2.497123 1.964906 1.969091 2.051871 2.078978 1.792448 3.377850 3.139471 3.189631 3.298339 1.003243 3.255248 1.850942 1.716383 0.997230 1.866444 1.001222 2.403558 2.076631 2.060420 1.962102 1.973096 1.792972 1.702590 1.694479 1.711875 1.723791 2.360082 1.994340 1.980817 1.887725 1.895456 1.750069 2.423497 1.923126 1.987849 2.060251 2.097137 1.793786 2.466242 1.957930 1.822383 2.009520 1.973250 1.761732 2.471540 1.859882 1.921040 1.906120 2.052913 1.753086 2.390622 1.986649 1.928452 1.937186 1.877781 1.751047 2.327044 1.913416 1.875731 1.971026 2.015162 1.752610 2.347630 1.911013 1.907288 1.965994 1.963973 1.750419 2.393165 1.988917 1.869170 1.998893 1.897035 1.750678 2.479360 2.084512 2.014834 1.968192 1.985935 1.794457 2.499179 1.965284 1.969833 2.052154 2.079285 1.792453 3.480551 3.141625 3.194445 3.299995 1.003306 3.259077 1.851659 1.720428 0.997298 1.871622 1.001326 32 29 26 29 29 24 24 24 22 23 29 27 26 28 28 23 30 29 25 30 29 26 29 25 22 26 25 22 31 22 27 26 27 24 31 27 28 27 28 25 30 29 27 28 26 21 30 25 29 28 27 21 31 27 23 24 29 23 29 25 25 25 25 25 29 26 25 24 25 23 38 33 35 35 18 38 28 23 17 28 18 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 Ta As W Ta W W W W W W Ta 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 H 2.2118 2.4932 2.4537 2.2283 2.3616 2.4368 2.4538 2.4481 2.4834 2.4460 2.2012 2.2024 -1.1016 -1.0403 -1.1112 -1.1242 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Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:26:42 Nodes: 1 Procs: 1 Jun19-2024 22:26:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:26:50 Nodes: 1 Procs: 1 Jun19-2024 22:26:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:26:54 Nodes: 1 Procs: 1 Jun19-2024 22:26:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:27:02 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -16.87017606 -17.19731688 -17.14964501 -17.03873565 -17.19886623 -17.30463307 -17.32120446 -17.32678275 -17.33544883 -17.33932709 -17.34230776 -17.34137349 -17.34418700 -17.34580402 -17.34628547 -17.34664028 -17.34678427 -17.34686377 -17.34693823 -17.34695540 -17.34698247 -17.34699351 GEOMETRY CONVERGED