ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 01:32:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.01 0.42 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 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 01:32:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 0 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 01:32:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 0.52 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 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 0 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 01:32:44 Hydrogen (TZP) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.34 0.03 1.42 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 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 0 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 01:32:44 Nodes: 1 Procs: 1 Mar10-2024 01:32:45 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 01:32:46 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2674.302100000006 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272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 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 -6.685 -6.654 -6.638 -6.605 -6.542 -6.530 -6.483 -6.342 -6.310 -6.286 -3.445 -3.342 -3.147 -3.063 -2.807 -2.520 -2.502 -2.449 -2.418 -2.353 A A A A A A A A A A A A A A A A A A A A 0.00000000071614 0.00050936876370 0.00033816968651 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 74 74 74 74 74 74 74 74 74 74 74 14 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 1 0.110290 -2.532119 2.513059 0.125723 2.470083 -2.494679 -0.109304 2.514949 2.523483 2.433355 -2.576181 0.019129 2.526697 2.510668 -0.098340 -2.545702 2.495347 0.147306 -2.571004 -2.460310 -0.114296 -2.530873 -0.141295 -2.514362 -2.517690 0.126052 2.581213 2.535138 -0.172169 2.517154 2.580363 0.094652 -2.536314 -0.065391 -0.022114 -0.010313 0.905256 -0.981198 0.926549 -1.116106 -0.893701 -0.903008 0.922547 0.915143 -0.951901 -0.956021 0.961442 0.990327 -3.040444 -1.132261 1.212623 3.052271 -1.131367 -1.122560 -3.031810 1.139763 -1.113642 2.994573 1.165733 1.171102 1.318287 -1.229485 -3.084793 1.127936 1.150842 2.982051 -1.137603 1.066719 -2.995496 -1.158935 -1.127644 3.042340 -1.154996 2.950536 -1.152865 -1.176250 -2.966093 1.172778 1.123145 3.021595 1.124012 1.164932 -3.049597 -1.173047 3.390018 -1.507804 1.537073 -3.521287 -1.514349 -1.476489 3.427740 1.524658 -1.483663 -3.441519 1.523745 1.555761 1.472574 -1.493760 3.448801 1.529364 1.460389 -3.419616 -1.532359 1.553076 3.453422 -1.816643 -1.628015 -3.516161 -1.532269 -3.493231 -1.432392 -1.520403 3.426264 1.509753 1.506328 -3.426156 1.545190 1.513137 3.395494 -1.529668 -0.223665 -3.729946 3.726709 3.845117 -0.133779 -3.705463 -0.207915 3.648877 -3.726780 0.223389 3.733689 3.718577 3.696102 -3.756615 -0.215719 3.712083 3.736964 0.224666 -3.733990 3.718705 -0.187294 -3.783317 -3.662006 0.225149 -3.753894 0.310185 -3.666922 -3.720335 -0.180433 3.796286 3.715655 0.182898 3.741586 -1.525829 -2.367628 -2.914429 -0.547726 -3.339408 -1.310446 1.097431 -1.940738 -2.403166 1 3 -3 0.110290 -2.532119 2.513059 Rho 0.4361414E+07 3,-3 2 3 -3 0.125723 2.470083 -2.494679 Rho 0.4361414E+07 3,-3 3 3 -3 -0.109304 2.514949 2.523483 Rho 0.4361414E+07 3,-3 4 3 -3 2.433355 -2.576181 0.019129 Rho 0.4361414E+07 3,-3 5 3 -3 2.526697 2.510668 -0.098340 Rho 0.4361414E+07 3,-3 6 3 -3 -2.545702 2.495347 0.147306 Rho 0.4361414E+07 3,-3 7 3 -3 -2.571004 -2.460310 -0.114296 Rho 0.4361414E+07 3,-3 8 3 -3 -2.530873 -0.141295 -2.514362 Rho 0.4361414E+07 3,-3 9 3 -3 -2.517690 0.126052 2.581213 Rho 0.4361414E+07 3,-3 10 3 -3 2.535138 -0.172169 2.517154 Rho 0.4361414E+07 3,-3 11 3 -3 2.580363 0.094652 -2.536314 Rho 0.4361415E+07 3,-3 12 3 -3 -0.065391 -0.022114 -0.010313 Rho 0.1943306E+04 3,-3 13 3 -3 0.905256 -0.981198 0.926549 Rho 0.3186678E+03 3,-3 14 3 -3 -1.116106 -0.893701 -0.903008 Rho 0.3186380E+03 3,-3 15 3 -3 0.922547 0.915143 -0.951901 Rho 0.3186661E+03 3,-3 16 3 -3 -0.956021 0.961442 0.990327 Rho 0.3186614E+03 3,-3 17 3 -3 -3.040444 -1.132261 1.212623 Rho 0.3188819E+03 3,-3 18 3 -3 3.052271 -1.131367 -1.122560 Rho 0.3188578E+03 3,-3 19 3 -3 -3.031810 1.139763 -1.113642 Rho 0.3188891E+03 3,-3 20 3 -3 2.994573 1.165733 1.171102 Rho 0.3188679E+03 3,-3 21 3 -3 1.318287 -1.229485 -3.084793 Rho 0.3187424E+03 3,-3 22 3 -3 1.127936 1.150842 2.982051 Rho 0.3188873E+03 3,-3 23 3 -3 -1.137603 1.066719 -2.995496 Rho 0.3188793E+03 3,-3 24 3 -3 -1.158935 -1.127644 3.042340 Rho 0.3188808E+03 3,-3 25 3 -3 -1.154996 2.950536 -1.152865 Rho 0.3188746E+03 3,-3 26 3 -3 -1.176250 -2.966093 1.172778 Rho 0.3188788E+03 3,-3 27 3 -3 1.123145 3.021595 1.124012 Rho 0.3188763E+03 3,-3 28 3 -3 1.164932 -3.049597 -1.173047 Rho 0.3191305E+03 3,-3 29 3 -3 3.390018 -1.507804 1.537073 Rho 0.3190122E+03 3,-3 30 3 -3 -3.521287 -1.514349 -1.476489 Rho 0.3189773E+03 3,-3 31 3 -3 3.427740 1.524658 -1.483663 Rho 0.3189702E+03 3,-3 32 3 -3 -3.441519 1.523745 1.555761 Rho 0.3189665E+03 3,-3 33 3 -3 1.472574 -1.493760 3.448801 Rho 0.3189589E+03 3,-3 34 3 -3 1.529364 1.460389 -3.419616 Rho 0.3189652E+03 3,-3 35 3 -3 -1.532359 1.553076 3.453422 Rho 0.3189671E+03 3,-3 36 3 -3 -1.816643 -1.628015 -3.516161 Rho 0.3187461E+03 3,-3 37 3 -3 -1.532269 -3.493231 -1.432392 Rho 0.3187283E+03 3,-3 38 3 -3 -1.520403 3.426264 1.509753 Rho 0.3189714E+03 3,-3 39 3 -3 1.506328 -3.426156 1.545190 Rho 0.3189568E+03 3,-3 40 3 -3 1.513137 3.395494 -1.529668 Rho 0.3189697E+03 3,-3 41 3 -3 -0.223665 -3.729946 3.726709 Rho 0.3193356E+03 3,-3 42 3 -3 3.845117 -0.133779 -3.705463 Rho 0.3193250E+03 3,-3 43 3 -3 -0.207915 3.648877 -3.726780 Rho 0.3193409E+03 3,-3 44 3 -3 0.223389 3.733689 3.718577 Rho 0.3193286E+03 3,-3 45 3 -3 3.696102 -3.756615 -0.215719 Rho 0.3192985E+03 3,-3 46 3 -3 3.712083 3.736964 0.224666 Rho 0.3193387E+03 3,-3 47 3 -3 -3.733990 3.718705 -0.187294 Rho 0.3193336E+03 3,-3 48 3 -3 -3.783317 -3.662006 0.225149 Rho 0.3193308E+03 3,-3 49 3 -3 -3.753894 0.310185 -3.666922 Rho 0.3193313E+03 3,-3 50 3 -3 -3.720335 -0.180433 3.796286 Rho 0.3193370E+03 3,-3 51 3 -3 3.715655 0.182898 3.741586 Rho 0.3193296E+03 3,-3 52 3 -3 -1.525829 -2.367628 -2.914429 Rho 0.4422367E+00 3,-3 53 3 -3 -0.547726 -3.339408 -1.310446 Rho 0.4337003E+00 3,-3 54 3 -3 1.097431 -1.940738 -2.403166 Rho 0.4264418E+00 3,-3 55 3 +1 -1.744011 -0.451844 0.605561 Rho 0.9538546E-02 |GRAD(Rho)| 0.1747216E-12 GRAD(Rho)x 0.9481326E-13 GRAD(Rho)y 0.1334803E-12 GRAD(Rho)z -0.6100083E-13 Laplacian 0.3838392E-01 (-1/4)Del**2(Rho)) -0.9595979E-02 Diamond 0.1120889E-02 Metallicity 0.7701952E+00 Ellipticity -0.1396161E+01 Gb(Abramov) 0.7629115E-02 Vb(Abramov) -0.5662252E-02 Hb(Abramov) 0.1966863E-02 Ex_ueg -0.1494037E-02 Ec_ueg -0.3471664E-03 Delta_ex -0.1775933E-02 Delta_ec 0.4965566E-03 Delta_et -0.3519409E-02 Pxc 0.4303517E+01 Qxc -0.3576497E+01 3,+1 56 3 +1 -0.596826 -1.641145 0.519411 Rho 0.9388485E-02 |GRAD(Rho)| 0.2067952E-13 GRAD(Rho)x -0.4721486E-15 GRAD(Rho)y -0.1820744E-13 GRAD(Rho)z 0.9793310E-14 Laplacian 0.3745237E-01 (-1/4)Del**2(Rho)) -0.9363093E-02 Diamond 0.1087530E-02 Metallicity 0.7687640E+00 Ellipticity -0.1416187E+01 Gb(Abramov) 0.7441730E-02 Vb(Abramov) -0.5520367E-02 Hb(Abramov) 0.1921363E-02 Ex_ueg -0.1462780E-02 Ec_ueg -0.3403957E-03 Delta_ex -0.1732665E-02 Delta_ec 0.4968782E-03 Delta_et -0.3497166E-02 Pxc 0.4297293E+01 Qxc -0.3487101E+01 3,+1 57 3 -1 -3.192041 0.101568 -3.136550 Rho 0.2416890E+00 |GRAD(Rho)| 0.1966662E-12 GRAD(Rho)x 0.1384617E-12 GRAD(Rho)y -0.5177754E-13 GRAD(Rho)z 0.1297113E-12 Laplacian 0.9223765E+00 (-1/4)Del**2(Rho)) -0.2305941E+00 Diamond 0.3248834E+01 Metallicity 0.7005942E+01 Ellipticity 0.4296900E-02 Gb(Abramov) 0.4229842E+00 Vb(Abramov) -0.6153744E+00 Hb(Abramov) -0.1923901E+00 Ex_ueg -0.1111888E+00 Ec_ueg -0.1455595E-01 Delta_ex -0.1114300E+00 Delta_ec 0.1994764E-01 Delta_et -0.2746537E+00 Pxc 0.7638717E+01 Qxc -0.5586125E+01 3,-1 58 3 +1 -2.927670 0.143555 0.188315 Rho 0.5590448E-02 |GRAD(Rho)| 0.2538779E-15 GRAD(Rho)x -0.2511440E-15 GRAD(Rho)y -0.1450453E-16 GRAD(Rho)z -0.3420928E-16 Laplacian 0.2320932E-01 (-1/4)Del**2(Rho)) -0.5802330E-02 Diamond 0.6164447E-03 Metallicity 0.5228315E+00 Ellipticity -0.3256143E+01 Gb(Abramov) 0.4373827E-02 Vb(Abramov) -0.2945324E-02 Hb(Abramov) 0.1428503E-02 Ex_ueg -0.7327917E-03 Ec_ueg -0.1724100E-03 Delta_ex -0.1169311E-02 Delta_ec 0.7130485E-03 Delta_et -0.4011401E-02 Pxc 0.4250285E+01 Qxc -0.1639876E+01 3,+1 59 3 -1 -3.168025 -0.038514 3.238225 Rho 0.2441528E+00 |GRAD(Rho)| 0.3960902E-10 GRAD(Rho)x -0.2743448E-10 GRAD(Rho)y -0.6961413E-11 GRAD(Rho)z 0.2770852E-10 Laplacian 0.9055482E+00 (-1/4)Del**2(Rho)) -0.2263871E+00 Diamond 0.3248693E+01 Metallicity 0.7257790E+01 Ellipticity 0.1495456E-02 Gb(Abramov) 0.4247697E+00 Vb(Abramov) -0.6231523E+00 Hb(Abramov) -0.1983826E+00 Ex_ueg -0.1127026E+00 Ec_ueg -0.1472666E-01 Delta_ex -0.1097922E+00 Delta_ec 0.1970924E-01 Delta_et -0.2722841E+00 Pxc 0.7652967E+01 Qxc -0.5570597E+01 3,-1 60 3 -1 -1.706278 0.538859 1.751980 Rho 0.5063877E-01 |GRAD(Rho)| 0.1147165E-15 GRAD(Rho)x 0.2801180E-16 GRAD(Rho)y -0.2346408E-16 GRAD(Rho)z 0.1087412E-15 Laplacian 0.1930075E+00 (-1/4)Del**2(Rho)) -0.4825187E-01 Diamond 0.9634531E-01 Metallicity 0.2474634E+01 Ellipticity 0.8642755E-02 Gb(Abramov) 0.5206887E-01 Vb(Abramov) -0.5588586E-01 Hb(Abramov) -0.3816995E-02 Ex_ueg -0.1383660E-01 Ec_ueg -0.2450213E-02 Delta_ex -0.1580226E-01 Delta_ec 0.5508303E-02 Delta_et -0.5820510E-01 Pxc 0.5647099E+01 Qxc -0.2868807E+01 3,-1 61 3 -1 -2.783591 0.537046 -1.765444 Rho 0.1320952E+00 |GRAD(Rho)| 0.9540918E-16 GRAD(Rho)x -0.2973763E-16 GRAD(Rho)y -0.8070530E-16 GRAD(Rho)z -0.4129455E-16 Laplacian 0.5596318E+00 (-1/4)Del**2(Rho)) -0.1399080E+00 Diamond 0.9813942E+00 Metallicity 0.4218803E+01 Ellipticity 0.6348520E-02 Gb(Abramov) 0.1916460E+00 Vb(Abramov) -0.2433840E+00 Hb(Abramov) -0.5173803E-01 Ex_ueg -0.4968605E-01 Ec_ueg -0.7307402E-02 Delta_ex -0.5835905E-01 Delta_ec 0.1481292E-01 Delta_et -0.1937910E+00 Pxc 0.6799415E+01 Qxc -0.3939739E+01 3,-1 62 3 -1 -2.990973 0.867531 2.024707 Rho 0.1356063E+00 |GRAD(Rho)| 0.2289682E-14 GRAD(Rho)x 0.6821529E-15 GRAD(Rho)y -0.1686517E-14 GRAD(Rho)z 0.1390313E-14 Laplacian 0.5353737E+00 (-1/4)Del**2(Rho)) -0.1338434E+00 Diamond 0.9665341E+00 Metallicity 0.4607046E+01 Ellipticity 0.3461182E-01 Gb(Abramov) 0.1919994E+00 Vb(Abramov) -0.2501554E+00 Hb(Abramov) -0.5815598E-01 Ex_ueg -0.5145467E-01 Ec_ueg -0.7528577E-02 Delta_ex -0.5615700E-01 Delta_ec 0.1403364E-01 Delta_et -0.1842743E+00 Pxc 0.6834582E+01 Qxc -0.4001598E+01 3,-1 63 3 +1 -1.748201 1.681088 -1.736833 Rho 0.1201716E-01 |GRAD(Rho)| 0.3882399E-14 GRAD(Rho)x 0.1013297E-14 GRAD(Rho)y -0.2134368E-14 GRAD(Rho)z -0.3080703E-14 Laplacian 0.5993147E-01 (-1/4)Del**2(Rho)) -0.1498287E-01 Diamond 0.2390753E-02 Metallicity 0.7249273E+00 Ellipticity -0.1244549E+01 Gb(Abramov) 0.1179883E-01 Vb(Abramov) -0.8614786E-02 Hb(Abramov) 0.3184041E-02 Ex_ueg -0.2032922E-02 Ec_ueg -0.4603611E-03 Delta_ex -0.2942559E-02 Delta_ec 0.7699684E-03 Delta_et -0.5781596E-02 Pxc 0.4415929E+01 Qxc -0.3821662E+01 3,+1 64 3 -1 -1.718364 1.695398 0.563364 Rho 0.5262616E-01 |GRAD(Rho)| 0.2403914E-14 GRAD(Rho)x 0.9758463E-15 GRAD(Rho)y 0.1518064E-14 GRAD(Rho)z -0.1588083E-14 Laplacian 0.2015979E+00 (-1/4)Del**2(Rho)) -0.5039947E-01 Diamond 0.1061125E+00 Metallicity 0.2526175E+01 Ellipticity 0.9639249E-02 Gb(Abramov) 0.5481929E-01 Vb(Abramov) -0.5923911E-01 Hb(Abramov) -0.4419822E-02 Ex_ueg -0.1456534E-01 Ec_ueg -0.2560544E-02 Delta_ex -0.1667088E-01 Delta_ec 0.5756666E-02 Delta_et -0.6143463E-01 Pxc 0.5688376E+01 Qxc -0.2895926E+01 3,-1 65 3 +3 0.895716 -1.131386 -1.216116 Rho 0.4290739E-02 |GRAD(Rho)| 0.1124258E-13 GRAD(Rho)x 0.8584083E-14 GRAD(Rho)y 0.3690760E-14 GRAD(Rho)z 0.6251998E-14 Laplacian 0.1659462E-01 (-1/4)Del**2(Rho)) -0.4148656E-02 Diamond 0.1249008E-03 Metallicity 0.4704706E+00 Ellipticity -0.5620456E+00 Gb(Abramov) 0.3091074E-02 Vb(Abramov) -0.2033492E-02 Hb(Abramov) 0.1057582E-02 Ex_ueg -0.5149453E-03 Ec_ueg -0.1165192E-03 Delta_ex -0.5847920E-03 Delta_ec 0.1359083E-03 Delta_et -0.8634117E-03 Pxc 0.4419402E+01 Qxc -0.4302841E+01 3,+3 66 3 -1 -1.802273 2.722486 -0.541657 Rho 0.1337540E+00 |GRAD(Rho)| 0.4494721E-15 GRAD(Rho)x -0.4493205E-15 GRAD(Rho)y -0.1032364E-16 GRAD(Rho)z -0.5448116E-17 Laplacian 0.5627021E+00 (-1/4)Del**2(Rho)) -0.1406755E+00 Diamond 0.1000303E+01 Metallicity 0.4283967E+01 Ellipticity 0.9392276E-02 Gb(Abramov) 0.1942252E+00 Vb(Abramov) -0.2477749E+00 Hb(Abramov) -0.5354970E-01 Ex_ueg -0.5051972E-01 Ec_ueg -0.7411797E-02 Delta_ex -0.5884010E-01 Delta_ec 0.1482119E-01 Delta_et -0.1942347E+00 Pxc 0.6816123E+01 Qxc -0.3969999E+01 3,-1 67 3 -1 -1.988364 2.973735 0.871161 Rho 0.1434250E+00 |GRAD(Rho)| 0.1093238E-11 GRAD(Rho)x 0.5909653E-12 GRAD(Rho)y 0.5060042E-12 GRAD(Rho)z 0.7680419E-12 Laplacian 0.5664451E+00 (-1/4)Del**2(Rho)) -0.1416113E+00 Diamond 0.1092371E+01 Metallicity 0.4780756E+01 Ellipticity 0.4287783E-01 Gb(Abramov) 0.2072423E+00 Vb(Abramov) -0.2728734E+00 Hb(Abramov) -0.6563107E-01 Ex_ueg -0.5544785E-01 Ec_ueg -0.8023954E-02 Delta_ex -0.6021531E-01 Delta_ec 0.1461945E-01 Delta_et -0.1935601E+00 Pxc 0.6910290E+01 Qxc -0.4118849E+01 3,-1 68 3 +3 -1.129189 1.093282 -1.086106 Rho 0.5438414E-02 |GRAD(Rho)| 0.2370934E-12 GRAD(Rho)x -0.8205051E-13 GRAD(Rho)y -0.2045285E-12 GRAD(Rho)z 0.8745911E-13 Laplacian 0.2161591E-01 (-1/4)Del**2(Rho)) -0.5403978E-02 Diamond 0.1661493E-03 Metallicity 0.5361588E+00 Ellipticity -0.1521613E+00 Gb(Abramov) 0.4085551E-02 Vb(Abramov) -0.2767123E-02 Hb(Abramov) 0.1318428E-02 Ex_ueg -0.7063416E-03 Ec_ueg -0.1658281E-03 Delta_ex -0.7618077E-03 Delta_ec 0.9041943E-04 Delta_et -0.7398047E-03 Pxc 0.4259481E+01 Qxc -0.8425266E+01 3,+3 69 3 +1 -0.553440 0.504019 -1.642619 Rho 0.9530448E-02 |GRAD(Rho)| 0.1711524E-16 GRAD(Rho)x 0.5962344E-17 GRAD(Rho)y 0.1318370E-16 GRAD(Rho)z -0.9141775E-17 Laplacian 0.3878423E-01 (-1/4)Del**2(Rho)) -0.9696057E-02 Diamond 0.1159504E-02 Metallicity 0.7611674E+00 Ellipticity -0.1409922E+01 Gb(Abramov) 0.7694092E-02 Vb(Abramov) -0.5692127E-02 Hb(Abramov) 0.2001965E-02 Ex_ueg -0.1492346E-02 Ec_ueg -0.3468008E-03 Delta_ex -0.1805155E-02 Delta_ec 0.5215450E-03 Delta_et -0.3678822E-02 Pxc 0.4303178E+01 Qxc -0.3461168E+01 3,+1 70 3 +1 -1.735516 0.583817 -0.419672 Rho 0.9996270E-02 |GRAD(Rho)| 0.7330632E-16 GRAD(Rho)x 0.5123011E-16 GRAD(Rho)y -0.1569102E-16 GRAD(Rho)z 0.5003083E-16 Laplacian 0.4061322E-01 (-1/4)Del**2(Rho)) -0.1015331E-01 Diamond 0.1251619E-02 Metallicity 0.7870621E+00 Ellipticity -0.1393560E+01 Gb(Abramov) 0.8100751E-02 Vb(Abramov) -0.6048196E-02 Hb(Abramov) 0.2052555E-02 Ex_ueg -0.1590385E-02 Ec_ueg -0.3678784E-03 Delta_ex -0.1897336E-02 Delta_ec 0.5169340E-03 Delta_et -0.3713911E-02 Pxc 0.4323128E+01 Qxc -0.3670364E+01 3,+1 71 3 +3 -2.431558 0.088033 0.134900 Rho 0.5112328E-02 |GRAD(Rho)| 0.8419216E-17 GRAD(Rho)x -0.2637848E-17 GRAD(Rho)y 0.7666329E-17 GRAD(Rho)z 0.2269881E-17 Laplacian 0.2155137E-01 (-1/4)Del**2(Rho)) -0.5387842E-02 Diamond 0.2335905E-03 Metallicity 0.4851055E+00 Ellipticity -0.1555518E+00 Gb(Abramov) 0.4027507E-02 Vb(Abramov) -0.2667171E-02 Hb(Abramov) 0.1360335E-02 Ex_ueg -0.6504442E-03 Ec_ueg -0.1517499E-03 Delta_ex -0.8199040E-03 Delta_ec 0.2211802E-03 Delta_et -0.1393719E-02 Pxc 0.4286289E+01 Qxc -0.3706950E+01 3,+3 72 3 +1 1.671974 -0.532943 -0.520266 Rho 0.8476980E-02 |GRAD(Rho)| 0.1873736E-12 GRAD(Rho)x 0.1259813E-12 GRAD(Rho)y -0.1353622E-12 GRAD(Rho)z -0.3024297E-13 Laplacian 0.3385227E-01 (-1/4)Del**2(Rho)) -0.8463068E-02 Diamond 0.8562531E-03 Metallicity 0.7173987E+00 Ellipticity -0.1377424E+01 Gb(Abramov) 0.6653944E-02 Vb(Abramov) -0.4844821E-02 Hb(Abramov) 0.1809124E-02 Ex_ueg -0.1276556E-02 Ec_ueg -0.2994792E-03 Delta_ex -0.1526150E-02 Delta_ec 0.4500621E-03 Delta_et -0.3086231E-02 Pxc 0.4262587E+01 Qxc -0.3390976E+01 3,+1 73 3 +3 -1.131955 -1.068032 1.146407 Rho 0.5269816E-02 |GRAD(Rho)| 0.2114722E-11 GRAD(Rho)x -0.4562112E-13 GRAD(Rho)y -0.2114130E-11 GRAD(Rho)z 0.2060000E-13 Laplacian 0.2082298E-01 (-1/4)Del**2(Rho)) -0.5205746E-02 Diamond 0.1516702E-03 Metallicity 0.5281160E+00 Ellipticity -0.4156659E-01 Gb(Abramov) 0.3928704E-02 Vb(Abramov) -0.2651661E-02 Hb(Abramov) 0.1277042E-02 Ex_ueg -0.6772968E-03 Ec_ueg -0.1585425E-03 Delta_ex -0.7260259E-03 Delta_ec 0.8460888E-04 Delta_et -0.6962767E-03 Pxc 0.4272020E+01 Qxc -0.8580965E+01 3,+3 74 3 +1 -0.533685 -0.524270 1.692011 Rho 0.8847535E-02 |GRAD(Rho)| 0.8079874E-17 GRAD(Rho)x 0.5664358E-17 GRAD(Rho)y 0.1316665E-17 GRAD(Rho)z -0.5609439E-17 Laplacian 0.3524279E-01 (-1/4)Del**2(Rho)) -0.8810697E-02 Diamond 0.9419959E-03 Metallicity 0.7400255E+00 Ellipticity -0.1392543E+01 Gb(Abramov) 0.6960488E-02 Vb(Abramov) -0.5110279E-02 Hb(Abramov) 0.1850209E-02 Ex_ueg -0.1351496E-02 Ec_ueg -0.3160690E-03 Delta_ex -0.1605015E-02 Delta_ec 0.4662224E-03 Delta_et -0.3233839E-02 Pxc 0.4275952E+01 Qxc -0.3442595E+01 3,+1 75 3 +1 -0.164786 0.159198 2.907247 Rho 0.5796322E-02 |GRAD(Rho)| 0.4546797E-15 GRAD(Rho)x -0.3163143E-15 GRAD(Rho)y 0.3263503E-15 GRAD(Rho)z -0.1320686E-16 Laplacian 0.2396670E-01 (-1/4)Del**2(Rho)) -0.5991675E-02 Diamond 0.6808367E-03 Metallicity 0.5377649E+00 Ellipticity -0.4269387E+01 Gb(Abramov) 0.4531469E-02 Vb(Abramov) -0.3071262E-02 Hb(Abramov) 0.1460206E-02 Ex_ueg -0.7689918E-03 Ec_ueg -0.1813411E-03 Delta_ex -0.1225718E-02 Delta_ec 0.7533762E-03 Delta_et -0.4277374E-02 Pxc 0.4240582E+01 Qxc -0.1626966E+01 3,+1 76 3 +1 0.163445 -0.169902 2.927292 Rho 0.5719188E-02 |GRAD(Rho)| 0.1837798E-14 GRAD(Rho)x 0.1293720E-14 GRAD(Rho)y -0.1295951E-14 GRAD(Rho)z 0.1558877E-15 Laplacian 0.2382879E-01 (-1/4)Del**2(Rho)) -0.5957197E-02 Diamond 0.6121899E-03 Metallicity 0.5289344E+00 Ellipticity -0.2315584E+01 Gb(Abramov) 0.4496626E-02 Vb(Abramov) -0.3036054E-02 Hb(Abramov) 0.1460571E-02 Ex_ueg -0.7553778E-03 Ec_ueg -0.1779925E-03 Delta_ex -0.1174592E-02 Delta_ec 0.6760930E-03 Delta_et -0.3852263E-02 Pxc 0.4243875E+01 Qxc -0.1737323E+01 3,+1 77 3 +1 -1.254869 1.215850 2.204631 Rho 0.2929627E-01 |GRAD(Rho)| 0.2289900E-16 GRAD(Rho)x -0.1075569E-16 GRAD(Rho)y -0.1851186E-16 GRAD(Rho)z 0.8123423E-17 Laplacian 0.1137188E+00 (-1/4)Del**2(Rho)) -0.2842970E-01 Diamond 0.1796040E-01 Metallicity 0.1687076E+01 Ellipticity -0.4306106E+01 Gb(Abramov) 0.2694698E-01 Vb(Abramov) -0.2546426E-01 Hb(Abramov) 0.1482723E-02 Ex_ueg -0.6670137E-02 Ec_ueg -0.1307365E-02 Delta_ex -0.7332474E-02 Delta_ec 0.1844355E-02 Delta_et -0.1692489E-01 Pxc 0.5101969E+01 Qxc -0.3975630E+01 3,+1 78 3 -1 0.869883 1.921312 -2.969071 Rho 0.1367300E+00 |GRAD(Rho)| 0.6416625E-15 GRAD(Rho)x -0.4453360E-15 GRAD(Rho)y 0.4520310E-15 GRAD(Rho)z -0.9526071E-16 Laplacian 0.5401403E+00 (-1/4)Del**2(Rho)) -0.1350351E+00 Diamond 0.9852398E+00 Metallicity 0.4629631E+01 Ellipticity 0.3740059E-01 Gb(Abramov) 0.1942171E+00 Vb(Abramov) -0.2533992E+00 Hb(Abramov) -0.5918206E-01 Ex_ueg -0.5202397E-01 Ec_ueg -0.7599534E-02 Delta_ex -0.5677468E-01 Delta_ec 0.1413820E-01 Delta_et -0.1859031E+00 Pxc 0.6845680E+01 Qxc -0.4015694E+01 3,-1 79 3 +1 -0.204368 2.889495 0.177720 Rho 0.5779918E-02 |GRAD(Rho)| 0.3460866E-15 GRAD(Rho)x -0.3279130E-15 GRAD(Rho)y 0.8902171E-16 GRAD(Rho)z 0.6575824E-16 Laplacian 0.2418882E-01 (-1/4)Del**2(Rho)) -0.6047206E-02 Diamond 0.6262690E-03 Metallicity 0.5303158E+00 Ellipticity -0.2291133E+01 Gb(Abramov) 0.4565959E-02 Vb(Abramov) -0.3084711E-02 Hb(Abramov) 0.1481247E-02 Ex_ueg -0.7660915E-03 Ec_ueg -0.1806287E-03 Delta_ex -0.1191794E-02 Delta_ec 0.6807425E-03 Delta_et -0.3893352E-02 Pxc 0.4241249E+01 Qxc -0.1750726E+01 3,+1 80 3 +1 -0.545831 1.636362 -0.499134 Rho 0.9310642E-02 |GRAD(Rho)| 0.5682408E-14 GRAD(Rho)x 0.1565867E-14 GRAD(Rho)y -0.3985941E-14 GRAD(Rho)z 0.3734983E-14 Laplacian 0.3694482E-01 (-1/4)Del**2(Rho)) -0.9236206E-02 Diamond 0.1054418E-02 Metallicity 0.7685857E+00 Ellipticity -0.1411723E+01 Gb(Abramov) 0.7340607E-02 Vb(Abramov) -0.5445007E-02 Hb(Abramov) 0.1895599E-02 Ex_ueg -0.1446631E-02 Ec_ueg -0.3368873E-03 Delta_ex -0.1702992E-02 Delta_ec 0.4856256E-03 Delta_et -0.3414610E-02 Pxc 0.4294111E+01 Qxc -0.3506799E+01 3,+1 81 3 +1 -1.235004 2.174668 1.235309 Rho 0.2994354E-01 |GRAD(Rho)| 0.1500813E-14 GRAD(Rho)x -0.1249844E-15 GRAD(Rho)y 0.4006967E-15 GRAD(Rho)z 0.1440924E-14 Laplacian 0.1177616E+00 (-1/4)Del**2(Rho)) -0.2944041E-01 Diamond 0.1943793E-01 Metallicity 0.1689589E+01 Ellipticity -0.4669420E+01 Gb(Abramov) 0.2791731E-01 Vb(Abramov) -0.2639420E-01 Hb(Abramov) 0.1523103E-02 Ex_ueg -0.6867350E-02 Ec_ueg -0.1340695E-02 Delta_ex -0.7661397E-02 Delta_ec 0.1951037E-02 Delta_et -0.1799129E-01 Pxc 0.5122231E+01 Qxc -0.3926834E+01 3,+1 82 3 -1 0.341461 0.366024 -0.399531 Rho 0.1377938E+00 |GRAD(Rho)| 0.1190510E-15 GRAD(Rho)x -0.5490654E-16 GRAD(Rho)y 0.8520940E-16 GRAD(Rho)z 0.6243217E-16 Laplacian 0.7251011E+00 (-1/4)Del**2(Rho)) -0.1812753E+00 Diamond 0.1606585E+01 Metallicity 0.3493528E+01 Ellipticity 0.3857343E-02 Gb(Abramov) 0.2263986E+00 Vb(Abramov) -0.2715218E+00 Hb(Abramov) -0.4512328E-01 Ex_ueg -0.5256437E-01 Ec_ueg -0.7666783E-02 Delta_ex -0.7938907E-01 Delta_ec 0.2435321E-01 Delta_et -0.3315228E+00 Pxc 0.6856118E+01 Qxc -0.3259902E+01 3,-1 83 3 +1 0.512045 0.470961 1.671926 Rho 0.8844971E-02 |GRAD(Rho)| 0.7763642E-17 GRAD(Rho)x 0.6314634E-17 GRAD(Rho)y -0.3284465E-17 GRAD(Rho)z 0.3100294E-17 Laplacian 0.3564507E-01 (-1/4)Del**2(Rho)) -0.8911268E-02 Diamond 0.9668867E-03 Metallicity 0.7313204E+00 Ellipticity -0.1396375E+01 Gb(Abramov) 0.7027011E-02 Vb(Abramov) -0.5142754E-02 Hb(Abramov) 0.1884257E-02 Ex_ueg -0.1350974E-02 Ec_ueg -0.3159541E-03 Delta_ex -0.1629515E-02 Delta_ec 0.4827918E-03 Delta_et -0.3338889E-02 Pxc 0.4275855E+01 Qxc -0.3375191E+01 3,+1 84 3 +3 1.084314 1.069400 1.071452 Rho 0.4869527E-02 |GRAD(Rho)| 0.2752946E-17 GRAD(Rho)x -0.1026580E-17 GRAD(Rho)y -0.7713889E-18 GRAD(Rho)z -0.2435119E-17 Laplacian 0.1930065E-01 (-1/4)Del**2(Rho)) -0.4825163E-02 Diamond 0.1316314E-03 Metallicity 0.4994813E+00 Ellipticity -0.1475399E+00 Gb(Abramov) 0.3618455E-02 Vb(Abramov) -0.2411747E-02 Hb(Abramov) 0.1206708E-02 Ex_ueg -0.6095848E-03 Ec_ueg -0.1413024E-03 Delta_ex -0.6635306E-03 Delta_ec 0.8784075E-04 Delta_et -0.6840743E-03 Pxc 0.4314046E+01 Qxc -0.7553790E+01 3,+3 85 3 -1 -0.066279 0.060485 2.919184 Rho 0.5804971E-02 |GRAD(Rho)| 0.8147002E-17 GRAD(Rho)x -0.7681594E-17 GRAD(Rho)y -0.2522017E-17 GRAD(Rho)z 0.1003094E-17 Laplacian 0.2357032E-01 (-1/4)Del**2(Rho)) -0.5892580E-02 Diamond 0.7564514E-03 Metallicity 0.5481690E+00 Ellipticity 0.4065732E+01 Gb(Abramov) 0.4466741E-02 Vb(Abramov) -0.3040903E-02 Hb(Abramov) 0.1425838E-02 Ex_ueg -0.7705221E-03 Ec_ueg -0.1817168E-03 Delta_ex -0.1270887E-02 Delta_ec 0.8571224E-03 Delta_et -0.4822424E-02 Pxc 0.4240237E+01 Qxc -0.1482737E+01 3,-1 86 3 +3 0.015148 -0.035570 2.316169 Rho 0.4917437E-02 |GRAD(Rho)| 0.6439893E-17 GRAD(Rho)x 0.1058594E-17 GRAD(Rho)y 0.5450306E-17 GRAD(Rho)z 0.3262785E-17 Laplacian 0.2038899E-01 (-1/4)Del**2(Rho)) -0.5097249E-02 Diamond 0.1889699E-03 Metallicity 0.4805981E+00 Ellipticity -0.2801145E+00 Gb(Abramov) 0.3806454E-02 Vb(Abramov) -0.2515659E-02 Hb(Abramov) 0.1290795E-02 Ex_ueg -0.6175945E-03 Ec_ueg -0.1433615E-03 Delta_ex -0.7484563E-03 Delta_ec 0.1742256E-03 Delta_et -0.1130947E-02 Pxc 0.4307953E+01 Qxc -0.4295903E+01 3,+3 87 3 +1 0.497378 1.675893 0.499588 Rho 0.8681787E-02 |GRAD(Rho)| 0.6014671E-17 GRAD(Rho)x -0.2745012E-17 GRAD(Rho)y -0.4311174E-17 GRAD(Rho)z 0.3170954E-17 Laplacian 0.3475881E-01 (-1/4)Del**2(Rho)) -0.8689703E-02 Diamond 0.9102140E-03 Metallicity 0.7270485E+00 Ellipticity -0.1386196E+01 Gb(Abramov) 0.6846108E-02 Vb(Abramov) -0.5002513E-02 Hb(Abramov) 0.1843595E-02 Ex_ueg -0.1317844E-02 Ec_ueg -0.3086410E-03 Delta_ex -0.1577467E-02 Delta_ec 0.4636496E-03 Delta_et -0.3197371E-02 Pxc 0.4269827E+01 Qxc -0.3402283E+01 3,+1 88 3 +3 -0.011815 2.290822 0.006757 Rho 0.4984457E-02 |GRAD(Rho)| 0.1076497E-16 GRAD(Rho)x 0.6601995E-17 GRAD(Rho)y 0.1389684E-18 GRAD(Rho)z 0.8501707E-17 Laplacian 0.2070490E-01 (-1/4)Del**2(Rho)) -0.5176224E-02 Diamond 0.1959155E-03 Metallicity 0.4840644E+00 Ellipticity -0.2496866E+00 Gb(Abramov) 0.3868420E-02 Vb(Abramov) -0.2560617E-02 Hb(Abramov) 0.1307804E-02 Ex_ueg -0.6288429E-03 Ec_ueg -0.1462440E-03 Delta_ex -0.7631535E-03 Delta_ec 0.1776775E-03 Delta_et -0.1155863E-02 Pxc 0.4299958E+01 Qxc -0.4295161E+01 3,+3 89 3 -1 0.853827 -2.991406 1.985776 Rho 0.1517136E+00 |GRAD(Rho)| 0.1729943E-13 GRAD(Rho)x 0.1449334E-14 GRAD(Rho)y 0.1458701E-13 GRAD(Rho)z -0.9186350E-14 Laplacian 0.5985498E+00 (-1/4)Del**2(Rho)) -0.1496375E+00 Diamond 0.1234651E+01 Metallicity 0.4968443E+01 Ellipticity 0.5509534E-01 Gb(Abramov) 0.2236692E+00 Vb(Abramov) -0.2977009E+00 Hb(Abramov) -0.7403172E-01 Ex_ueg -0.5976098E-01 Ec_ueg -0.8553299E-02 Delta_ex -0.6450781E-01 Delta_ec 0.1523179E-01 Delta_et -0.2032902E+00 Pxc 0.6986893E+01 Qxc -0.4235076E+01 3,-1 90 3 -1 1.908344 -0.619081 -2.801243 Rho 0.1574915E+00 |GRAD(Rho)| 0.2714496E-15 GRAD(Rho)x 0.4862647E-16 GRAD(Rho)y 0.2315585E-15 GRAD(Rho)z 0.1330452E-15 Laplacian 0.6038564E+00 (-1/4)Del**2(Rho)) -0.1509641E+00 Diamond 0.1322793E+01 Metallicity 0.5241327E+01 Ellipticity 0.1122985E+00 Gb(Abramov) 0.2325181E+00 Vb(Abramov) -0.3140721E+00 Hb(Abramov) -0.8155399E-01 Ex_ueg -0.6281467E-01 Ec_ueg -0.8924788E-02 Delta_ex -0.6586886E-01 Delta_ec 0.1555738E-01 Delta_et -0.2095090E+00 Pxc 0.7038226E+01 Qxc -0.4233931E+01 3,-1 91 3 +1 1.861740 -1.768528 -1.723570 Rho 0.1452634E-01 |GRAD(Rho)| 0.7167528E-15 GRAD(Rho)x -0.3901502E-15 GRAD(Rho)y 0.9245534E-16 GRAD(Rho)z -0.5941123E-15 Laplacian 0.6892750E-01 (-1/4)Del**2(Rho)) -0.1723187E-01 Diamond 0.3587234E-02 Metallicity 0.8645983E+00 Ellipticity -0.1386909E+01 Gb(Abramov) 0.1397102E-01 Vb(Abramov) -0.1071017E-01 Hb(Abramov) 0.3260850E-02 Ex_ueg -0.2617741E-02 Ec_ueg -0.5774146E-03 Delta_ex -0.3563770E-02 Delta_ec 0.8933194E-03 Delta_et -0.7016575E-02 Pxc 0.4533556E+01 Qxc -0.3989357E+01 3,+1 92 3 +3 2.297446 -0.010186 0.028557 Rho 0.4602826E-02 |GRAD(Rho)| 0.1057509E-16 GRAD(Rho)x 0.1903323E-17 GRAD(Rho)y 0.1014016E-16 GRAD(Rho)z 0.2320976E-17 Laplacian 0.1909665E-01 (-1/4)Del**2(Rho)) -0.4774163E-02 Diamond 0.1612360E-03 Metallicity 0.4595826E+00 Ellipticity -0.2568375E+00 Gb(Abramov) 0.3548462E-02 Vb(Abramov) -0.2322762E-02 Hb(Abramov) 0.1225701E-02 Ex_ueg -0.5654807E-03 Ec_ueg -0.1298610E-03 Delta_ex -0.6885466E-03 Delta_ec 0.1621752E-03 Delta_et -0.1038130E-02 Pxc 0.4354507E+01 Qxc -0.4245696E+01 3,+3 93 3 +1 2.133125 -1.353113 1.098119 Rho 0.2725463E-01 |GRAD(Rho)| 0.7865864E-16 GRAD(Rho)x -0.7460785E-16 GRAD(Rho)y -0.6301162E-17 GRAD(Rho)z -0.2410699E-16 Laplacian 0.1042073E+00 (-1/4)Del**2(Rho)) -0.2605182E-01 Diamond 0.1450166E-01 Metallicity 0.1632233E+01 Ellipticity -0.3431861E+01 Gb(Abramov) 0.2445499E-01 Vb(Abramov) -0.2285815E-01 Hb(Abramov) 0.1596833E-02 Ex_ueg -0.6057667E-02 Ec_ueg -0.1202888E-02 Delta_ex -0.6550641E-02 Delta_ec 0.1621695E-02 Delta_et -0.1464299E-01 Pxc 0.5035937E+01 Qxc -0.4039380E+01 3,+1 94 3 -1 1.957448 -0.873538 2.996824 Rho 0.1458632E+00 |GRAD(Rho)| 0.1061036E-12 GRAD(Rho)x 0.5868355E-13 GRAD(Rho)y 0.6692898E-13 GRAD(Rho)z -0.5774714E-13 Laplacian 0.5733161E+00 (-1/4)Del**2(Rho)) -0.1433290E+00 Diamond 0.1132696E+01 Metallicity 0.4858049E+01 Ellipticity 0.3678653E-01 Gb(Abramov) 0.2116026E+00 Vb(Abramov) -0.2798762E+00 Hb(Abramov) -0.6827357E-01 Ex_ueg -0.5670822E-01 Ec_ueg -0.8179227E-02 Delta_ex -0.6124336E-01 Delta_ec 0.1481810E-01 Delta_et -0.1968572E+00 Pxc 0.6933201E+01 Qxc -0.4133011E+01 3,-1 95 3 +1 1.259144 -2.191003 1.135586 Rho 0.2902522E-01 |GRAD(Rho)| 0.3489593E-16 GRAD(Rho)x 0.1006041E-16 GRAD(Rho)y -0.1957855E-16 GRAD(Rho)z -0.2707756E-16 Laplacian 0.1125035E+00 (-1/4)Del**2(Rho)) -0.2812588E-01 Diamond 0.1745411E-01 Metallicity 0.1679086E+01 Ellipticity -0.4110730E+01 Gb(Abramov) 0.2662154E-01 Vb(Abramov) -0.2511721E-01 Hb(Abramov) 0.1504332E-02 Ex_ueg -0.6587981E-02 Ec_ueg -0.1293437E-02 Delta_ex -0.7228003E-02 Delta_ec 0.1810667E-02 Delta_et -0.1658143E-01 Pxc 0.5093391E+01 Qxc -0.3991900E+01 3,+1 96 3 +1 -2.180858 1.194431 1.296047 Rho 0.2880786E-01 |GRAD(Rho)| 0.7277796E-16 GRAD(Rho)x -0.5325856E-16 GRAD(Rho)y -0.1015684E-16 GRAD(Rho)z 0.4854891E-16 Laplacian 0.1106619E+00 (-1/4)Del**2(Rho)) -0.2766548E-01 Diamond 0.1693813E-01 Metallicity 0.1685776E+01 Ellipticity -0.4141993E+01 Gb(Abramov) 0.2621662E-01 Vb(Abramov) -0.2476777E-01 Hb(Abramov) 0.1448858E-02 Ex_ueg -0.6522285E-02 Ec_ueg -0.1282281E-02 Delta_ex -0.7090409E-02 Delta_ec 0.1772498E-02 Delta_et -0.1620456E-01 Pxc 0.5086472E+01 Qxc -0.4000235E+01 3,+1 97 3 -1 1.686727 -0.568938 1.691110 Rho 0.4636740E-01 |GRAD(Rho)| 0.5490856E-16 GRAD(Rho)x -0.3900417E-16 GRAD(Rho)y -0.1167847E-17 GRAD(Rho)z -0.3862978E-16 Laplacian 0.1761705E+00 (-1/4)Del**2(Rho)) -0.4404262E-01 Diamond 0.7785202E-01 Metallicity 0.2340820E+01 Ellipticity 0.1618500E-01 Gb(Abramov) 0.4654438E-01 Vb(Abramov) -0.4904615E-01 Hb(Abramov) -0.2501766E-02 Ex_ueg -0.1230275E-01 Ec_ueg -0.2215083E-02 Delta_ex -0.1409790E-01 Delta_ec 0.5018091E-02 Delta_et -0.5182478E-01 Pxc 0.5554078E+01 Qxc -0.2809416E+01 3,-1 98 3 +1 0.391860 -0.786041 -1.755328 Rho 0.5507297E-02 |GRAD(Rho)| 0.7502362E-14 GRAD(Rho)x 0.6177184E-14 GRAD(Rho)y 0.2415853E-14 GRAD(Rho)z -0.3505922E-14 Laplacian 0.2153609E-01 (-1/4)Del**2(Rho)) -0.5384023E-02 Diamond 0.4589125E-03 Metallicity 0.5495540E+00 Ellipticity -0.1838501E+01 Gb(Abramov) 0.4082484E-02 Vb(Abramov) -0.2780945E-02 Hb(Abramov) 0.1301539E-02 Ex_ueg -0.7182953E-03 Ec_ueg -0.1688087E-03 Delta_ex -0.9988066E-03 Delta_ec 0.5134594E-03 Delta_et -0.2936340E-02 Pxc 0.4255083E+01 Qxc -0.1945249E+01 3,+1 99 3 +1 1.659643 0.494943 0.530896 Rho 0.8199802E-02 |GRAD(Rho)| 0.1750792E-14 GRAD(Rho)x -0.1248807E-14 GRAD(Rho)y -0.6839829E-15 GRAD(Rho)z -0.1018783E-14 Laplacian 0.3257454E-01 (-1/4)Del**2(Rho)) -0.8143634E-02 Diamond 0.8020574E-03 Metallicity 0.7053541E+00 Ellipticity -0.1389205E+01 Gb(Abramov) 0.6386447E-02 Vb(Abramov) -0.4629260E-02 Hb(Abramov) 0.1757187E-02 Ex_ueg -0.1221208E-02 Ec_ueg -0.2871099E-03 Delta_ex -0.1463181E-02 Delta_ec 0.4456190E-03 Delta_et -0.3019149E-02 Pxc 0.4253451E+01 Qxc -0.3283481E+01 3,+1 100 3 -1 3.115839 -3.214507 -0.106744 Rho 0.2394082E+00 |GRAD(Rho)| 0.3203042E-15 GRAD(Rho)x 0.1437652E-15 GRAD(Rho)y 0.2838983E-15 GRAD(Rho)z -0.3644275E-16 Laplacian 0.8878302E+00 (-1/4)Del**2(Rho)) -0.2219576E+00 Diamond 0.3115111E+01 Metallicity 0.7164427E+01 Ellipticity 0.1189674E-01 Gb(Abramov) 0.4130048E+00 Vb(Abramov) -0.6040521E+00 Hb(Abramov) -0.1910473E+00 Ex_ueg -0.1097919E+00 Ec_ueg -0.1439821E-01 Delta_ex -0.1071156E+00 Delta_ec 0.1947878E-01 Delta_et -0.2691385E+00 Pxc 0.7625385E+01 Qxc -0.5499092E+01 3,-1 101 3 -1 0.518020 1.658355 -1.689505 Rho 0.5690300E-01 |GRAD(Rho)| 0.1199163E-15 GRAD(Rho)x 0.9016242E-17 GRAD(Rho)y -0.8545631E-16 GRAD(Rho)z 0.8364112E-16 Laplacian 0.2188885E+00 (-1/4)Del**2(Rho)) -0.5472213E-01 Diamond 0.1288437E+00 Metallicity 0.2650221E+01 Ellipticity 0.7739789E-02 Gb(Abramov) 0.6065238E-01 Vb(Abramov) -0.6658262E-01 Hb(Abramov) -0.5930246E-02 Ex_ueg -0.1616461E-01 Ec_ueg -0.2799855E-02 Delta_ex -0.1849148E-01 Delta_ec 0.6292475E-02 Delta_et -0.6851723E-01 Pxc 0.5773374E+01 Qxc -0.2938666E+01 3,-1 102 3 -1 2.921612 -2.001872 0.818825 Rho 0.9972612E-01 |GRAD(Rho)| 0.1574664E-13 GRAD(Rho)x 0.1281925E-13 GRAD(Rho)y -0.8634606E-14 GRAD(Rho)z -0.3011175E-14 Laplacian 0.3977783E+00 (-1/4)Del**2(Rho)) -0.9944456E-01 Diamond 0.4932266E+00 Metallicity 0.3715241E+01 Ellipticity 0.1431107E-02 Gb(Abramov) 0.1278731E+00 Vb(Abramov) -0.1563017E+00 Hb(Abramov) -0.2842857E-01 Ex_ueg -0.3415573E-01 Ec_ueg -0.5308465E-02 Delta_ex -0.3874213E-01 Delta_ec 0.1110287E-01 Delta_et -0.1378500E+00 Pxc 0.6434202E+01 Qxc -0.3489381E+01 3,-1 103 3 +1 2.938392 -0.154296 0.188186 Rho 0.5516660E-02 |GRAD(Rho)| 0.1862265E-17 GRAD(Rho)x -0.6337262E-18 GRAD(Rho)y 0.1717095E-17 GRAD(Rho)z -0.3435248E-18 Laplacian 0.2287594E-01 (-1/4)Del**2(Rho)) -0.5718984E-02 Diamond 0.5879993E-03 Metallicity 0.5188335E+00 Ellipticity -0.2704181E+01 Gb(Abramov) 0.4307189E-02 Vb(Abramov) -0.2895395E-02 Hb(Abramov) 0.1411795E-02 Ex_ueg -0.7199241E-03 Ec_ueg -0.1692141E-03 Delta_ex -0.1142304E-02 Delta_ec 0.6899727E-03 Delta_et -0.3871454E-02 Pxc 0.4254516E+01 Qxc -0.1655579E+01 3,+1 104 3 -1 -3.039799 -0.867533 -1.951871 Rho 0.1296648E+00 |GRAD(Rho)| 0.1525999E-12 GRAD(Rho)x -0.7422247E-13 GRAD(Rho)y -0.1056868E-12 GRAD(Rho)z 0.8128996E-13 Laplacian 0.4977498E+00 (-1/4)Del**2(Rho)) -0.1244375E+00 Diamond 0.8606114E+00 Metallicity 0.4598739E+01 Ellipticity 0.1458664E-01 Gb(Abramov) 0.1783342E+00 Vb(Abramov) -0.2322309E+00 Hb(Abramov) -0.5389674E-01 Ex_ueg -0.4847090E-01 Ec_ueg -0.7154772E-02 Delta_ex -0.5175906E-01 Delta_ec 0.1338447E-01 Delta_et -0.1748491E+00 Pxc 0.6774625E+01 Qxc -0.3867099E+01 3,-1 105 3 -1 -2.779895 -0.542646 1.847299 Rho 0.1433303E+00 |GRAD(Rho)| 0.3187373E-14 GRAD(Rho)x 0.5447506E-15 GRAD(Rho)y 0.2145338E-14 GRAD(Rho)z 0.2293494E-14 Laplacian 0.6026604E+00 (-1/4)Del**2(Rho)) -0.1506651E+00 Diamond 0.1161344E+01 Metallicity 0.4488527E+01 Ellipticity 0.9543393E-02 Gb(Abramov) 0.2131541E+00 Vb(Abramov) -0.2756431E+00 Hb(Abramov) -0.6248901E-01 Ex_ueg -0.5539905E-01 Ec_ueg -0.8017932E-02 Delta_ex -0.6405539E-01 Delta_ec 0.1555769E-01 Delta_et -0.2059643E+00 Pxc 0.6909394E+01 Qxc -0.4117283E+01 3,-1 106 3 +1 -1.763356 -1.714901 1.779643 Rho 0.1233882E-01 |GRAD(Rho)| 0.1522393E-14 GRAD(Rho)x 0.1186153E-14 GRAD(Rho)y -0.8949311E-15 GRAD(Rho)z 0.3313926E-15 Laplacian 0.6215105E-01 (-1/4)Del**2(Rho)) -0.1553776E-01 Diamond 0.2569448E-02 Metallicity 0.7305009E+00 Ellipticity -0.1247273E+01 Gb(Abramov) 0.1225023E-01 Vb(Abramov) -0.8962704E-02 Hb(Abramov) 0.3287529E-02 Ex_ueg -0.2105797E-02 Ec_ueg -0.4752327E-03 Delta_ex -0.3072556E-02 Delta_ec 0.7978156E-03 Delta_et -0.6029852E-02 Pxc 0.4431087E+01 Qxc -0.3851210E+01 3,+1 107 3 -1 -1.998751 -2.993429 -0.802388 Rho 0.1372628E+00 |GRAD(Rho)| 0.1124284E-13 GRAD(Rho)x -0.7934449E-14 GRAD(Rho)y 0.7597547E-14 GRAD(Rho)z -0.2392333E-14 Laplacian 0.5043053E+00 (-1/4)Del**2(Rho)) -0.1260763E+00 Diamond 0.9420691E+00 Metallicity 0.4990847E+01 Ellipticity 0.9795101E-01 Gb(Abramov) 0.1889222E+00 Vb(Abramov) -0.2517680E+00 Hb(Abramov) -0.6284584E-01 Ex_ueg -0.5229443E-01 Ec_ueg -0.7633203E-02 Delta_ex -0.5325857E-01 Delta_ec 0.1354590E-01 Delta_et -0.1789415E+00 Pxc 0.6850916E+01 Qxc -0.3931712E+01 3,-1 108 3 -1 -0.858421 2.981639 1.973526 Rho 0.1368172E+00 |GRAD(Rho)| 0.9062448E-13 GRAD(Rho)x -0.3112590E-13 GRAD(Rho)y -0.6862678E-13 GRAD(Rho)z 0.5034223E-13 Laplacian 0.5375250E+00 (-1/4)Del**2(Rho)) -0.1343813E+00 Diamond 0.9820388E+00 Metallicity 0.4657103E+01 Ellipticity 0.3344436E-01 Gb(Abramov) 0.1938921E+00 Vb(Abramov) -0.2534029E+00 Hb(Abramov) -0.5951080E-01 Ex_ueg -0.5206823E-01 Ec_ueg -0.7605045E-02 Delta_ex -0.5651773E-01 Delta_ec 0.1408403E-01 Delta_et -0.1852421E+00 Pxc 0.6846538E+01 Qxc -0.4012896E+01 3,-1 109 3 -1 -0.544834 1.720031 -2.746183 Rho 0.1349769E+00 |GRAD(Rho)| 0.3124944E-15 GRAD(Rho)x 0.2889263E-15 GRAD(Rho)y 0.1155624E-15 GRAD(Rho)z -0.2862971E-16 Laplacian 0.5706171E+00 (-1/4)Del**2(Rho)) -0.1426543E+00 Diamond 0.1025902E+01 Metallicity 0.4289114E+01 Ellipticity 0.1100407E-01 Gb(Abramov) 0.1970796E+00 Vb(Abramov) -0.2515049E+00 Hb(Abramov) -0.5442530E-01 Ex_ueg -0.5113650E-01 Ec_ueg -0.7488871E-02 Delta_ex -0.5980344E-01 Delta_ec 0.1500457E-01 Delta_et -0.1969382E+00 Pxc 0.6828333E+01 Qxc -0.3985682E+01 3,-1 110 3 -1 -0.529045 1.705098 1.723125 Rho 0.5522912E-01 |GRAD(Rho)| 0.4525854E-16 GRAD(Rho)x -0.1190039E-16 GRAD(Rho)y -0.1949955E-16 GRAD(Rho)z -0.3907024E-16 Laplacian 0.2141180E+00 (-1/4)Del**2(Rho)) -0.5352950E-01 Diamond 0.1213486E+00 Metallicity 0.2577747E+01 Ellipticity 0.1059334E-01 Gb(Abramov) 0.5868391E-01 Vb(Abramov) -0.6383833E-01 Hb(Abramov) -0.5154416E-02 Ex_ueg -0.1553374E-01 Ec_ueg -0.2705896E-02 Delta_ex -0.1796337E-01 Delta_ec 0.6178964E-02 Delta_et -0.6678286E-01 Pxc 0.5740700E+01 Qxc -0.2907181E+01 3,-1 111 3 -1 -0.557266 2.709449 -1.775445 Rho 0.1484420E+00 |GRAD(Rho)| 0.4584817E-15 GRAD(Rho)x -0.3612020E-15 GRAD(Rho)y 0.1449375E-15 GRAD(Rho)z -0.2423463E-15 Laplacian 0.6281820E+00 (-1/4)Del**2(Rho)) -0.1570455E+00 Diamond 0.1256404E+01 Metallicity 0.4565158E+01 Ellipticity 0.1373470E-01 Gb(Abramov) 0.2241866E+00 Vb(Abramov) -0.2913277E+00 Hb(Abramov) -0.6714108E-01 Ex_ueg -0.5804893E-01 Ec_ueg -0.8343856E-02 Delta_ex -0.6728052E-01 Delta_ec 0.1596636E-01 Delta_et -0.2122028E+00 Pxc 0.6957087E+01 Qxc -0.4213894E+01 3,-1 112 3 -1 -0.053316 3.107124 -3.160881 Rho 0.2436309E+00 |GRAD(Rho)| 0.6636017E-14 GRAD(Rho)x -0.4475261E-14 GRAD(Rho)y -0.4046243E-15 GRAD(Rho)z -0.4883138E-14 Laplacian 0.9146574E+00 (-1/4)Del**2(Rho)) -0.2286643E+00 Diamond 0.3263543E+01 Metallicity 0.7159930E+01 Ellipticity 0.1719914E-02 Gb(Abramov) 0.4253130E+00 Vb(Abramov) -0.6219616E+00 Hb(Abramov) -0.1966487E+00 Ex_ueg -0.1123815E+00 Ec_ueg -0.1469047E-01 Delta_ex -0.1107855E+00 Delta_ec 0.1983285E-01 Delta_et -0.2735795E+00 Pxc 0.7649962E+01 Qxc -0.5585960E+01 3,-1 113 3 +1 0.156907 2.882242 -0.180205 Rho 0.5828990E-02 |GRAD(Rho)| 0.1022703E-15 GRAD(Rho)x 0.5511287E-16 GRAD(Rho)y 0.3428152E-17 GRAD(Rho)z -0.8608152E-16 Laplacian 0.2423291E-01 (-1/4)Del**2(Rho)) -0.6058228E-02 Diamond 0.6661271E-03 Metallicity 0.5368625E+00 Ellipticity -0.2961001E+01 Gb(Abramov) 0.4580891E-02 Vb(Abramov) -0.3103555E-02 Hb(Abramov) 0.1477337E-02 Ex_ueg -0.7747760E-03 Ec_ueg -0.1827602E-03 Delta_ex -0.1219898E-02 Delta_ec 0.7245891E-03 Delta_et -0.4135606E-02 Pxc 0.4239303E+01 Qxc -0.1683572E+01 3,+1 114 3 -1 0.008141 2.894707 -0.033888 Rho 0.5858954E-02 |GRAD(Rho)| 0.8506058E-15 GRAD(Rho)x -0.6660588E-15 GRAD(Rho)y -0.9959924E-16 GRAD(Rho)z 0.5195922E-15 Laplacian 0.2374277E-01 (-1/4)Del**2(Rho)) -0.5935692E-02 Diamond 0.7846532E-03 Metallicity 0.5526481E+00 Ellipticity 0.2726066E+01 Gb(Abramov) 0.4503853E-02 Vb(Abramov) -0.3072014E-02 Hb(Abramov) 0.1431839E-02 Ex_ueg -0.7800909E-03 Ec_ueg -0.1840623E-03 Delta_ex -0.1292275E-02 Delta_ec 0.8810087E-03 Delta_et -0.4964728E-02 Pxc 0.4238188E+01 Qxc -0.1466813E+01 3,-1 115 3 -1 0.069218 3.173708 3.169478 Rho 0.2426750E+00 |GRAD(Rho)| 0.2247268E-15 GRAD(Rho)x 0.1971622E-15 GRAD(Rho)y 0.7058156E-16 GRAD(Rho)z -0.8153200E-16 Laplacian 0.9073745E+00 (-1/4)Del**2(Rho)) -0.2268436E+00 Diamond 0.3225680E+01 Metallicity 0.7170260E+01 Ellipticity 0.2750663E-02 Gb(Abramov) 0.4223171E+00 Vb(Abramov) -0.6177905E+00 Hb(Abramov) -0.1954734E+00 Ex_ueg -0.1117940E+00 Ec_ueg -0.1462422E-01 Delta_ex -0.1098081E+00 Delta_ec 0.1973014E-01 Delta_et -0.2722820E+00 Pxc 0.7644438E+01 Qxc -0.5565500E+01 3,-1 116 3 +1 0.067929 -2.922247 0.082335 Rho 0.5307844E-02 |GRAD(Rho)| 0.7676253E-17 GRAD(Rho)x 0.5562254E-17 GRAD(Rho)y 0.6945670E-18 GRAD(Rho)z -0.5244404E-17 Laplacian 0.2141264E-01 (-1/4)Del**2(Rho)) -0.5353159E-02 Diamond 0.5365902E-03 Metallicity 0.5197644E+00 Ellipticity -0.3360343E+01 Gb(Abramov) 0.4032503E-02 Vb(Abramov) -0.2711847E-02 Hb(Abramov) 0.1320656E-02 Ex_ueg -0.6838212E-03 Ec_ueg -0.1601845E-03 Delta_ex -0.1073135E-02 Delta_ec 0.6673430E-03 Delta_et -0.3692588E-02 Pxc 0.4268959E+01 Qxc -0.1608071E+01 3,+1 117 3 -1 0.501567 -1.722334 1.687567 Rho 0.5339984E-01 |GRAD(Rho)| 0.4042132E-16 GRAD(Rho)x -0.2004503E-16 GRAD(Rho)y -0.3119284E-16 GRAD(Rho)z 0.1609617E-16 Laplacian 0.2053032E+00 (-1/4)Del**2(Rho)) -0.5132579E-01 Diamond 0.1107175E+00 Metallicity 0.2541660E+01 Ellipticity 0.7593335E-02 Gb(Abramov) 0.5595931E-01 Vb(Abramov) -0.6059284E-01 Hb(Abramov) -0.4633524E-02 Ex_ueg -0.1485155E-01 Ec_ueg -0.2603649E-02 Delta_ex -0.1705984E-01 Delta_ec 0.5896182E-02 Delta_et -0.6317072E-01 Pxc 0.5704128E+01 Qxc -0.2893370E+01 3,-1 118 3 -1 1.746770 -2.824221 -0.618826 Rho 0.2041041E+00 |GRAD(Rho)| 0.4380030E-15 GRAD(Rho)x 0.3773024E-15 GRAD(Rho)y 0.1674821E-15 GRAD(Rho)z -0.1464215E-15 Laplacian 0.8003730E+00 (-1/4)Del**2(Rho)) -0.2000932E+00 Diamond 0.2315574E+01 Metallicity 0.6091726E+01 Ellipticity 0.4784024E-02 Gb(Abramov) 0.3365477E+00 Vb(Abramov) -0.4730022E+00 Hb(Abramov) -0.1364545E+00 Ex_ueg -0.8875390E-01 Ec_ueg -0.1199314E-01 Delta_ex -0.9263978E-01 Delta_ec 0.1835538E-01 Delta_et -0.2514219E+00 Pxc 0.7400392E+01 Qxc -0.5047010E+01 3,-1 119 3 -1 1.933655 -3.008145 0.830940 Rho 0.1311619E+00 |GRAD(Rho)| 0.6757402E-15 GRAD(Rho)x -0.1440566E-15 GRAD(Rho)y -0.1799572E-15 GRAD(Rho)z 0.6352069E-15 Laplacian 0.5118077E+00 (-1/4)Del**2(Rho)) -0.1279519E+00 Diamond 0.8958139E+00 Metallicity 0.4558822E+01 Ellipticity 0.2507609E-01 Gb(Abramov) 0.1825196E+00 Vb(Abramov) -0.2370873E+00 Hb(Abramov) -0.5456770E-01 Ex_ueg -0.4921854E-01 Ec_ueg -0.7248745E-02 Delta_ex -0.5335110E-01 Delta_ec 0.1369547E-01 Delta_et -0.1791996E+00 Pxc 0.6789939E+01 Qxc -0.3895528E+01 3,-1 120 3 -1 -0.243238 -1.414847 -3.253594 Rho 0.5536807E-02 |GRAD(Rho)| 0.3296473E-15 GRAD(Rho)x -0.1051541E-15 GRAD(Rho)y -0.1918292E-15 GRAD(Rho)z 0.2465999E-15 Laplacian 0.2158155E-01 (-1/4)Del**2(Rho)) -0.5395387E-02 Diamond 0.8335617E-03 Metallicity 0.5533028E+00 Ellipticity 0.1000900E+00 Gb(Abramov) 0.4094472E-02 Vb(Abramov) -0.2793557E-02 Hb(Abramov) 0.1300915E-02 Ex_ueg -0.7234318E-03 Ec_ueg -0.1700864E-03 Delta_ex -0.1302237E-02 Delta_ec 0.1050483E-02 Delta_et -0.5734172E-02 Pxc 0.4253318E+01 Qxc -0.1239655E+01 3,-1 121 3 +1 0.321438 -1.747164 -0.691207 Rho 0.6924064E-02 |GRAD(Rho)| 0.1020645E-12 GRAD(Rho)x -0.9684102E-13 GRAD(Rho)y 0.2918781E-13 GRAD(Rho)z -0.1367684E-13 Laplacian 0.2656755E-01 (-1/4)Del**2(Rho)) -0.6641887E-02 Diamond 0.7023140E-03 Metallicity 0.6524243E+00 Ellipticity -0.1836403E+01 Gb(Abramov) 0.5150146E-02 Vb(Abramov) -0.3658405E-02 Hb(Abramov) 0.1491741E-02 Ex_ueg -0.9746899E-03 Ec_ueg -0.2306302E-03 Delta_ex -0.1253578E-02 Delta_ec 0.5596052E-03 Delta_et -0.3456522E-02 Pxc 0.4226203E+01 Qxc -0.2240111E+01 3,+1 122 3 -1 1.640559 -1.744495 0.470649 Rho 0.4964885E-01 |GRAD(Rho)| 0.1730911E-15 GRAD(Rho)x 0.1206984E-15 GRAD(Rho)y -0.1091910E-15 GRAD(Rho)z -0.5890458E-16 Laplacian 0.1878042E+00 (-1/4)Del**2(Rho)) -0.4695104E-01 Diamond 0.9198479E-01 Metallicity 0.2460877E+01 Ellipticity 0.6940893E-02 Gb(Abramov) 0.5055749E-01 Vb(Abramov) -0.5416393E-01 Hb(Abramov) -0.3606445E-02 Ex_ueg -0.1347713E-01 Ec_ueg -0.2395473E-02 Delta_ex -0.1533070E-01 Delta_ec 0.5416640E-02 Delta_et -0.5696233E-01 Pxc 0.5626082E+01 Qxc -0.2830297E+01 3,-1 123 3 -1 2.748230 -1.803319 -0.587487 Rho 0.1392140E+00 |GRAD(Rho)| 0.5310718E-15 GRAD(Rho)x 0.2141299E-17 GRAD(Rho)y -0.5309880E-15 GRAD(Rho)z 0.9188613E-17 Laplacian 0.5779672E+00 (-1/4)Del**2(Rho)) -0.1444918E+00 Diamond 0.1079493E+01 Metallicity 0.4458423E+01 Ellipticity 0.1145631E-01 Gb(Abramov) 0.2036955E+00 Vb(Abramov) -0.2628991E+00 Hb(Abramov) -0.5920366E-01 Ex_ueg -0.5328792E-01 Ec_ueg -0.7756669E-02 Delta_ex -0.6104093E-01 Delta_ec 0.1510595E-01 Delta_et -0.1992716E+00 Pxc 0.6869949E+01 Qxc -0.4040852E+01 3,-1 124 3 +1 1.300693 2.134609 -1.128684 Rho 0.2840037E-01 |GRAD(Rho)| 0.1466618E-14 GRAD(Rho)x 0.9783365E-15 GRAD(Rho)y -0.1990103E-15 GRAD(Rho)z 0.1074347E-14 Laplacian 0.1078594E+00 (-1/4)Del**2(Rho)) -0.2696485E-01 Diamond 0.1555255E-01 Metallicity 0.1688996E+01 Ellipticity -0.3417173E+01 Gb(Abramov) 0.2556715E-01 Vb(Abramov) -0.2416946E-01 Hb(Abramov) 0.1397695E-02 Ex_ueg -0.6399565E-02 Ec_ueg -0.1261396E-02 Delta_ex -0.6825948E-02 Delta_ec 0.1623688E-02 Delta_et -0.1480973E-01 Pxc 0.5073400E+01 Qxc -0.4203977E+01 3,+1 125 3 -1 2.977459 -0.886790 1.982114 Rho 0.1751129E+00 |GRAD(Rho)| 0.1998277E-14 GRAD(Rho)x 0.1976799E-14 GRAD(Rho)y -0.2921654E-15 GRAD(Rho)z -0.4336809E-17 Laplacian 0.6858965E+00 (-1/4)Del**2(Rho)) -0.1714741E+00 Diamond 0.1673534E+01 Metallicity 0.5506613E+01 Ellipticity 0.5821864E-01 Gb(Abramov) 0.2716897E+00 Vb(Abramov) -0.3719053E+00 Hb(Abramov) -0.1002156E+00 Ex_ueg -0.7235620E-01 Ec_ueg -0.1007004E-01 Delta_ex -0.7654191E-01 Delta_ec 0.1672470E-01 Delta_et -0.2269776E+00 Pxc 0.7185295E+01 Qxc -0.4576579E+01 3,-1 126 3 -1 -1.806385 -1.639821 -0.501498 Rho 0.6361077E-01 |GRAD(Rho)| 0.2360780E-15 GRAD(Rho)x 0.1219058E-15 GRAD(Rho)y 0.1892356E-15 GRAD(Rho)z -0.7114526E-16 Laplacian 0.2488505E+00 (-1/4)Del**2(Rho)) -0.6221262E-01 Diamond 0.1704871E+00 Metallicity 0.2806892E+01 Ellipticity 0.1560430E-01 Gb(Abramov) 0.7057910E-01 Vb(Abramov) -0.7894558E-01 Hb(Abramov) -0.8366478E-02 Ex_ueg -0.1875394E-01 Ec_ueg -0.3179998E-02 Delta_ex -0.2163411E-01 Delta_ec 0.7149261E-02 Delta_et -0.8004634E-01 Pxc 0.5897469E+01 Qxc -0.3026063E+01 3,-1 127 3 +1 -2.295238 -1.159939 -1.227627 Rho 0.3230347E-01 |GRAD(Rho)| 0.8822828E-15 GRAD(Rho)x -0.1209355E-15 GRAD(Rho)y 0.1123044E-15 GRAD(Rho)z 0.8667094E-15 Laplacian 0.1282450E+00 (-1/4)Del**2(Rho)) -0.3206124E-01 Diamond 0.2219256E-01 Metallicity 0.1760576E+01 Ellipticity -0.3682283E+01 Gb(Abramov) 0.3078187E-01 Vb(Abramov) -0.2950250E-01 Hb(Abramov) 0.1279373E-02 Ex_ueg -0.7598314E-02 Ec_ueg -0.1463023E-02 Delta_ex -0.8415976E-02 Delta_ec 0.1944088E-02 Delta_et -0.1825047E-01 Pxc 0.5193570E+01 Qxc -0.4329010E+01 3,+1 128 3 -1 -1.784253 0.503672 -2.755147 Rho 0.1522721E+00 |GRAD(Rho)| 0.6854761E-14 GRAD(Rho)x -0.4892462E-15 GRAD(Rho)y -0.6456316E-14 GRAD(Rho)z -0.2250417E-14 Laplacian 0.6433685E+00 (-1/4)Del**2(Rho)) -0.1608421E+00 Diamond 0.1333769E+01 Metallicity 0.4650723E+01 Ellipticity 0.1430052E-01 Gb(Abramov) 0.2319001E+00 Vb(Abramov) -0.3029581E+00 Hb(Abramov) -0.7105798E-01 Ex_ueg -0.6005448E-01 Ec_ueg -0.8589117E-02 Delta_ex -0.6940857E-01 Delta_ec 0.1637133E-01 Delta_et -0.2186426E+00 Pxc 0.6991926E+01 Qxc -0.4239643E+01 3,-1 129 3 +3 -0.274077 -0.583915 -2.653732 Rho 0.3441688E-02 |GRAD(Rho)| 0.6021138E-14 GRAD(Rho)x 0.3642928E-14 GRAD(Rho)y -0.9187344E-15 GRAD(Rho)z -0.4705221E-14 Laplacian 0.1372605E-01 (-1/4)Del**2(Rho)) -0.3431512E-02 Diamond 0.1188604E-03 Metallicity 0.3938704E+00 Ellipticity -0.6118324E+00 Gb(Abramov) 0.2512937E-02 Vb(Abramov) -0.1594361E-02 Hb(Abramov) 0.9185755E-03 Ex_ueg -0.3837782E-03 Ec_ueg -0.8048126E-04 Delta_ex -0.5217265E-03 Delta_ec 0.2276466E-03 Delta_et -0.1189428E-02 Pxc 0.4768541E+01 Qxc -0.2291826E+01 3,+3 130 3 -1 1.139987 -2.294700 -1.990804 Rho 0.5032253E-01 |GRAD(Rho)| 0.6842097E-15 GRAD(Rho)x 0.2990140E-16 GRAD(Rho)y 0.3964830E-16 GRAD(Rho)z -0.6824052E-15 Laplacian 0.1304719E+00 (-1/4)Del**2(Rho)) -0.3261797E-01 Diamond 0.1054966E+00 Metallicity 0.3622711E+01 Ellipticity 0.1425495E-01 Gb(Abramov) 0.4143956E-01 Vb(Abramov) -0.5026115E-01 Hb(Abramov) -0.8821590E-02 Ex_ueg -0.1372150E-01 Ec_ueg -0.2432710E-02 Delta_ex -0.1241386E-01 Delta_ec 0.6845764E-02 Delta_et -0.7316661E-01 Pxc 0.5640419E+01 Qxc -0.1813363E+01 3,-1 131 3 -1 0.834304 -1.968460 2.992894 Rho 0.1397064E+00 |GRAD(Rho)| 0.1850566E-15 GRAD(Rho)x -0.1993577E-16 GRAD(Rho)y -0.6877908E-16 GRAD(Rho)z 0.1706399E-15 Laplacian 0.5530232E+00 (-1/4)Del**2(Rho)) -0.1382558E+00 Diamond 0.1034789E+01 Metallicity 0.4687021E+01 Ellipticity 0.3735241E-01 Gb(Abramov) 0.2001718E+00 Vb(Abramov) -0.2620879E+00 Hb(Abramov) -0.6191603E-01 Ex_ueg -0.5353938E-01 Ec_ueg -0.7787866E-02 Delta_ex -0.5842916E-01 Delta_ec 0.1439266E-01 Delta_et -0.1898646E+00 Pxc 0.6874718E+01 Qxc -0.4059650E+01 3,-1 132 3 -1 1.147291 -1.780365 -2.554298 Rho 0.3043119E+00 |GRAD(Rho)| 0.1110318E-13 GRAD(Rho)x 0.7310455E-14 GRAD(Rho)y 0.7918271E-14 GRAD(Rho)z 0.2671844E-14 Laplacian -0.1507185E+01 (-1/4)Del**2(Rho)) 0.3767963E+00 Diamond 0.5093719E+01 Metallicity -0.6294746E+01 Ellipticity 0.3076713E-02 Gb(Abramov) 0.1441086E+00 Vb(Abramov) -0.6650135E+00 Hb(Abramov) -0.5209049E+00 Ex_ueg -0.1511740E+00 Ec_ueg -0.1899821E-01 Delta_ex 0.1466275E+00 Delta_ec 0.5352649E-01 Delta_et -0.1241286E+01 Pxc 0.7957277E+01 Qxc 0.2739345E+01 3,-1 133 3 +1 1.231362 -1.188854 2.161175 Rho 0.2771956E-01 |GRAD(Rho)| 0.6506048E-16 GRAD(Rho)x -0.4848564E-16 GRAD(Rho)y 0.2101696E-17 GRAD(Rho)z -0.4333119E-16 Laplacian 0.1051242E+00 (-1/4)Del**2(Rho)) -0.2628105E-01 Diamond 0.1501523E-01 Metallicity 0.1664259E+01 Ellipticity -0.3728600E+01 Gb(Abramov) 0.2481044E-01 Vb(Abramov) -0.2333984E-01 Hb(Abramov) 0.1470604E-02 Ex_ueg -0.6195838E-02 Ec_ueg -0.1226591E-02 Delta_ex -0.6642586E-02 Delta_ec 0.1642792E-02 Delta_et -0.1489077E-01 Pxc 0.5051268E+01 Qxc -0.4043475E+01 3,+1 134 3 +1 -0.154653 -2.151114 -1.070283 Rho 0.7330824E-02 |GRAD(Rho)| 0.1671838E-15 GRAD(Rho)x -0.7415943E-16 GRAD(Rho)y -0.1468806E-15 GRAD(Rho)z -0.2961227E-16 Laplacian 0.2869050E-01 (-1/4)Del**2(Rho)) -0.7172625E-02 Diamond 0.9515508E-03 Metallicity 0.6644512E+00 Ellipticity -0.2535885E+01 Gb(Abramov) 0.5576060E-02 Vb(Abramov) -0.3979495E-02 Hb(Abramov) 0.1596565E-02 Ex_ueg -0.1051773E-02 Ec_ueg -0.2485567E-03 Delta_ex -0.1445211E-02 Delta_ec 0.7359268E-03 Delta_et -0.4544869E-02 Pxc 0.4231523E+01 Qxc -0.1963797E+01 3,+1 135 3 -1 0.032574 -1.975150 -1.021583 Rho 0.7431792E-02 |GRAD(Rho)| 0.5621406E-17 GRAD(Rho)x 0.2873136E-17 GRAD(Rho)y -0.4734914E-17 GRAD(Rho)z -0.9622294E-18 Laplacian 0.2832902E-01 (-1/4)Del**2(Rho)) -0.7082255E-02 Diamond 0.1222370E-02 Metallicity 0.6884476E+00 Ellipticity 0.1286338E+01 Gb(Abramov) 0.5534130E-02 Vb(Abramov) -0.3986005E-02 Hb(Abramov) 0.1548125E-02 Ex_ueg -0.1071132E-02 Ec_ueg -0.2530184E-03 Delta_ex -0.1576476E-02 Delta_ec 0.9859349E-03 Delta_et -0.5992819E-02 Pxc 0.4233417E+01 Qxc -0.1598965E+01 3,-1 136 3 +1 2.155488 1.158575 -1.254777 Rho 0.2690076E-01 |GRAD(Rho)| 0.2083186E-16 GRAD(Rho)x 0.4126909E-17 GRAD(Rho)y 0.3681207E-17 GRAD(Rho)z 0.2008442E-16 Laplacian 0.1037238E+00 (-1/4)Del**2(Rho)) -0.2593094E-01 Diamond 0.1493169E-01 Metallicity 0.1604510E+01 Ellipticity -0.4436426E+01 Gb(Abramov) 0.2422171E-01 Vb(Abramov) -0.2251247E-01 Hb(Abramov) 0.1709237E-02 Ex_ueg -0.5953027E-02 Ec_ueg -0.1184883E-02 Delta_ex -0.6571520E-02 Delta_ec 0.1746997E-02 Delta_et -0.1570060E-01 Pxc 0.5024149E+01 Qxc -0.3761610E+01 3,+1 137 3 +1 2.935452 0.153924 -0.118360 Rho 0.5552832E-02 |GRAD(Rho)| 0.2609164E-17 GRAD(Rho)x -0.2051408E-18 GRAD(Rho)y -0.8154016E-18 GRAD(Rho)z -0.2469975E-17 Laplacian 0.2308536E-01 (-1/4)Del**2(Rho)) -0.5771340E-02 Diamond 0.6315307E-03 Metallicity 0.5197575E+00 Ellipticity -0.3870119E+01 Gb(Abramov) 0.4347510E-02 Vb(Abramov) -0.2923679E-02 Hb(Abramov) 0.1423830E-02 Ex_ueg -0.7262249E-03 Ec_ueg -0.1707805E-03 Delta_ex -0.1180829E-02 Delta_ec 0.7437258E-03 Delta_et -0.4161444E-02 Pxc 0.4252389E+01 Qxc -0.1587721E+01 3,+1 138 3 -1 2.989700 1.974267 -0.836391 Rho 0.1497913E+00 |GRAD(Rho)| 0.4966239E-15 GRAD(Rho)x 0.9317362E-16 GRAD(Rho)y -0.4061286E-15 GRAD(Rho)z -0.2702103E-15 Laplacian 0.5938552E+00 (-1/4)Del**2(Rho)) -0.1484638E+00 Diamond 0.1208613E+01 Metallicity 0.4902416E+01 Ellipticity 0.3775610E-01 Gb(Abramov) 0.2202811E+00 Vb(Abramov) -0.2920983E+00 Hb(Abramov) -0.7181727E-01 Ex_ueg -0.5875350E-01 Ec_ueg -0.8430154E-02 Delta_ex -0.6382425E-01 Delta_ec 0.1520057E-01 Delta_et -0.2026047E+00 Pxc 0.6969446E+01 Qxc -0.4198807E+01 3,-1 139 3 -1 2.760142 1.789315 0.578609 Rho 0.1515138E+00 |GRAD(Rho)| 0.2391912E-14 GRAD(Rho)x -0.2980878E-15 GRAD(Rho)y 0.1795900E-14 GRAD(Rho)z -0.1551493E-14 Laplacian 0.6417966E+00 (-1/4)Del**2(Rho)) -0.1604492E+00 Diamond 0.1319615E+01 Metallicity 0.4623484E+01 Ellipticity 0.1329351E-01 Gb(Abramov) 0.2306051E+00 Vb(Abramov) -0.3007611E+00 Hb(Abramov) -0.7015596E-01 Ex_ueg -0.5965606E-01 Ec_ueg -0.8540489E-02 Delta_ex -0.6912513E-01 Delta_ec 0.1629997E-01 Delta_et -0.2174190E+00 Pxc 0.6985088E+01 Qxc -0.4240813E+01 3,-1 140 3 +3 -1.811903 -1.932733 -1.889527 Rho 0.1132844E-01 |GRAD(Rho)| 0.1824323E-13 GRAD(Rho)x 0.6655426E-15 GRAD(Rho)y -0.1643111E-13 GRAD(Rho)z -0.7898802E-14 Laplacian 0.4956164E-01 (-1/4)Del**2(Rho)) -0.1239041E-01 Diamond 0.1093976E-02 Metallicity 0.7944830E+00 Ellipticity -0.8213663E+00 Gb(Abramov) 0.9900935E-02 Vb(Abramov) -0.7411460E-02 Hb(Abramov) 0.2489475E-02 Ex_ueg -0.1879081E-02 Ec_ueg -0.4286570E-03 Delta_ex -0.2168238E-02 Delta_ec 0.2303623E-03 Delta_et -0.2029860E-02 Pxc 0.4383646E+01 Qxc -0.9412295E+01 3,+3 141 3 +1 -2.164295 -2.142636 -2.028237 Rho 0.1207343E-01 |GRAD(Rho)| 0.9782542E-15 GRAD(Rho)x -0.5097070E-15 GRAD(Rho)y 0.5927527E-15 GRAD(Rho)z 0.5880683E-15 Laplacian 0.5297620E-01 (-1/4)Del**2(Rho)) -0.1324405E-01 Diamond 0.1822523E-02 Metallicity 0.8265142E+00 Ellipticity -0.1242912E+01 Gb(Abramov) 0.1065377E-01 Vb(Abramov) -0.8063482E-02 Hb(Abramov) 0.2590284E-02 Ex_ueg -0.2045625E-02 Ec_ueg -0.4629600E-03 Delta_ex -0.2517036E-02 Delta_ec 0.5248501E-03 Delta_et -0.4066061E-02 Pxc 0.4418579E+01 Qxc -0.4795724E+01 3,+1 142 3 -1 -3.060463 -1.945885 -0.842165 Rho 0.1550897E+00 |GRAD(Rho)| 0.2081708E-15 GRAD(Rho)x 0.1569112E-15 GRAD(Rho)y 0.1088268E-16 GRAD(Rho)z 0.1363655E-15 Laplacian 0.6128813E+00 (-1/4)Del**2(Rho)) -0.1532203E+00 Diamond 0.1299353E+01 Metallicity 0.5033556E+01 Ellipticity 0.6980688E-01 Gb(Abramov) 0.2306874E+00 Vb(Abramov) -0.3081545E+00 Hb(Abramov) -0.7746708E-01 Ex_ueg -0.6154067E-01 Ec_ueg -0.8770118E-02 Delta_ex -0.6642348E-01 Delta_ec 0.1553285E-01 Delta_et -0.2079851E+00 Pxc 0.7017086E+01 Qxc -0.4276323E+01 3,-1 143 3 -1 -2.804057 -1.750267 0.593067 Rho 0.1416596E+00 |GRAD(Rho)| 0.2655616E-15 GRAD(Rho)x -0.1533468E-16 GRAD(Rho)y -0.2512096E-15 GRAD(Rho)z -0.8474395E-16 Laplacian 0.5945357E+00 (-1/4)Del**2(Rho)) -0.1486339E+00 Diamond 0.1131212E+01 Metallicity 0.4461818E+01 Ellipticity 0.1054259E-01 Gb(Abramov) 0.2096189E+00 Vb(Abramov) -0.2706038E+00 Hb(Abramov) -0.6098494E-01 Ex_ueg -0.5453973E-01 Ec_ueg -0.7911764E-02 Delta_ex -0.6302809E-01 Delta_ec 0.1542164E-01 Delta_et -0.2038691E+00 Pxc 0.6893499E+01 Qxc -0.4086989E+01 3,-1 144 3 -1 -1.556535 -2.730662 -2.388222 Rho 0.3258688E-01 |GRAD(Rho)| 0.1139317E-15 GRAD(Rho)x -0.3320304E-16 GRAD(Rho)y -0.3120791E-16 GRAD(Rho)z 0.1044225E-15 Laplacian 0.9646140E-01 (-1/4)Del**2(Rho)) -0.2411535E-01 Diamond 0.4025414E-01 Metallicity 0.2375003E+01 Ellipticity 0.3031052E-01 Gb(Abramov) 0.2562257E-01 Vb(Abramov) -0.2712980E-01 Hb(Abramov) -0.1507223E-02 Ex_ueg -0.7687328E-02 Ec_ueg -0.1477797E-02 Delta_ex -0.8127152E-02 Delta_ec 0.4643328E-02 Delta_et -0.4362127E-01 Pxc 0.5201883E+01 Qxc -0.1750286E+01 3,-1 145 3 +3 -0.101665 -2.316487 -0.138449 Rho 0.4379091E-02 |GRAD(Rho)| 0.8264219E-15 GRAD(Rho)x 0.3678893E-15 GRAD(Rho)y 0.6858788E-15 GRAD(Rho)z 0.2778505E-15 Laplacian 0.1788729E-01 (-1/4)Del**2(Rho)) -0.4471823E-02 Diamond 0.1374280E-03 Metallicity 0.4515527E+00 Ellipticity -0.3008668E+00 Gb(Abramov) 0.3317759E-02 Vb(Abramov) -0.2163696E-02 Hb(Abramov) 0.1154064E-02 Ex_ueg -0.5291316E-03 Ec_ueg -0.1202912E-03 Delta_ex -0.6325880E-03 Delta_ec 0.1445554E-03 Delta_et -0.9257589E-03 Pxc 0.4398756E+01 Qxc -0.4376094E+01 3,+3 146 3 +1 -0.296272 -0.564470 -2.995801 Rho 0.3534857E-02 |GRAD(Rho)| 0.4125917E-14 GRAD(Rho)x 0.3262852E-14 GRAD(Rho)y -0.1717056E-14 GRAD(Rho)z 0.1851676E-14 Laplacian 0.1397608E-01 (-1/4)Del**2(Rho)) -0.3494020E-02 Diamond 0.1566708E-03 Metallicity 0.4044338E+00 Ellipticity -0.1384943E+01 Gb(Abramov) 0.2564863E-02 Vb(Abramov) -0.1635707E-02 Hb(Abramov) 0.9291568E-03 Ex_ueg -0.3976926E-03 Ec_ueg -0.8441706E-04 Delta_ex -0.5804127E-03 Delta_ec 0.3139574E-03 Delta_et -0.1588075E-02 Pxc 0.4711045E+01 Qxc -0.1848699E+01 3,+1 147 3 +1 -1.590604 -1.938985 -1.904840 Rho 0.1142992E-01 |GRAD(Rho)| 0.2648721E-16 GRAD(Rho)x -0.1680630E-16 GRAD(Rho)y -0.6613549E-17 GRAD(Rho)z 0.1937477E-16 Laplacian 0.5025096E-01 (-1/4)Del**2(Rho)) -0.1256274E-01 Diamond 0.1529923E-02 Metallicity 0.7953183E+00 Ellipticity -0.1160692E+01 Gb(Abramov) 0.1004039E-01 Vb(Abramov) -0.7518039E-02 Hb(Abramov) 0.2522350E-02 Ex_ueg -0.1901557E-02 Ec_ueg -0.4333166E-03 Delta_ex -0.2329551E-02 Delta_ec 0.4575476E-03 Delta_et -0.3543550E-02 Pxc 0.4388379E+01 Qxc -0.5091385E+01 3,+1 148 3 -1 0.546210 2.769440 1.774209 Rho 0.1426354E+00 |GRAD(Rho)| 0.1305453E-15 GRAD(Rho)x 0.2894820E-16 GRAD(Rho)y -0.1040021E-15 GRAD(Rho)z -0.7340049E-16 Laplacian 0.5996335E+00 (-1/4)Del**2(Rho)) -0.1499084E+00 Diamond 0.1151291E+01 Metallicity 0.4474789E+01 Ellipticity 0.9088945E-02 Gb(Abramov) 0.2117403E+00 Vb(Abramov) -0.2735723E+00 Hb(Abramov) -0.6183195E-01 Ex_ueg -0.5504121E-01 Ec_ueg -0.7973751E-02 Delta_ex -0.6368486E-01 Delta_ec 0.1554561E-01 Delta_et -0.2057574E+00 Pxc 0.6902801E+01 Qxc -0.4096646E+01 3,-1 149 3 +1 1.311969 1.089994 -2.159945 Rho 0.2851590E-01 |GRAD(Rho)| 0.7281292E-15 GRAD(Rho)x -0.2680922E-15 GRAD(Rho)y 0.6302100E-15 GRAD(Rho)z 0.2472530E-15 Laplacian 0.1105938E+00 (-1/4)Del**2(Rho)) -0.2764845E-01 Diamond 0.1673873E-01 Metallicity 0.1658418E+01 Ellipticity -0.3962433E+01 Gb(Abramov) 0.2607442E-01 Vb(Abramov) -0.2450039E-01 Hb(Abramov) 0.1574033E-02 Ex_ueg -0.6434298E-02 Ec_ueg -0.1267313E-02 Delta_ex -0.7070774E-02 Delta_ec 0.1779102E-02 Delta_et -0.1622525E-01 Pxc 0.5077119E+01 Qxc -0.3974350E+01 3,+1 150 3 -1 0.551084 1.782677 2.752032 Rho 0.1559530E+00 |GRAD(Rho)| 0.3758842E-15 GRAD(Rho)x 0.2310977E-15 GRAD(Rho)y -0.2947133E-15 GRAD(Rho)z 0.3204495E-16 Laplacian 0.6563030E+00 (-1/4)Del**2(Rho)) -0.1640758E+00 Diamond 0.1391652E+01 Metallicity 0.4744220E+01 Ellipticity 0.1645796E-01 Gb(Abramov) 0.2391191E+00 Vb(Abramov) -0.3141624E+00 Hb(Abramov) -0.7504333E-01 Ex_ueg -0.6199784E-01 Ec_ueg -0.8825672E-02 Delta_ex -0.7114121E-01 Delta_ec 0.1645717E-01 Delta_et -0.2201557E+00 Pxc 0.7024716E+01 Qxc -0.4322810E+01 3,-1 151 3 +1 1.723304 1.756064 1.731633 Rho 0.1232191E-01 |GRAD(Rho)| 0.7176707E-16 GRAD(Rho)x -0.2896455E-16 GRAD(Rho)y -0.3010261E-16 GRAD(Rho)z 0.5835581E-16 Laplacian 0.6180901E-01 (-1/4)Del**2(Rho)) -0.1545225E-01 Diamond 0.2550118E-02 Metallicity 0.7328664E+00 Ellipticity -0.1254743E+01 Gb(Abramov) 0.1218891E-01 Vb(Abramov) -0.8925564E-02 Hb(Abramov) 0.3263345E-02 Ex_ueg -0.2101951E-02 Ec_ueg -0.4744499E-03 Delta_ex -0.3054430E-02 Delta_ec 0.7932330E-03 Delta_et -0.5993365E-02 Pxc 0.4430290E+01 Qxc -0.3850608E+01 3,+1 152 3 -1 1.691451 1.682824 -0.519638 Rho 0.4641275E-01 |GRAD(Rho)| 0.1451026E-13 GRAD(Rho)x -0.1201624E-13 GRAD(Rho)y -0.6900569E-14 GRAD(Rho)z -0.4305789E-14 Laplacian 0.1746728E+00 (-1/4)Del**2(Rho)) -0.4366819E-01 Diamond 0.7723371E-01 Metallicity 0.2364740E+01 Ellipticity 0.7891804E-02 Gb(Abramov) 0.4632278E-01 Vb(Abramov) -0.4897737E-01 Hb(Abramov) -0.2654590E-02 Ex_ueg -0.1231879E-01 Ec_ueg -0.2217565E-02 Delta_ex -0.1397869E-01 Delta_ec 0.4970365E-02 Delta_et -0.5134380E-01 Pxc 0.5555099E+01 Qxc -0.2812407E+01 3,-1 153 3 -1 1.976472 2.963342 -0.856992 Rho 0.1355378E+00 |GRAD(Rho)| 0.3604617E-15 GRAD(Rho)x -0.1928660E-15 GRAD(Rho)y -0.2849148E-15 GRAD(Rho)z -0.1075122E-15 Laplacian 0.5350647E+00 (-1/4)Del**2(Rho)) -0.1337662E+00 Diamond 0.9673739E+00 Metallicity 0.4605828E+01 Ellipticity 0.2929091E-01 Gb(Abramov) 0.1918615E+00 Vb(Abramov) -0.2499568E+00 Hb(Abramov) -0.5809528E-01 Ex_ueg -0.5142005E-01 Ec_ueg -0.7524257E-02 Delta_ex -0.5614035E-01 Delta_ec 0.1406763E-01 Delta_et -0.1847854E+00 Pxc 0.6833903E+01 Qxc -0.3990747E+01 3,-1 154 3 -1 1.775176 2.766509 0.552966 Rho 0.1434188E+00 |GRAD(Rho)| 0.7273201E-15 GRAD(Rho)x 0.4959818E-15 GRAD(Rho)y -0.1594523E-15 GRAD(Rho)z -0.5075150E-15 Laplacian 0.6060133E+00 (-1/4)Del**2(Rho)) -0.1515033E+00 Diamond 0.1167296E+01 Metallicity 0.4468288E+01 Ellipticity 0.8918790E-02 Gb(Abramov) 0.2138290E+00 Vb(Abramov) -0.2761546E+00 Hb(Abramov) -0.6232565E-01 Ex_ueg -0.5544468E-01 Ec_ueg -0.8023563E-02 Delta_ex -0.6440692E-01 Delta_ec 0.1561591E-01 Delta_et -0.2066982E+00 Pxc 0.6910232E+01 Qxc -0.4124444E+01 3,-1 155 3 -1 3.167792 3.174001 0.075422 Rho 0.2448637E+00 |GRAD(Rho)| 0.1328603E-10 GRAD(Rho)x 0.9071900E-11 GRAD(Rho)y 0.9387721E-11 GRAD(Rho)z 0.2467774E-11 Laplacian 0.9019827E+00 (-1/4)Del**2(Rho)) -0.2254957E+00 Diamond 0.3252719E+01 Metallicity 0.7321877E+01 Ellipticity 0.1543804E-02 Gb(Abramov) 0.4255057E+00 Vb(Abramov) -0.6255157E+00 Hb(Abramov) -0.2000100E+00 Ex_ueg -0.1131404E+00 Ec_ueg -0.1477598E-01 Delta_ex -0.1094717E+00 Delta_ec 0.1966510E-01 Delta_et -0.2719251E+00 Pxc 0.7657050E+01 Qxc -0.5566800E+01 3,-1 156 3 -1 -1.787965 -0.512499 -1.670276 Rho 0.6433490E-01 |GRAD(Rho)| 0.8929235E-16 GRAD(Rho)x -0.7395529E-16 GRAD(Rho)y 0.4984238E-16 GRAD(Rho)z 0.4413042E-17 Laplacian 0.2532117E+00 (-1/4)Del**2(Rho)) -0.6330292E-01 Diamond 0.1773312E+00 Metallicity 0.2811084E+01 Ellipticity 0.1654353E-01 Gb(Abramov) 0.7186025E-01 Vb(Abramov) -0.8041759E-01 Hb(Abramov) -0.8557334E-02 Ex_ueg -0.1903914E-01 Ec_ueg -0.3221367E-02 Delta_ex -0.2211349E-01 Delta_ec 0.7337922E-02 Delta_et -0.8242394E-01 Pxc 0.5910267E+01 Qxc -0.3013590E+01 3,-1 157 3 -1 -3.188006 3.156888 -0.032420 Rho 0.2434253E+00 |GRAD(Rho)| 0.2884584E-13 GRAD(Rho)x -0.5114941E-14 GRAD(Rho)y -0.2320464E-13 GRAD(Rho)z 0.1635435E-13 Laplacian 0.9060180E+00 (-1/4)Del**2(Rho)) -0.2265045E+00 Diamond 0.3235805E+01 Metallicity 0.7218041E+01 Ellipticity 0.2963322E-02 Gb(Abramov) 0.4234895E+00 Vb(Abramov) -0.6204744E+00 Hb(Abramov) -0.1969850E+00 Ex_ueg -0.1122551E+00 Ec_ueg -0.1467622E-01 Delta_ex -0.1097481E+00 Delta_ec 0.1970993E-01 Delta_et -0.2721495E+00 Pxc 0.7648776E+01 Qxc -0.5568162E+01 3,-1 158 3 +1 -0.324582 -1.226679 -2.522277 Rho 0.3932162E-02 |GRAD(Rho)| 0.4555356E-15 GRAD(Rho)x 0.4267979E-15 GRAD(Rho)y 0.2788644E-16 GRAD(Rho)z -0.1567756E-15 Laplacian 0.1569300E-01 (-1/4)Del**2(Rho)) -0.3923250E-02 Diamond 0.1750784E-03 Metallicity 0.4301561E+00 Ellipticity -0.1287664E+01 Gb(Abramov) 0.2896769E-02 Vb(Abramov) -0.1870287E-02 Hb(Abramov) 0.1026482E-02 Ex_ueg -0.4583813E-03 Ec_ueg -0.1012528E-03 Delta_ex -0.6304824E-03 Delta_ec 0.2887452E-03 Delta_et -0.1543385E-02 Pxc 0.4527096E+01 Qxc -0.2183525E+01 3,+1 159 3 -1 -1.982550 0.884903 3.027671 Rho 0.1438174E+00 |GRAD(Rho)| 0.5671882E-14 GRAD(Rho)x -0.1431689E-14 GRAD(Rho)y 0.5450704E-14 GRAD(Rho)z -0.6405737E-15 Laplacian 0.5682449E+00 (-1/4)Del**2(Rho)) -0.1420612E+00 Diamond 0.1100454E+01 Metallicity 0.4787365E+01 Ellipticity 0.4212066E-01 Gb(Abramov) 0.2080573E+00 Vb(Abramov) -0.2740534E+00 Hb(Abramov) -0.6599607E-01 Ex_ueg -0.5565021E-01 Ec_ueg -0.8048919E-02 Delta_ex -0.6045758E-01 Delta_ec 0.1467510E-01 Delta_et -0.1944164E+00 Pxc 0.6913999E+01 Qxc -0.4119738E+01 3,-1 160 3 -1 -0.767253 -3.371550 -1.336007 Rho 0.3127519E+00 |GRAD(Rho)| 0.7498643E-14 GRAD(Rho)x -0.3782809E-14 GRAD(Rho)y 0.6217924E-14 GRAD(Rho)z 0.1804835E-14 Laplacian -0.1603284E+01 (-1/4)Del**2(Rho)) 0.4008210E+00 Diamond 0.5441901E+01 Metallicity -0.6193498E+01 Ellipticity 0.3191523E-02 Gb(Abramov) 0.1465333E+00 Vb(Abramov) -0.6938876E+00 Hb(Abramov) -0.5473543E+00 Ex_ueg -0.1567900E+00 Ec_ueg -0.1961346E-01 Delta_ex 0.1582632E+00 Delta_ec 0.5587722E-01 Delta_et -0.1314176E+01 Pxc 0.7994001E+01 Qxc 0.2832338E+01 3,-1 161 3 -1 -0.576699 -2.746467 1.794909 Rho 0.1518298E+00 |GRAD(Rho)| 0.1632396E-15 GRAD(Rho)x -0.5946849E-16 GRAD(Rho)y 0.9938746E-16 GRAD(Rho)z 0.1150339E-15 Laplacian 0.6399643E+00 (-1/4)Del**2(Rho)) -0.1599911E+00 Diamond 0.1317529E+01 Metallicity 0.4652851E+01 Ellipticity 0.1602828E-01 Gb(Abramov) 0.2307298E+00 Vb(Abramov) -0.3014686E+00 Hb(Abramov) -0.7073875E-01 Ex_ueg -0.5982203E-01 Ec_ueg -0.8560751E-02 Delta_ex -0.6894729E-01 Delta_ec 0.1621675E-01 Delta_et -0.2163051E+00 Pxc 0.6987941E+01 Qxc -0.4251610E+01 3,-1 162 3 -1 -0.562356 -1.781472 2.779215 Rho 0.1311236E+00 |GRAD(Rho)| 0.8929966E-16 GRAD(Rho)x -0.5610746E-16 GRAD(Rho)y -0.6703080E-16 GRAD(Rho)z 0.1825525E-16 Laplacian 0.5516208E+00 (-1/4)Del**2(Rho)) -0.1379052E+00 Diamond 0.9576025E+00 Metallicity 0.4227731E+01 Ellipticity 0.8431464E-02 Gb(Abramov) 0.1891078E+00 Vb(Abramov) -0.2403104E+00 Hb(Abramov) -0.5120261E-01 Ex_ueg -0.4919937E-01 Ec_ueg -0.7246338E-02 Delta_ex -0.5740713E-01 Delta_ec 0.1460106E-01 Delta_et -0.1907420E+00 Pxc 0.6789549E+01 Qxc -0.3931711E+01 3,-1 163 3 -1 0.024421 -3.235251 -1.265141 Rho 0.3938538E-01 |GRAD(Rho)| 0.1588767E-16 GRAD(Rho)x 0.1565415E-16 GRAD(Rho)y 0.2539146E-17 GRAD(Rho)z -0.9582723E-18 Laplacian 0.1153499E+00 (-1/4)Del**2(Rho)) -0.2883748E-01 Diamond 0.6709898E-01 Metallicity 0.2723669E+01 Ellipticity 0.2529387E-02 Gb(Abramov) 0.3231561E-01 Vb(Abramov) -0.3579374E-01 Hb(Abramov) -0.3478133E-02 Ex_ueg -0.9896884E-02 Ec_ueg -0.1837139E-02 Delta_ex -0.1041656E-01 Delta_ec 0.6068744E-02 Delta_et -0.6033573E-01 Pxc 0.5387117E+01 Qxc -0.1716427E+01 3,-1 164 3 -1 -0.069183 -3.179614 3.169141 Rho 0.2435839E+00 |GRAD(Rho)| 0.1301463E-10 GRAD(Rho)x 0.2492530E-11 GRAD(Rho)y 0.8974680E-11 GRAD(Rho)z -0.9089722E-11 Laplacian 0.9091531E+00 (-1/4)Del**2(Rho)) -0.2272883E+00 Diamond 0.3248182E+01 Metallicity 0.7200958E+01 Ellipticity 0.1936785E-02 Gb(Abramov) 0.4243078E+00 Vb(Abramov) -0.6213272E+00 Hb(Abramov) -0.1970195E+00 Ex_ueg -0.1123526E+00 Ec_ueg -0.1468721E-01 Delta_ex -0.1101395E+00 Delta_ec 0.1976155E-01 Delta_et -0.2728088E+00 Pxc 0.7649690E+01 Qxc -0.5573426E+01 3,-1 165 3 -1 -1.825822 -2.713559 0.568572 Rho 0.1315172E+00 |GRAD(Rho)| 0.2722301E-15 GRAD(Rho)x -0.9919095E-16 GRAD(Rho)y 0.1583545E-15 GRAD(Rho)z -0.1979753E-15 Laplacian 0.5570896E+00 (-1/4)Del**2(Rho)) -0.1392724E+00 Diamond 0.9736024E+00 Metallicity 0.4207190E+01 Ellipticity 0.1446359E-01 Gb(Abramov) 0.1905058E+00 Vb(Abramov) -0.2417393E+00 Hb(Abramov) -0.5123344E-01 Ex_ueg -0.4939636E-01 Ec_ueg -0.7271065E-02 Delta_ex -0.5805396E-01 Delta_ec 0.1479923E-01 Delta_et -0.1935454E+00 Pxc 0.6793553E+01 Qxc -0.3922770E+01 3,-1 166 3 -1 3.013792 0.852414 -1.965698 Rho 0.1338827E+00 |GRAD(Rho)| 0.3984231E-15 GRAD(Rho)x 0.1837790E-15 GRAD(Rho)y 0.3532331E-15 GRAD(Rho)z 0.1387779E-16 Laplacian 0.5410747E+00 (-1/4)Del**2(Rho)) -0.1352687E+00 Diamond 0.9614408E+00 Metallicity 0.4462347E+01 Ellipticity 0.2599751E-01 Gb(Abramov) 0.1907817E+00 Vb(Abramov) -0.2462948E+00 Hb(Abramov) -0.5551306E-01 Ex_ueg -0.5058452E-01 Ec_ueg -0.7419900E-02 Delta_ex -0.5657401E-01 Delta_ec 0.1421664E-01 Delta_et -0.1862796E+00 Pxc 0.6817412E+01 Qxc -0.3979423E+01 3,-1 167 3 -1 -2.788789 1.766674 -0.523661 Rho 0.1493458E+00 |GRAD(Rho)| 0.2453840E-13 GRAD(Rho)x -0.2189404E-14 GRAD(Rho)y 0.1807300E-13 GRAD(Rho)z 0.1645315E-13 Laplacian 0.6305997E+00 (-1/4)Del**2(Rho)) -0.1576499E+00 Diamond 0.1268971E+01 Metallicity 0.4593896E+01 Ellipticity 0.1468587E-01 Gb(Abramov) 0.2258045E+00 Vb(Abramov) -0.2939591E+00 Hb(Abramov) -0.6815458E-01 Ex_ueg -0.5852065E-01 Ec_ueg -0.8401650E-02 Delta_ex -0.6762524E-01 Delta_ec 0.1597692E-01 Delta_et -0.2124626E+00 Pxc 0.6965376E+01 Qxc -0.4232682E+01 3,-1 168 3 -1 -3.005768 1.966987 0.896767 Rho 0.1473915E+00 |GRAD(Rho)| 0.9340708E-15 GRAD(Rho)x 0.2682587E-15 GRAD(Rho)y 0.2442572E-15 GRAD(Rho)z -0.8607346E-15 Laplacian 0.5784815E+00 (-1/4)Del**2(Rho)) -0.1446204E+00 Diamond 0.1156469E+01 Metallicity 0.4899041E+01 Ellipticity 0.4272003E-01 Gb(Abramov) 0.2144971E+00 Vb(Abramov) -0.2843739E+00 Hb(Abramov) -0.6987674E-01 Ex_ueg -0.5750183E-01 Ec_ueg -0.8276742E-02 Delta_ex -0.6194434E-01 Delta_ec 0.1489826E-01 Delta_et -0.1981895E+00 Pxc 0.6947399E+01 Qxc -0.4157823E+01 3,-1 169 3 -1 0.864983 2.945880 -1.969875 Rho 0.1489310E+00 |GRAD(Rho)| 0.1603934E-15 GRAD(Rho)x 0.5285486E-17 GRAD(Rho)y -0.1344817E-15 GRAD(Rho)z -0.8725117E-16 Laplacian 0.5888098E+00 (-1/4)Del**2(Rho)) -0.1472025E+00 Diamond 0.1189453E+01 Metallicity 0.4897185E+01 Ellipticity 0.4887518E-01 Gb(Abramov) 0.2182812E+00 Vb(Abramov) -0.2893600E+00 Hb(Abramov) -0.7107879E-01 Ex_ueg -0.5830401E-01 Ec_ueg -0.8375116E-02 Delta_ex -0.6318633E-01 Delta_ec 0.1508157E-01 Delta_et -0.2008287E+00 Pxc 0.6961576E+01 Qxc -0.4189640E+01 3,-1 170 3 -1 2.813485 -0.560689 -1.780724 Rho 0.1439782E+00 |GRAD(Rho)| 0.5490670E-13 GRAD(Rho)x -0.5230869E-14 GRAD(Rho)y 0.4019095E-13 GRAD(Rho)z -0.3704148E-13 Laplacian 0.5973162E+00 (-1/4)Del**2(Rho)) -0.1493290E+00 Diamond 0.1157977E+01 Metallicity 0.4562854E+01 Ellipticity 0.1516937E-01 Gb(Abramov) 0.2131138E+00 Vb(Abramov) -0.2768986E+00 Hb(Abramov) -0.6378476E-01 Ex_ueg -0.5573319E-01 Ec_ueg -0.8059151E-02 Delta_ex -0.6356444E-01 Delta_ec 0.1541548E-01 Delta_et -0.2042453E+00 Pxc 0.6915516E+01 Qxc -0.4123417E+01 3,-1 171 3 -1 -0.866018 1.993044 3.000588 Rho 0.1395020E+00 |GRAD(Rho)| 0.3158257E-13 GRAD(Rho)x -0.2328969E-13 GRAD(Rho)y 0.2088790E-13 GRAD(Rho)z -0.4329477E-14 Laplacian 0.5501261E+00 (-1/4)Del**2(Rho)) -0.1375315E+00 Diamond 0.1029393E+01 Metallicity 0.4700219E+01 Ellipticity 0.3802819E-01 Gb(Abramov) 0.1994258E+00 Vb(Abramov) -0.2613200E+00 Hb(Abramov) -0.6189422E-01 Ex_ueg -0.5343496E-01 Ec_ueg -0.7774914E-02 Delta_ex -0.5812253E-01 Delta_ec 0.1435829E-01 Delta_et -0.1894428E+00 Pxc 0.6872740E+01 Qxc -0.4048012E+01 3,-1 172 3 -1 -2.145461 -0.943259 -3.020723 Rho 0.1506172E+00 |GRAD(Rho)| 0.1608902E-15 GRAD(Rho)x 0.9488124E-16 GRAD(Rho)y -0.1274480E-15 GRAD(Rho)z -0.2530257E-16 Laplacian 0.5714281E+00 (-1/4)Del**2(Rho)) -0.1428570E+00 Diamond 0.1190095E+01 Metallicity 0.5141730E+01 Ellipticity 0.1231240E+00 Gb(Abramov) 0.2176601E+00 Vb(Abramov) -0.2924631E+00 Hb(Abramov) -0.7480303E-01 Ex_ueg -0.5918585E-01 Ec_ueg -0.8483037E-02 Delta_ex -0.6168923E-01 Delta_ec 0.1495009E-01 Delta_et -0.2002110E+00 Pxc 0.6976965E+01 Qxc -0.4126345E+01 3,-1 173 3 -1 -0.430673 0.384687 0.403609 Rho 0.1354623E+00 |GRAD(Rho)| 0.1931032E-11 GRAD(Rho)x 0.1074223E-11 GRAD(Rho)y -0.1122707E-11 GRAD(Rho)z -0.1146499E-11 Laplacian 0.7097739E+00 (-1/4)Del**2(Rho)) -0.1774435E+00 Diamond 0.1541279E+01 Metallicity 0.3468888E+01 Ellipticity 0.3659567E-02 Gb(Abramov) 0.2208842E+00 Vb(Abramov) -0.2643250E+00 Hb(Abramov) -0.4344078E-01 Ex_ueg -0.5138182E-01 Ec_ueg -0.7519488E-02 Delta_ex -0.7741568E-01 Delta_ec 0.2393838E-01 Delta_et -0.3247668E+00 Pxc 0.6833154E+01 Qxc -0.3233956E+01 3,-1 174 3 +1 0.263206 -1.507980 -1.641731 Rho 0.5495365E-02 |GRAD(Rho)| 0.4172454E-15 GRAD(Rho)x 0.2900376E-15 GRAD(Rho)y -0.2999513E-15 GRAD(Rho)z 0.1033380E-17 Laplacian 0.2140044E-01 (-1/4)Del**2(Rho)) -0.5350111E-02 Diamond 0.4785508E-03 Metallicity 0.5510420E+00 Ellipticity -0.2043029E+01 Gb(Abramov) 0.4058097E-02 Vb(Abramov) -0.2766082E-02 Hb(Abramov) 0.1292014E-02 Ex_ueg -0.7162212E-03 Ec_ueg -0.1682923E-03 Delta_ex -0.1011589E-02 Delta_ec 0.5451008E-03 Delta_et -0.3096922E-02 Pxc 0.4255817E+01 Qxc -0.1855783E+01 3,+1 175 3 -1 0.199821 -1.132284 -1.866822 Rho 0.5770314E-02 |GRAD(Rho)| 0.2346808E-17 GRAD(Rho)x 0.6170635E-18 GRAD(Rho)y 0.2017315E-17 GRAD(Rho)z 0.1028192E-17 Laplacian 0.2255181E-01 (-1/4)Del**2(Rho)) -0.5637952E-02 Diamond 0.7413314E-03 Metallicity 0.5672366E+00 Ellipticity 0.5204200E+00 Gb(Abramov) 0.4291643E-02 Vb(Abramov) -0.2945335E-02 Hb(Abramov) 0.1346309E-02 Ex_ueg -0.7643947E-03 Ec_ueg -0.1802117E-03 Delta_ex -0.1232534E-02 Delta_ec 0.8520910E-03 Delta_et -0.4774408E-02 Pxc 0.4241648E+01 Qxc -0.1446482E+01 3,-1 176 3 -1 1.720748 0.501005 -1.713757 Rho 0.4445141E-01 |GRAD(Rho)| 0.3770856E-16 GRAD(Rho)x -0.2636094E-16 GRAD(Rho)y 0.9739079E-17 GRAD(Rho)z 0.2514333E-16 Laplacian 0.1670516E+00 (-1/4)Del**2(Rho)) -0.4176290E-01 Diamond 0.6955000E-01 Metallicity 0.2300939E+01 Ellipticity 0.1343922E-01 Gb(Abramov) 0.4385758E-01 Vb(Abramov) -0.4595226E-01 Hb(Abramov) -0.2094680E-02 Ex_ueg -0.1162963E-01 Ec_ueg -0.2110545E-02 Delta_ex -0.1321883E-01 Delta_ec 0.4746036E-02 Delta_et -0.4847402E-01 Pxc 0.5510248E+01 Qxc -0.2785236E+01 3,-1 177 3 -1 1.784149 0.528371 2.748578 Rho 0.1243627E+00 |GRAD(Rho)| 0.1502363E-13 GRAD(Rho)x -0.1298508E-13 GRAD(Rho)y 0.1620516E-14 GRAD(Rho)z -0.7380442E-14 Laplacian 0.5253009E+00 (-1/4)Del**2(Rho)) -0.1313252E+00 Diamond 0.8548329E+00 Metallicity 0.4064638E+01 Ellipticity 0.1298135E-01 Gb(Abramov) 0.1765151E+00 Vb(Abramov) -0.2217049E+00 Hb(Abramov) -0.4518983E-01 Ex_ueg -0.4584639E-01 Ec_ueg -0.6823174E-02 Delta_ex -0.5396673E-01 Delta_ec 0.1405979E-01 Delta_et -0.1820205E+00 Pxc 0.6719218E+01 Qxc -0.3838374E+01 3,-1 178 3 -1 3.173396 0.019052 3.179356 Rho 0.2437704E+00 |GRAD(Rho)| 0.7523553E-15 GRAD(Rho)x 0.3937822E-15 GRAD(Rho)y 0.2178433E-15 GRAD(Rho)z 0.6029248E-15 Laplacian 0.8990191E+00 (-1/4)Del**2(Rho)) -0.2247548E+00 Diamond 0.3225005E+01 Metallicity 0.7291427E+01 Ellipticity 0.4185592E-02 Gb(Abramov) 0.4229670E+00 Vb(Abramov) -0.6211793E+00 Hb(Abramov) -0.1982122E+00 Ex_ueg -0.1124673E+00 Ec_ueg -0.1470014E-01 Delta_ex -0.1089862E+00 Delta_ec 0.1963049E-01 Delta_et -0.2714316E+00 Pxc 0.7650766E+01 Qxc -0.5551884E+01 3,-1 179 3 -1 -1.789383 -0.543638 2.810259 Rho 0.1527585E+00 |GRAD(Rho)| 0.2760422E-15 GRAD(Rho)x -0.1515444E-15 GRAD(Rho)y 0.2134794E-15 GRAD(Rho)z 0.8752222E-16 Laplacian 0.6432657E+00 (-1/4)Del**2(Rho)) -0.1608164E+00 Diamond 0.1332735E+01 Metallicity 0.4676259E+01 Ellipticity 0.1629055E-01 Gb(Abramov) 0.2325475E+00 Vb(Abramov) -0.3042786E+00 Hb(Abramov) -0.7173107E-01 Ex_ueg -0.6031042E-01 Ec_ueg -0.8620334E-02 Delta_ex -0.6939422E-01 Delta_ec 0.1625262E-01 Delta_et -0.2169102E+00 Pxc 0.6996298E+01 Qxc -0.4269725E+01 3,-1 180 3 -1 2.009834 0.820939 -2.989047 Rho 0.1453632E+00 |GRAD(Rho)| 0.1183935E-15 GRAD(Rho)x -0.1166873E-16 GRAD(Rho)y -0.1168770E-15 GRAD(Rho)z -0.1485357E-16 Laplacian 0.5733318E+00 (-1/4)Del**2(Rho)) -0.1433330E+00 Diamond 0.1129348E+01 Metallicity 0.4830194E+01 Ellipticity 0.3696732E-01 Gb(Abramov) 0.2109430E+00 Vb(Abramov) -0.2785530E+00 Hb(Abramov) -0.6761002E-01 Ex_ueg -0.5644919E-01 Ec_ueg -0.8147356E-02 Delta_ex -0.6120701E-01 Delta_ec 0.1485476E-01 Delta_et -0.1972964E+00 Pxc 0.6928529E+01 Qxc -0.4120365E+01 3,-1 181 3 -1 3.264421 -0.028276 -3.168763 Rho 0.2439316E+00 |GRAD(Rho)| 0.2204009E-15 GRAD(Rho)x -0.1783513E-15 GRAD(Rho)y 0.3022214E-17 GRAD(Rho)z 0.1294537E-15 Laplacian 0.8942669E+00 (-1/4)Del**2(Rho)) -0.2235667E+00 Diamond 0.3212793E+01 Metallicity 0.7338256E+01 Ellipticity 0.3167034E-02 Gb(Abramov) 0.4224761E+00 Vb(Abramov) -0.6213855E+00 Hb(Abramov) -0.1989094E+00 Ex_ueg -0.1125665E+00 Ec_ueg -0.1471132E-01 Delta_ex -0.1084407E+00 Delta_ec 0.1954406E-01 Delta_et -0.2703377E+00 Pxc 0.7651694E+01 Qxc -0.5548526E+01 3,-1 182 3 -1 2.940569 0.038129 -0.001567 Rho 0.5565865E-02 |GRAD(Rho)| 0.3251660E-17 GRAD(Rho)x -0.1103499E-17 GRAD(Rho)y 0.2973959E-17 GRAD(Rho)z -0.7149487E-18 Laplacian 0.2263202E-01 (-1/4)Del**2(Rho)) -0.5658004E-02 Diamond 0.7037284E-03 Metallicity 0.5322443E+00 Ellipticity 0.3966901E+01 Gb(Abramov) 0.4273909E-02 Vb(Abramov) -0.2889815E-02 Hb(Abramov) 0.1384095E-02 Ex_ueg -0.7284984E-03 Ec_ueg -0.1713450E-03 Delta_ex -0.1224687E-02 Delta_ec 0.8478833E-03 Delta_et -0.4701281E-02 Pxc 0.4251647E+01 Qxc -0.1444405E+01 3,-1 183 3 -1 2.763037 0.539118 1.798226 Rho 0.1350537E+00 |GRAD(Rho)| 0.2819133E-15 GRAD(Rho)x 0.3851289E-16 GRAD(Rho)y -0.1746108E-15 GRAD(Rho)z 0.2179517E-15 Laplacian 0.5697272E+00 (-1/4)Del**2(Rho)) -0.1424318E+00 Diamond 0.1027256E+01 Metallicity 0.4299887E+01 Ellipticity 0.1118778E-01 Gb(Abramov) 0.1970280E+00 Vb(Abramov) -0.2516241E+00 Hb(Abramov) -0.5459617E-01 Ex_ueg -0.5117530E-01 Ec_ueg -0.7493714E-02 Delta_ex -0.5974422E-01 Delta_ec 0.1502523E-01 Delta_et -0.1973174E+00 Pxc 0.6829096E+01 Qxc -0.3976260E+01 3,-1 184 3 -1 0.334179 -0.419066 0.377235 Rho 0.1379838E+00 |GRAD(Rho)| 0.2145245E-15 GRAD(Rho)x 0.9129441E-16 GRAD(Rho)y -0.1294482E-15 GRAD(Rho)z 0.1446695E-15 Laplacian 0.7264494E+00 (-1/4)Del**2(Rho)) -0.1816123E+00 Diamond 0.1614202E+01 Metallicity 0.3495060E+01 Ellipticity 0.1256134E-02 Gb(Abramov) 0.2268659E+00 Vb(Abramov) -0.2721195E+00 Hb(Abramov) -0.4525356E-01 Ex_ueg -0.5266101E-01 Ec_ueg -0.7678799E-02 Delta_ex -0.7958358E-01 Delta_ec 0.2443022E-01 Delta_et -0.3327252E+00 Pxc 0.6857975E+01 Qxc -0.3257587E+01 3,-1 185 3 -1 -3.226069 -3.109635 0.067363 Rho 0.2415605E+00 |GRAD(Rho)| 0.7812325E-15 GRAD(Rho)x 0.2146720E-16 GRAD(Rho)y -0.7799750E-15 GRAD(Rho)z 0.3876023E-16 Laplacian 0.9205085E+00 (-1/4)Del**2(Rho)) -0.2301271E+00 Diamond 0.3243156E+01 Metallicity 0.7013935E+01 Ellipticity 0.1816854E-02 Gb(Abramov) 0.4224342E+00 Vb(Abramov) -0.6147413E+00 Hb(Abramov) -0.1923071E+00 Ex_ueg -0.1111099E+00 Ec_ueg -0.1454705E-01 Delta_ex -0.1112045E+00 Delta_ec 0.1993848E-01 Delta_et -0.2746515E+00 Pxc 0.7637969E+01 Qxc -0.5577383E+01 3,-1 186 3 -1 -1.590212 -2.199960 -3.048051 Rho 0.3182058E+00 |GRAD(Rho)| 0.7981356E-15 GRAD(Rho)x 0.2910534E-15 GRAD(Rho)y -0.6996810E-15 GRAD(Rho)z 0.2505091E-15 Laplacian -0.1613565E+01 (-1/4)Del**2(Rho)) 0.4033913E+00 Diamond 0.5613770E+01 Metallicity -0.6333933E+01 Ellipticity 0.7815518E-03 Gb(Abramov) 0.1569147E+00 Vb(Abramov) -0.7172207E+00 Hb(Abramov) -0.5603060E+00 Ex_ueg -0.1604461E+00 Ec_ueg -0.2001315E-01 Delta_ex 0.1602831E+00 Delta_ec 0.5637798E-01 Delta_et -0.1334906E+01 Pxc 0.8017036E+01 Qxc 0.2843009E+01 3,-1 187 3 -1 -0.504343 -0.381238 -0.379417 Rho 0.1457960E+00 |GRAD(Rho)| 0.1828194E-15 GRAD(Rho)x -0.1432744E-15 GRAD(Rho)y -0.3787150E-16 GRAD(Rho)z -0.1070567E-15 Laplacian 0.8015342E+00 (-1/4)Del**2(Rho)) -0.2003836E+00 Diamond 0.1895348E+01 Metallicity 0.3472168E+01 Ellipticity 0.2822397E-01 Gb(Abramov) 0.2495499E+00 Vb(Abramov) -0.2987163E+00 Hb(Abramov) -0.4916636E-01 Ex_ueg -0.5667342E-01 Ec_ueg -0.8174946E-02 Delta_ex -0.8884728E-01 Delta_ec 0.2649411E-01 Delta_et -0.3645802E+00 Pxc 0.6932574E+01 Qxc -0.3353472E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 117 162 161 131 89 164 184 187 82 173 101 109 111 78 169 112 110 150 148 171 108 115 122 123 118 102 119 100 152 139 154 138 153 155 64 167 66 168 67 157 126 143 165 142 107 185 156 61 128 104 172 57 60 105 179 62 159 59 97 183 177 125 94 178 176 170 90 166 180 181 175 135 182 120 132 85 114 163 130 186 144 160 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 18 21 21 22 25 28 28 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 20 36 54 24 27 53 54 52 52 53 2.356765 1.965609 1.907845 1.951824 1.919634 1.737602 1.655207 1.631125 1.655615 1.661892 2.330865 1.953519 1.916127 1.960918 1.926798 1.737511 2.341128 1.897850 1.932393 1.953221 1.961975 1.739040 2.387984 1.942679 1.803969 2.088250 1.977549 1.744450 2.418173 1.907680 1.930065 1.924373 1.964414 1.735879 2.364452 1.914131 1.957473 1.931385 1.942706 1.737985 2.278829 1.935149 1.964106 1.911400 1.970602 1.740402 2.272475 1.963177 1.905778 1.985794 1.929784 1.740117 2.380674 1.931234 1.905415 1.964322 1.941140 1.736862 2.416830 1.952669 1.986632 1.864215 1.934842 1.737506 2.435554 1.929901 1.909713 1.967495 1.936507 1.737439 3.286214 3.150229 3.246673 3.189465 1.009590 3.228763 3.221667 1.742431 1.657503 0.996835 1.861036 1.003922 2.357423 1.965954 1.908242 1.952433 1.920215 1.737609 1.655216 1.631188 1.655624 1.661906 2.331515 1.953842 1.916562 1.961490 1.927314 1.737521 2.341739 1.898255 1.932773 1.953742 1.962537 1.739051 2.388629 1.943035 1.804080 2.088769 1.978128 1.744465 2.418786 1.908042 1.930492 1.924900 1.965006 1.735888 2.365110 1.914531 1.957803 1.931900 1.943249 1.737993 2.279598 1.935608 1.964485 1.911908 1.971655 1.740417 2.273077 1.963510 1.906165 1.986341 1.930891 1.740128 2.381318 1.931671 1.905804 1.964919 1.941684 1.736870 2.417511 1.953082 1.987011 1.864652 1.935405 1.737512 2.436072 1.930353 1.910880 1.968044 1.937057 1.737444 3.326482 3.151318 3.252840 3.192535 1.009683 3.239222 3.228864 1.743052 1.661313 0.996951 1.869549 1.004050 27 23 23 28 26 22 21 20 21 26 27 23 27 23 23 24 31 26 26 23 23 24 30 27 25 25 26 23 27 23 26 23 25 24 27 23 23 23 23 22 27 25 25 23 23 21 27 25 26 24 23 22 27 24 23 24 23 23 27 26 23 23 25 20 29 23 27 23 23 22 35 33 35 35 20 35 35 25 25 17 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 54 W Si W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.4868 2.4691 2.4958 2.5058 2.4313 2.4934 2.4868 2.4948 2.5214 2.4882 2.4826 2.4717 -1.1678 -1.1178 -1.1669 -1.1760 -0.9547 -0.9710 -0.9529 -0.9602 -0.7678 -0.9568 -0.9587 -0.9544 -0.9569 -0.9649 -0.9578 -0.9023 -0.9535 -0.9701 -0.9656 -0.9623 -0.9641 -0.9643 -0.9658 -0.7778 -0.8375 -0.9643 -0.9711 -0.9613 -0.7800 -0.7826 -0.7763 -0.7840 -0.8019 -0.7783 -0.7807 -0.7814 -0.7794 -0.7792 -0.7836 0.2963 0.3320 0.2957 2.0958 2.3022 2.0964 2.0895 2.1182 2.0931 2.0966 2.1111 2.1042 2.0946 2.0968 2.1031 1.8949 1.8938 1.8947 1.8940 1.9339 1.9323 1.9337 1.9332 1.8795 1.9339 1.9346 1.9337 1.9332 1.9329 1.9337 1.9563 1.9464 1.9443 1.9441 1.9446 1.9439 1.9448 1.9446 1.8804 1.8816 1.9445 1.9441 1.9448 1.9671 1.9658 1.9676 1.9660 1.9639 1.9679 1.9668 1.9658 1.9656 1.9675 1.9666 0.5615 0.5172 0.5363 6.0928 6.6347 6.0907 6.0854 6.1053 6.0910 6.0911 6.0960 6.0855 6.0907 6.0910 6.1039 5.2443 5.1955 5.2439 5.2524 4.9901 5.0080 4.9891 4.9963 4.8560 4.9932 4.9935 4.9902 4.9936 5.0014 4.9935 4.9125 4.9752 4.9918 4.9888 4.9848 4.9870 4.9874 4.9883 4.8655 4.9241 4.9876 4.9941 4.9833 4.7771 4.7812 4.7728 4.7824 4.8035 4.7743 4.7781 4.7804 4.7785 4.7757 4.7812 0.1423 0.1508 0.1680 3.2947 0.5940 3.2872 3.2894 3.3161 3.2926 3.2958 3.2682 3.2589 3.2968 3.3000 3.2920 0.0287 0.0284 0.0283 0.0296 0.0307 0.0307 0.0301 0.0307 0.0322 0.0297 0.0306 0.0304 0.0301 0.0306 0.0306 0.0335 0.0319 0.0340 0.0327 0.0329 0.0332 0.0322 0.0329 0.0318 0.0319 0.0322 0.0329 0.0332 0.0358 0.0357 0.0359 0.0356 0.0346 0.0361 0.0357 0.0352 0.0352 0.0359 0.0358 0.0000 0.0000 0.0000 14.0299 0.0000 14.0298 14.0300 14.0291 14.0298 14.0297 14.0298 14.0300 14.0298 14.0296 14.0294 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Si W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.520960 1.769753 2.524841 2.521725 2.493447 2.520178 2.519364 2.537405 2.545920 2.518281 2.515473 2.518170 -1.069952 -1.025956 -1.070277 -1.074664 -0.950443 -0.957564 -0.952937 -0.951899 -0.617560 -0.955146 -0.943897 -0.951466 -0.952580 -0.950958 -0.954331 -0.753637 -0.939965 -0.933150 -0.942702 -0.939221 -0.941059 -0.934853 -0.940771 -0.599426 -0.578124 -0.942044 -0.943575 -0.936734 -0.810861 -0.819051 -0.806766 -0.816994 -0.840666 -0.808330 -0.812809 -0.813744 -0.811038 -0.810039 -0.815372 0.058698 0.058569 0.047781 1.937253 1.349178 1.941917 1.936652 1.912480 1.938647 1.936340 1.944022 1.951556 1.936383 1.939866 1.943091 -0.759563 -0.731849 -0.762129 -0.762239 -0.706593 -0.721358 -0.712834 -0.713540 -0.735805 -0.720300 -0.693293 -0.718054 -0.713401 -0.704894 -0.711531 -0.627896 -0.784338 -0.771592 -0.767433 -0.773369 -0.769484 -0.752908 -0.771903 -0.753645 -0.765810 -0.775895 -0.772968 -0.769892 -0.709584 -0.706679 -0.704749 -0.717090 -0.740505 -0.706066 -0.711682 -0.703070 -0.701287 -0.708260 -0.712661 0.333783 0.272338 0.272642 2.035892 1.303390 2.039012 2.037222 2.000506 2.038328 2.034439 2.064276 2.080222 2.036994 2.038829 2.041092 -0.805075 -0.811583 -0.808983 -0.812824 -0.784663 -0.800733 -0.788860 -0.790187 -0.774788 -0.796363 -0.774028 -0.787481 -0.791825 -0.805655 -0.786109 -0.709551 -0.813777 -0.816471 -0.810541 -0.806558 -0.801499 -0.796264 -0.805758 -0.806011 -0.822423 -0.810006 -0.813952 -0.804167 -0.675886 -0.686430 -0.672710 -0.683989 -0.711093 -0.673018 -0.679480 -0.687633 -0.699183 -0.674346 -0.681496 0.453255 0.328165 0.329779 0.06917513 -1.80567623 -2.57913176 3.14915425 -15.45347289 2.37318548 -1.74670327 9.79646522 13.86225823 5.65700766 -397.3948 409.6299 -43.6652 -404.3602 -29.4684 -465.2587 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 Mar10-2024 01:32:41 Nodes: 1 Procs: 1 0 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Mar10-2024 01:32:42 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Mar10-2024 01:32:43 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 01:32:44 Nodes: 1 Procs: 1 Mar10-2024 01:32:45 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar10-2024 01:32:46 Nodes: 1 Procs: 24 *** (NO TITLE) *** -5 -17.04975467 -17.07781382 -17.08614248 -17.08985192 -17.09281611 -17.09497457 -17.09595966 -17.09631739 -17.09690989 -17.09722955 -17.09747675 -17.09758750 -17.09765926 -17.09783946 -17.09786732 -17.09792007 -17.09793042 -17.09793942 -17.09794442 GEOMETRY CONVERGED