ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.05 2.00 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 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 1.92 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.60 0.06 2.02 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.46 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:50 Hydrogen (TZP) c5-55 c5-55 c5-55 c5-55 c5-55 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.16 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:15 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2185.561199999999 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32.687518 182.916390 144.185946 80.223711 104.075508 161.455280 103.453621 103.714869 17.555172 232.646995 40.807428 322.558505 21.821947 15.694181 161.268919 211.545579 316.171064 226.772698 313.275601 452.342187 1278.828542 1378.100659 514.519036 170.243145 4833.184418 4631.844370 231.714823 1418.378561 2120.593394 1557.527214 415.993678 847.541981 309.965737 125.758010 71.266364 76.408628 868.607529 642.876693 748.635250 451.246166 39.706581 27.691616 280.354748 155.070731 4.665414 2.117043 8.803411 268.673236 233.366060 1139.836833 1.000000 298.150000 59182.7795 59489.2876 83785.3751 1 NOSYM 298.15 48.917 40.908 202.032 291.857 0.889 0.889 108.253 110.030 2.981 2.981 185.757 191.718 2185.561199999999 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224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 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 -5.411 -5.389 -5.346 -5.288 -5.287 -5.217 -5.020 -5.011 -4.924 -4.901 -1.975 -1.709 -1.703 -1.494 -1.430 -1.347 -1.240 -1.165 -1.148 -1.069 A A A A A A A A A A A A A A A A A A A A 0.00000000056950 0.00037842008953 0.00027167544031 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 74 74 74 74 74 74 74 74 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 42 33 1 1.817830 -2.627247 1.713955 -1.815037 2.493122 -1.875601 1.811606 2.492445 1.893196 1.794590 -2.657585 -1.715394 1.703852 2.536940 -1.867664 -1.683992 2.625161 1.885206 -0.153470 -0.001432 3.532938 -0.120775 0.002013 -3.560224 2.756427 -3.639849 -2.830617 2.800252 3.783805 -2.454985 -2.690956 3.907357 2.539633 1.219922 -1.171962 -0.008732 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-1.815037 2.493122 -1.875601 Rho 0.4361415E+07 3,-3 3 3 -3 1.811606 2.492445 1.893196 Rho 0.4361415E+07 3,-3 4 3 -3 1.794590 -2.657585 -1.715394 Rho 0.4361415E+07 3,-3 5 3 -3 1.703852 2.536940 -1.867664 Rho 0.4361415E+07 3,-3 6 3 -3 -1.683992 2.625161 1.885206 Rho 0.4361415E+07 3,-3 7 3 -3 -0.153470 -0.001432 3.532938 Rho 0.4361415E+07 3,-3 8 3 -3 -0.120775 0.002013 -3.560224 Rho 0.4361415E+07 3,-3 9 3 -3 2.756427 -3.639849 -2.830617 Rho 0.3191843E+03 3,-3 10 3 -3 2.800252 3.783805 -2.454985 Rho 0.3191997E+03 3,-3 11 3 -3 -2.690956 3.907357 2.539633 Rho 0.3192243E+03 3,-3 12 3 -3 1.219922 -1.171962 -0.008732 Rho 0.3190105E+03 3,-3 13 3 -3 -1.649666 -1.209797 0.008908 Rho 0.3192554E+03 3,-3 14 3 -3 -0.149984 0.827155 -1.373049 Rho 0.3190148E+03 3,-3 15 3 -3 -0.111929 0.832413 1.366398 Rho 0.3190172E+03 3,-3 16 3 -3 -1.465358 -1.140139 3.236970 Rho 0.3192528E+03 3,-3 17 3 -3 1.248672 -1.195353 -2.867319 Rho 0.3188025E+03 3,-3 18 3 -3 -3.063465 1.332193 1.351487 Rho 0.3187041E+03 3,-3 19 3 -3 2.961201 1.205335 -1.242102 Rho 0.3189055E+03 3,-3 20 3 -3 -1.447368 -1.130050 -3.295351 Rho 0.3192427E+03 3,-3 21 3 -3 3.062225 1.230287 1.350974 Rho 0.3189442E+03 3,-3 22 3 -3 -3.079259 1.324016 -1.368214 Rho 0.3191695E+03 3,-3 23 3 -3 1.246952 -1.173220 2.874783 Rho 0.3188023E+03 3,-3 24 3 -3 -1.622551 3.052209 0.006693 Rho 0.3188434E+03 3,-3 25 3 -3 0.272654 -3.475449 1.735615 Rho 0.3192417E+03 3,-3 26 3 -3 1.584423 2.986616 0.044699 Rho 0.3188640E+03 3,-3 27 3 -3 0.242910 -3.490424 -1.721228 Rho 0.3192429E+03 3,-3 28 3 -3 3.577214 -1.403225 -1.379043 Rho 0.3191088E+03 3,-3 29 3 -3 0.151814 -0.121639 -5.304777 Rho 0.3191836E+03 3,-3 30 3 -3 1.395792 1.511719 -3.397490 Rho 0.3189801E+03 3,-3 31 3 -3 -1.392999 1.576260 3.475358 Rho 0.3189109E+03 3,-3 32 3 -3 3.553597 -1.362475 1.334967 Rho 0.3190908E+03 3,-3 33 3 -3 -1.319463 1.585921 -3.521784 Rho 0.3188923E+03 3,-3 34 3 -3 1.328177 1.539138 3.432036 Rho 0.3189743E+03 3,-3 35 3 -3 0.073104 -0.124421 5.284718 Rho 0.3191842E+03 3,-3 36 3 -3 0.029596 3.426090 2.111520 Rho 0.3189351E+03 3,-3 37 3 -3 2.400092 -3.399182 -0.001459 Rho 0.3188951E+03 3,-3 38 3 -3 0.027500 3.403889 -2.065546 Rho 0.3189416E+03 3,-3 39 3 -3 2.799161 -3.591160 2.827904 Rho 0.3191858E+03 3,-3 40 3 -3 5.437678 0.263509 -0.051468 Rho 0.3193138E+03 3,-3 41 3 -3 -2.746092 3.835676 -2.543537 Rho 0.3191977E+03 3,-3 42 3 -3 2.838858 3.776156 2.523129 Rho 0.3192041E+03 3,-3 43 3 -3 3.730663 -0.148287 -0.047506 Rho 0.1240651E+06 3,-3 44 3 -3 -0.300827 -0.270596 0.000145 Rho 0.4276110E+05 3,-3 45 3 -3 -3.078270 1.176566 0.359958 Rho 0.4366557E+00 3,-3 46 3 -1 -3.071334 1.246469 -0.218405 Rho 0.4183812E-01 |GRAD(Rho)| 0.4306408E-16 GRAD(Rho)x 0.4976831E-17 GRAD(Rho)y -0.1294076E-16 GRAD(Rho)z -0.4077110E-16 Laplacian 0.1187608E+00 (-1/4)Del**2(Rho)) -0.2969020E-01 Diamond 0.7115826E-01 Metallicity 0.2925681E+01 Ellipticity 0.8534293E-02 Gb(Abramov) 0.3427081E-01 Vb(Abramov) -0.3885142E-01 Hb(Abramov) -0.4580607E-02 Ex_ueg -0.1072707E-01 Ec_ueg -0.1968949E-02 Delta_ex -0.1065615E-01 Delta_ec 0.5876443E-02 Delta_et -0.5945135E-01 Pxc 0.5448122E+01 Qxc -0.1813367E+01 3,-1 47 3 +1 -2.526673 1.901948 -0.040662 Rho 0.1462033E-01 |GRAD(Rho)| 0.3841484E-16 GRAD(Rho)x -0.2278304E-16 GRAD(Rho)y -0.2865213E-16 GRAD(Rho)z -0.1164853E-16 Laplacian 0.6805019E-01 (-1/4)Del**2(Rho)) -0.1701255E-01 Diamond 0.3599616E-02 Metallicity 0.8852091E+00 Ellipticity -0.1417744E+01 Gb(Abramov) 0.1385164E-01 Vb(Abramov) -0.1069074E-01 Hb(Abramov) 0.3160905E-02 Ex_ueg -0.2640349E-02 Ec_ueg -0.5818447E-03 Delta_ex -0.3530372E-02 Delta_ec 0.8924499E-03 Delta_et -0.7013451E-02 Pxc 0.4537893E+01 Qxc -0.3955821E+01 3,+1 48 3 -1 -0.888689 1.692059 1.597408 Rho 0.4330148E-01 |GRAD(Rho)| 0.1002887E-15 GRAD(Rho)x 0.9261776E-16 GRAD(Rho)y -0.3095694E-16 GRAD(Rho)z -0.2283506E-16 Laplacian 0.1635603E+00 (-1/4)Del**2(Rho)) -0.4089008E-01 Diamond 0.6647334E-01 Metallicity 0.2249606E+01 Ellipticity 0.2226467E-01 Gb(Abramov) 0.4259115E-01 Vb(Abramov) -0.4429222E-01 Hb(Abramov) -0.1701066E-02 Ex_ueg -0.1123023E-01 Ec_ueg -0.2048095E-02 Delta_ex -0.1289721E-01 Delta_ec 0.4718812E-02 Delta_et -0.4787777E-01 Pxc 0.5483257E+01 Qxc -0.2733147E+01 3,-1 49 3 -1 -2.490948 1.862415 -1.597090 Rho 0.2099261E+00 |GRAD(Rho)| 0.3324545E-15 GRAD(Rho)x 0.2513181E-15 GRAD(Rho)y 0.1568841E-15 GRAD(Rho)z -0.1508396E-15 Laplacian 0.8156401E+00 (-1/4)Del**2(Rho)) -0.2039100E+00 Diamond 0.2434751E+01 Metallicity 0.6264581E+01 Ellipticity 0.1962394E-01 Gb(Abramov) 0.3488418E+00 Vb(Abramov) -0.4937736E+00 Hb(Abramov) -0.1449318E+00 Ex_ueg -0.9214540E-01 Ec_ueg -0.1238502E-01 Delta_ex -0.9505279E-01 Delta_ec 0.1848926E-01 Delta_et -0.2534773E+00 Pxc 0.7440069E+01 Qxc -0.5140973E+01 3,-1 50 3 +1 -1.879954 0.426516 0.698876 Rho 0.6969832E-02 |GRAD(Rho)| 0.9907748E-15 GRAD(Rho)x -0.3026324E-15 GRAD(Rho)y -0.6849886E-15 GRAD(Rho)z -0.6487211E-15 Laplacian 0.2535056E-01 (-1/4)Del**2(Rho)) -0.6337641E-02 Diamond 0.6787430E-03 Metallicity 0.6912940E+00 Ellipticity -0.2087392E+01 Gb(Abramov) 0.4955289E-02 Vb(Abramov) -0.3572938E-02 Hb(Abramov) 0.1382351E-02 Ex_ueg -0.9832897E-03 Ec_ueg -0.2326434E-03 Delta_ex -0.1199501E-02 Delta_ec 0.5367412E-03 Delta_et -0.3319886E-02 Pxc 0.4226597E+01 Qxc -0.2234784E+01 3,+1 51 3 +1 -0.840654 1.599268 0.005336 Rho 0.7596577E-02 |GRAD(Rho)| 0.2296013E-11 GRAD(Rho)x 0.1095207E-11 GRAD(Rho)y -0.2017902E-11 GRAD(Rho)z -0.1632305E-13 Laplacian 0.2991016E-01 (-1/4)Del**2(Rho)) -0.7477541E-02 Diamond 0.6519805E-03 Metallicity 0.6763283E+00 Ellipticity -0.1350171E+01 Gb(Abramov) 0.5827906E-02 Vb(Abramov) -0.4178271E-02 Hb(Abramov) 0.1649635E-02 Ex_ueg -0.1102916E-02 Ec_ueg -0.2603103E-03 Delta_ex -0.1311624E-02 Delta_ec 0.3980692E-03 Delta_et -0.2654208E-02 Pxc 0.4236926E+01 Qxc -0.3294964E+01 3,+1 52 3 -1 -2.240465 0.206089 0.561942 Rho 0.7323363E-02 |GRAD(Rho)| 0.3803607E-14 GRAD(Rho)x -0.1389448E-14 GRAD(Rho)y 0.1571474E-14 GRAD(Rho)z -0.3172905E-14 Laplacian 0.2676824E-01 (-1/4)Del**2(Rho)) -0.6692059E-02 Diamond 0.1100065E-02 Metallicity 0.7109587E+00 Ellipticity 0.2797389E+00 Gb(Abramov) 0.5254336E-02 Vb(Abramov) -0.3816612E-02 Hb(Abramov) 0.1437723E-02 Ex_ueg -0.1050346E-02 Ec_ueg -0.2482271E-03 Delta_ex -0.1467262E-02 Delta_ec 0.8994023E-03 Delta_et -0.5453761E-02 Pxc 0.4231392E+01 Qxc -0.1631375E+01 3,-1 53 3 -1 -2.403209 1.938959 1.580312 Rho 0.1383601E+00 |GRAD(Rho)| 0.5487467E-15 GRAD(Rho)x 0.2957161E-15 GRAD(Rho)y 0.3939449E-15 GRAD(Rho)z 0.2418313E-15 Laplacian 0.5242043E+00 (-1/4)Del**2(Rho)) -0.1310511E+00 Diamond 0.9771607E+00 Metallicity 0.4865535E+01 Ellipticity 0.1098341E+00 Gb(Abramov) 0.1936397E+00 Vb(Abramov) -0.2562282E+00 Hb(Abramov) -0.6258858E-01 Ex_ueg -0.5285258E-01 Ec_ueg -0.7702608E-02 Delta_ex -0.5533897E-01 Delta_ec 0.1382602E-01 Delta_et -0.1824260E+00 Pxc 0.6861647E+01 Qxc -0.4002525E+01 3,-1 54 3 -1 -2.179444 0.233636 -0.633943 Rho 0.6817211E-02 |GRAD(Rho)| 0.7472552E-17 GRAD(Rho)x 0.4322699E-17 GRAD(Rho)y -0.4115312E-17 GRAD(Rho)z 0.4496388E-17 Laplacian 0.2413316E-01 (-1/4)Del**2(Rho)) -0.6033291E-02 Diamond 0.8543920E-03 Metallicity 0.6998583E+00 Ellipticity 0.1367128E+01 Gb(Abramov) 0.4725936E-02 Vb(Abramov) -0.3418580E-02 Hb(Abramov) 0.1307356E-02 Ex_ueg -0.9546863E-03 Ec_ueg -0.2259339E-03 Delta_ex -0.1275778E-02 Delta_ec 0.7602196E-03 Delta_et -0.4530009E-02 Pxc 0.4225511E+01 Qxc -0.1678170E+01 3,-1 55 3 -1 -0.801272 0.835860 3.484431 Rho 0.1221083E+00 |GRAD(Rho)| 0.4035729E-15 GRAD(Rho)x -0.2539540E-15 GRAD(Rho)y 0.3060838E-15 GRAD(Rho)z -0.6849193E-16 Laplacian 0.4681284E+00 (-1/4)Del**2(Rho)) -0.1170321E+00 Diamond 0.7506686E+00 Metallicity 0.4424083E+01 Ellipticity 0.2980395E-01 Gb(Abramov) 0.1643147E+00 Vb(Abramov) -0.2115973E+00 Hb(Abramov) -0.4728259E-01 Ex_ueg -0.4474163E-01 Ec_ueg -0.6682757E-02 Delta_ex -0.4795473E-01 Delta_ec 0.1271079E-01 Delta_et -0.1642530E+00 Pxc 0.6695085E+01 Qxc -0.3772757E+01 3,-1 56 3 +3 -0.027575 2.161812 -0.014095 Rho 0.4194614E-02 |GRAD(Rho)| 0.5105140E-15 GRAD(Rho)x 0.8858942E-16 GRAD(Rho)y -0.4170283E-15 GRAD(Rho)z 0.2808272E-15 Laplacian 0.1706295E-01 (-1/4)Del**2(Rho)) -0.4265737E-02 Diamond 0.1123369E-03 Metallicity 0.4406012E+00 Ellipticity -0.2602808E+00 Gb(Abramov) 0.3157073E-02 Vb(Abramov) -0.2048409E-02 Hb(Abramov) 0.1108664E-02 Ex_ueg -0.4996214E-03 Ec_ueg -0.1124201E-03 Delta_ex -0.5834754E-03 Delta_ec 0.1141834E-03 Delta_et -0.7619297E-03 Pxc 0.4444235E+01 Qxc -0.5109986E+01 3,+3 57 3 +1 -1.987506 0.347842 -0.685985 Rho 0.6768588E-02 |GRAD(Rho)| 0.6462964E-14 GRAD(Rho)x 0.6453977E-14 GRAD(Rho)y -0.1846107E-15 GRAD(Rho)z -0.2863632E-15 Laplacian 0.2407839E-01 (-1/4)Del**2(Rho)) -0.6019598E-02 Diamond 0.6849596E-03 Metallicity 0.6931319E+00 Ellipticity -0.3098553E+01 Gb(Abramov) 0.4708461E-02 Vb(Abramov) -0.3397324E-02 Hb(Abramov) 0.1311137E-02 Ex_ueg -0.9456183E-03 Ec_ueg -0.2237987E-03 Delta_ex -0.1172260E-02 Delta_ec 0.5821223E-03 Delta_et -0.3529372E-02 Pxc 0.4225307E+01 Qxc -0.2013769E+01 3,+1 58 3 +1 1.511102 0.390333 -0.803363 Rho 0.5510872E-02 |GRAD(Rho)| 0.5587200E-14 GRAD(Rho)x -0.5094628E-14 GRAD(Rho)y 0.1566798E-14 GRAD(Rho)z -0.1675325E-14 Laplacian 0.2107937E-01 (-1/4)Del**2(Rho)) -0.5269843E-02 Diamond 0.3346864E-03 Metallicity 0.5620686E+00 Ellipticity -0.1384028E+01 Gb(Abramov) 0.4006898E-02 Vb(Abramov) -0.2743952E-02 Hb(Abramov) 0.1262946E-02 Ex_ueg -0.7189171E-03 Ec_ueg -0.1689635E-03 Delta_ex -0.8840584E-03 Delta_ec 0.3352738E-03 Delta_et -0.2005970E-02 Pxc 0.4254866E+01 Qxc -0.2636825E+01 3,+1 59 3 -1 1.473674 -1.881635 -0.844752 Rho 0.5536094E-01 |GRAD(Rho)| 0.3526261E-15 GRAD(Rho)x 0.1130637E-15 GRAD(Rho)y -0.2757592E-15 GRAD(Rho)z -0.1884640E-15 Laplacian 0.2121809E+00 (-1/4)Del**2(Rho)) -0.5304521E-01 Diamond 0.1225563E+00 Metallicity 0.2611636E+01 Ellipticity 0.1908700E-01 Gb(Abramov) 0.5845261E-01 Vb(Abramov) -0.6386001E-01 Hb(Abramov) -0.5407395E-02 Ex_ueg -0.1558319E-01 Ec_ueg -0.2713281E-02 Delta_ex -0.1788374E-01 Delta_ec 0.6251601E-02 Delta_et -0.6765889E-01 Pxc 0.5743300E+01 Qxc -0.2860666E+01 3,-1 60 3 +3 -1.715691 1.056516 0.003158 Rho 0.4715505E-02 |GRAD(Rho)| 0.2644320E-16 GRAD(Rho)x 0.2586232E-16 GRAD(Rho)y 0.3873482E-17 GRAD(Rho)z -0.3921679E-17 Laplacian 0.1792353E-01 (-1/4)Del**2(Rho)) -0.4480882E-02 Diamond 0.1383775E-03 Metallicity 0.5098042E+00 Ellipticity -0.4631455E+00 Gb(Abramov) 0.3367984E-02 Vb(Abramov) -0.2255085E-02 Hb(Abramov) 0.1112899E-02 Ex_ueg -0.5840133E-03 Ec_ueg -0.1346905E-03 Delta_ex -0.6322246E-03 Delta_ec 0.1199290E-03 Delta_et -0.8207331E-03 Pxc 0.4335966E+01 Qxc -0.5271656E+01 3,+3 61 3 -1 3.632055 -0.814942 -0.751496 Rho 0.1765086E+00 |GRAD(Rho)| 0.2283192E-15 GRAD(Rho)x -0.8129822E-16 GRAD(Rho)y 0.8302278E-16 GRAD(Rho)z 0.1965387E-15 Laplacian 0.6761627E+00 (-1/4)Del**2(Rho)) -0.1690407E+00 Diamond 0.1654112E+01 Metallicity 0.5660286E+01 Ellipticity 0.5006826E-01 Gb(Abramov) 0.2721636E+00 Vb(Abramov) -0.3752864E+00 Hb(Abramov) -0.1031229E+00 Ex_ueg -0.7312618E-01 Ec_ueg -0.1016153E-01 Delta_ex -0.7551411E-01 Delta_ec 0.1628888E-01 Delta_et -0.2207781E+00 Pxc 0.7196377E+01 Qxc -0.4635931E+01 3,-1 62 3 +1 -0.020631 2.026217 2.860643 Rho 0.1209260E-01 |GRAD(Rho)| 0.4505410E-17 GRAD(Rho)x 0.2026713E-17 GRAD(Rho)y -0.2986399E-17 GRAD(Rho)z -0.2696771E-17 Laplacian 0.5638729E-01 (-1/4)Del**2(Rho)) -0.1409682E-01 Diamond 0.1890176E-02 Metallicity 0.7785711E+00 Ellipticity -0.1162032E+01 Gb(Abramov) 0.1122711E-01 Vb(Abramov) -0.8357401E-02 Hb(Abramov) 0.2869711E-02 Ex_ueg -0.2049957E-02 Ec_ueg -0.4638456E-03 Delta_ex -0.2664839E-02 Delta_ec 0.5310963E-03 Delta_et -0.4143512E-02 Pxc 0.4419482E+01 Qxc -0.5017619E+01 3,+1 63 3 +1 0.651911 1.216204 -2.304569 Rho 0.2467810E-01 |GRAD(Rho)| 0.2830438E-14 GRAD(Rho)x -0.7406509E-15 GRAD(Rho)y -0.1116939E-14 GRAD(Rho)z -0.2493043E-14 Laplacian 0.9674876E-01 (-1/4)Del**2(Rho)) -0.2418719E-01 Diamond 0.1361185E-01 Metallicity 0.1489890E+01 Ellipticity -0.7805968E+01 Gb(Abramov) 0.2213083E-01 Vb(Abramov) -0.2007448E-01 Hb(Abramov) 0.2056356E-02 Ex_ueg -0.5306410E-02 Ec_ueg -0.1072521E-02 Delta_ex -0.6127066E-02 Delta_ec 0.1874928E-02 Delta_et -0.1644171E-01 Pxc 0.4947605E+01 Qxc -0.3267894E+01 3,+1 64 3 +3 1.493779 0.902320 0.056199 Rho 0.3292579E-02 |GRAD(Rho)| 0.7322464E-13 GRAD(Rho)x -0.2227634E-14 GRAD(Rho)y -0.7319035E-13 GRAD(Rho)z 0.2426261E-15 Laplacian 0.1264030E-01 (-1/4)Del**2(Rho)) -0.3160076E-02 Diamond 0.6120809E-04 Metallicity 0.3972672E+00 Ellipticity -0.3097972E+00 Gb(Abramov) 0.2315949E-02 Vb(Abramov) -0.1471823E-02 Hb(Abramov) 0.8441261E-03 Ex_ueg -0.3617706E-03 Ec_ueg -0.7419213E-04 Delta_ex -0.4078374E-03 Delta_ec 0.8834868E-04 Delta_et -0.5514466E-03 Pxc 0.4876133E+01 Qxc -0.4616226E+01 3,+3 65 3 -1 -1.708502 2.776441 -0.875027 Rho 0.1293704E+00 |GRAD(Rho)| 0.6418034E-12 GRAD(Rho)x 0.6579070E-13 GRAD(Rho)y 0.1729510E-12 GRAD(Rho)z 0.6145495E-12 Laplacian 0.5316615E+00 (-1/4)Del**2(Rho)) -0.1329154E+00 Diamond 0.9094354E+00 Metallicity 0.4289132E+01 Ellipticity 0.1121786E-01 Gb(Abramov) 0.1836255E+00 Vb(Abramov) -0.2343357E+00 Hb(Abramov) -0.5071014E-01 Ex_ueg -0.4832423E-01 Ec_ueg -0.7136312E-02 Delta_ex -0.5516668E-01 Delta_ec 0.1414584E-01 Delta_et -0.1844389E+00 Pxc 0.6771597E+01 Qxc -0.3899852E+01 3,-1 66 3 -1 -1.653437 2.833164 0.881040 Rho 0.1448934E+00 |GRAD(Rho)| 0.1361736E-11 GRAD(Rho)x 0.4131086E-13 GRAD(Rho)y 0.2740103E-12 GRAD(Rho)z -0.1333243E-11 Laplacian 0.6026410E+00 (-1/4)Del**2(Rho)) -0.1506603E+00 Diamond 0.1168746E+01 Metallicity 0.4570552E+01 Ellipticity 0.1722169E-01 Gb(Abramov) 0.2152069E+00 Vb(Abramov) -0.2797536E+00 Hb(Abramov) -0.6454667E-01 Ex_ueg -0.5620605E-01 Ec_ueg -0.8117421E-02 Delta_ex -0.6414195E-01 Delta_ec 0.1537083E-01 Delta_et -0.2034999E+00 Pxc 0.6924126E+01 Qxc -0.4172965E+01 3,-1 67 3 -1 -0.958805 -0.728235 0.004548 Rho 0.2085891E+00 |GRAD(Rho)| 0.3727963E-15 GRAD(Rho)x -0.3608225E-15 GRAD(Rho)y -0.9367507E-16 GRAD(Rho)z 0.3035766E-17 Laplacian 0.6089231E+00 (-1/4)Del**2(Rho)) -0.1522308E+00 Diamond 0.1761117E+01 Metallicity 0.8302394E+01 Ellipticity 0.3013259E-02 Gb(Abramov) 0.3121338E+00 Vb(Abramov) -0.4720368E+00 Hb(Abramov) -0.1599030E+00 Ex_ueg -0.9136372E-01 Ec_ueg -0.1229486E-01 Delta_ex -0.7057203E-01 Delta_ec 0.1333936E-01 Delta_et -0.1809777E+00 Pxc 0.7431053E+01 Qxc -0.5290512E+01 3,-1 68 3 -1 -1.539262 2.000741 -2.739221 Rho 0.1427722E+00 |GRAD(Rho)| 0.3686712E-09 GRAD(Rho)x 0.9853156E-10 GRAD(Rho)y -0.1760873E-09 GRAD(Rho)z -0.3085502E-09 Laplacian 0.5550019E+00 (-1/4)Del**2(Rho)) -0.1387505E+00 Diamond 0.1067454E+01 Metallicity 0.4842374E+01 Ellipticity 0.5150234E-01 Gb(Abramov) 0.2044806E+00 Vb(Abramov) -0.2702107E+00 Hb(Abramov) -0.6573013E-01 Ex_ueg -0.5511165E-01 Ec_ueg -0.7982451E-02 Delta_ex -0.5896514E-01 Delta_ec 0.1439707E-01 Delta_et -0.1906082E+00 Pxc 0.6904102E+01 Qxc -0.4095636E+01 3,-1 69 3 +1 -0.792859 1.231861 -2.374912 Rho 0.2920145E-01 |GRAD(Rho)| 0.3782719E-16 GRAD(Rho)x 0.1359494E-16 GRAD(Rho)y -0.4219341E-18 GRAD(Rho)z 0.3529725E-16 Laplacian 0.1164893E+00 (-1/4)Del**2(Rho)) -0.2912233E-01 Diamond 0.1951249E-01 Metallicity 0.1638077E+01 Ellipticity -0.5984548E+01 Gb(Abramov) 0.2736566E-01 Vb(Abramov) -0.2560899E-01 Hb(Abramov) 0.1756671E-02 Ex_ueg -0.6641369E-02 Ec_ueg -0.1302491E-02 Delta_ex -0.7610152E-02 Delta_ec 0.2077910E-02 Delta_et -0.1903152E-01 Pxc 0.5098975E+01 Qxc -0.3662407E+01 3,+1 70 3 +1 0.651435 -0.656806 -1.507625 Rho 0.9286419E-02 |GRAD(Rho)| 0.1703330E-16 GRAD(Rho)x 0.2515661E-17 GRAD(Rho)y -0.2759514E-17 GRAD(Rho)z -0.1661897E-16 Laplacian 0.3751699E-01 (-1/4)Del**2(Rho)) -0.9379247E-02 Diamond 0.1074031E-02 Metallicity 0.7535852E+00 Ellipticity -0.1395751E+01 Gb(Abramov) 0.7430842E-02 Vb(Abramov) -0.5482436E-02 Hb(Abramov) 0.1948405E-02 Ex_ueg -0.1441615E-02 Ec_ueg -0.3357961E-03 Delta_ex -0.1731087E-02 Delta_ec 0.4982921E-03 Delta_et -0.3497019E-02 Pxc 0.4293128E+01 Qxc -0.3474040E+01 3,+1 71 3 +1 -0.799628 1.265201 2.337793 Rho 0.2848151E-01 |GRAD(Rho)| 0.2618152E-15 GRAD(Rho)x 0.2156757E-15 GRAD(Rho)y -0.2054209E-16 GRAD(Rho)z 0.1470007E-15 Laplacian 0.1127564E+00 (-1/4)Del**2(Rho)) -0.2818910E-01 Diamond 0.1805813E-01 Metallicity 0.1623343E+01 Ellipticity -0.5198798E+01 Gb(Abramov) 0.2641950E-01 Vb(Abramov) -0.2464989E-01 Hb(Abramov) 0.1769604E-02 Ex_ueg -0.6423954E-02 Ec_ueg -0.1265551E-02 Delta_ex -0.7299821E-02 Delta_ec 0.1980191E-02 Delta_et -0.1803074E-01 Pxc 0.5076013E+01 Qxc -0.3686422E+01 3,+1 72 3 -1 -1.519527 2.053726 2.719597 Rho 0.1488372E+00 |GRAD(Rho)| 0.2400468E-14 GRAD(Rho)x -0.5811391E-15 GRAD(Rho)y 0.1375365E-14 GRAD(Rho)z -0.1879600E-14 Laplacian 0.5871735E+00 (-1/4)Del**2(Rho)) -0.1467934E+00 Diamond 0.1181552E+01 Metallicity 0.4905682E+01 Ellipticity 0.5786087E-01 Gb(Abramov) 0.2178825E+00 Vb(Abramov) -0.2889716E+00 Hb(Abramov) -0.7108913E-01 Ex_ueg -0.5825508E-01 Ec_ueg -0.8369122E-02 Delta_ex -0.6296378E-01 Delta_ec 0.1497553E-01 Delta_et -0.1992484E+00 Pxc 0.6960717E+01 Qxc -0.4204445E+01 3,-1 73 3 -1 -0.834744 2.958755 -1.968308 Rho 0.1056687E+00 |GRAD(Rho)| 0.2654056E-13 GRAD(Rho)x -0.2494646E-13 GRAD(Rho)y -0.8927826E-14 GRAD(Rho)z 0.1539344E-14 Laplacian 0.4270381E+00 (-1/4)Del**2(Rho)) -0.1067595E+00 Diamond 0.5642388E+00 Metallicity 0.3811158E+01 Ellipticity 0.1275620E-01 Gb(Abramov) 0.1389859E+00 Vb(Abramov) -0.1712123E+00 Hb(Abramov) -0.3222639E-01 Ex_ueg -0.3689606E-01 Ec_ueg -0.5669701E-02 Delta_ex -0.4210191E-01 Delta_ec 0.1166665E-01 Delta_et -0.1463619E+00 Pxc 0.6507586E+01 Qxc -0.3608739E+01 3,-1 74 3 -1 -0.762830 3.036317 1.998984 Rho 0.1565852E+00 |GRAD(Rho)| 0.1742359E-15 GRAD(Rho)x 0.1084744E-15 GRAD(Rho)y -0.1350645E-15 GRAD(Rho)z -0.1868216E-16 Laplacian 0.6328774E+00 (-1/4)Del**2(Rho)) -0.1582193E+00 Diamond 0.1343337E+01 Metallicity 0.4953111E+01 Ellipticity 0.5420075E-01 Gb(Abramov) 0.2360925E+00 Vb(Abramov) -0.3139658E+00 Hb(Abramov) -0.7787321E-01 Ex_ueg -0.6233318E-01 Ec_ueg -0.8866384E-02 Delta_ex -0.6862188E-01 Delta_ec 0.1576663E-01 Delta_et -0.2108162E+00 Pxc 0.7030282E+01 Qxc -0.4352350E+01 3,-1 75 3 +1 0.610392 1.607455 -0.015311 Rho 0.6329097E-02 |GRAD(Rho)| 0.2617189E-16 GRAD(Rho)x -0.9725172E-17 GRAD(Rho)y 0.2429746E-16 GRAD(Rho)z 0.1493197E-18 Laplacian 0.2478416E-01 (-1/4)Del**2(Rho)) -0.6196039E-02 Diamond 0.4451931E-03 Metallicity 0.6021092E+00 Ellipticity -0.1347277E+01 Gb(Abramov) 0.4752475E-02 Vb(Abramov) -0.3308910E-02 Hb(Abramov) 0.1443564E-02 Ex_ueg -0.8646507E-03 Ec_ueg -0.2045501E-03 Delta_ex -0.1054321E-02 Delta_ec 0.3585391E-03 Delta_et -0.2254518E-02 Pxc 0.4227085E+01 Qxc -0.2940603E+01 3,+1 76 3 -1 -0.968351 1.626378 -1.594176 Rho 0.4657685E-01 |GRAD(Rho)| 0.2887941E-16 GRAD(Rho)x -0.1531351E-16 GRAD(Rho)y 0.1426531E-16 GRAD(Rho)z 0.1990019E-16 Laplacian 0.1769453E+00 (-1/4)Del**2(Rho)) -0.4423632E-01 Diamond 0.8018509E-01 Metallicity 0.2348142E+01 Ellipticity 0.1083306E-01 Gb(Abramov) 0.4680307E-01 Vb(Abramov) -0.4936983E-01 Hb(Abramov) -0.2566753E-02 Ex_ueg -0.1237690E-01 Ec_ueg -0.2226547E-02 Delta_ex -0.1424757E-01 Delta_ec 0.5167689E-02 Delta_et -0.5346273E-01 Pxc 0.5558787E+01 Qxc -0.2757049E+01 3,-1 77 3 +1 -0.018223 2.982642 0.232933 Rho 0.5980644E-02 |GRAD(Rho)| 0.1351781E-16 GRAD(Rho)x -0.1347795E-16 GRAD(Rho)y -0.1092661E-18 GRAD(Rho)z -0.1031611E-17 Laplacian 0.2492615E-01 (-1/4)Del**2(Rho)) -0.6231538E-02 Diamond 0.7407459E-03 Metallicity 0.5447591E+00 Ellipticity -0.3556468E+01 Gb(Abramov) 0.4720140E-02 Vb(Abramov) -0.3208742E-02 Hb(Abramov) 0.1511398E-02 Ex_ueg -0.8017685E-03 Ec_ueg -0.1893550E-03 Delta_ex -0.1284303E-02 Delta_ec 0.7863886E-03 Delta_et -0.4505699E-02 Pxc 0.4234209E+01 Qxc -0.1633166E+01 3,+1 78 3 +1 2.483264 -1.049209 -0.478687 Rho 0.1963969E-01 |GRAD(Rho)| 0.5350834E-15 GRAD(Rho)x 0.7313667E-16 GRAD(Rho)y 0.5117472E-15 GRAD(Rho)z -0.1381306E-15 Laplacian 0.7276400E-01 (-1/4)Del**2(Rho)) -0.1819100E-01 Diamond 0.6827067E-02 Metallicity 0.1353903E+01 Ellipticity -0.3276310E+01 Gb(Abramov) 0.1623214E-01 Vb(Abramov) -0.1427328E-01 Hb(Abramov) 0.1958858E-02 Ex_ueg -0.3913492E-02 Ec_ueg -0.8228154E-03 Delta_ex -0.4244946E-02 Delta_ec 0.1234186E-02 Delta_et -0.1025952E-01 Pxc 0.4756221E+01 Qxc -0.3439471E+01 3,+1 79 3 -1 -0.749693 0.842945 -3.521033 Rho 0.1284937E+00 |GRAD(Rho)| 0.7628846E-14 GRAD(Rho)x 0.7597872E-14 GRAD(Rho)y 0.6861916E-15 GRAD(Rho)z 0.2771746E-16 Laplacian 0.4936041E+00 (-1/4)Del**2(Rho)) -0.1234010E+00 Diamond 0.8404864E+00 Metallicity 0.4567769E+01 Ellipticity 0.3603662E-01 Gb(Abramov) 0.1762119E+00 Vb(Abramov) -0.2290228E+00 Hb(Abramov) -0.5281088E-01 Ex_ueg -0.4788809E-01 Ec_ueg -0.7081369E-02 Delta_ex -0.5117114E-01 Delta_ec 0.1322048E-01 Delta_et -0.1722989E+00 Pxc 0.6762546E+01 Qxc -0.3870596E+01 3,-1 80 3 -1 -0.862373 -0.613614 3.371269 Rho 0.2277765E+00 |GRAD(Rho)| 0.3634798E-13 GRAD(Rho)x -0.1752803E-13 GRAD(Rho)y 0.3151727E-13 GRAD(Rho)z 0.4539365E-14 Laplacian 0.8913869E+00 (-1/4)Del**2(Rho)) -0.2228467E+00 Diamond 0.2923105E+01 Metallicity 0.6567424E+01 Ellipticity 0.1012798E-01 Gb(Abramov) 0.3924860E+00 Vb(Abramov) -0.5621252E+00 Hb(Abramov) -0.1696393E+00 Ex_ueg -0.1027378E+00 Ec_ueg -0.1359823E-01 Delta_ex -0.1060289E+00 Delta_ec 0.1961550E-01 Delta_et -0.2695592E+00 Pxc 0.7555233E+01 Qxc -0.5405361E+01 3,-1 81 3 -1 -0.837254 -0.606938 -3.415182 Rho 0.2268464E+00 |GRAD(Rho)| 0.2082945E-15 GRAD(Rho)x 0.1162807E-15 GRAD(Rho)y 0.1461505E-15 GRAD(Rho)z 0.9222495E-16 Laplacian 0.8840385E+00 (-1/4)Del**2(Rho)) -0.2210096E+00 Diamond 0.2887286E+01 Metallicity 0.6577011E+01 Ellipticity 0.9111120E-02 Gb(Abramov) 0.3896035E+00 Vb(Abramov) -0.5581974E+00 Hb(Abramov) -0.1685939E+00 Ex_ueg -0.1021788E+00 Ec_ueg -0.1353459E-01 Delta_ex -0.1050573E+00 Delta_ec 0.1950283E-01 Delta_et -0.2680747E+00 Pxc 0.7549462E+01 Qxc -0.5386770E+01 3,-1 82 3 -1 -0.136849 0.403675 -2.418522 Rho 0.5518895E-01 |GRAD(Rho)| 0.1312241E-16 GRAD(Rho)x -0.2126212E-17 GRAD(Rho)y -0.4321562E-17 GRAD(Rho)z -0.1220659E-16 Laplacian 0.2104314E+00 (-1/4)Del**2(Rho)) -0.5260784E-01 Diamond 0.1211917E+00 Metallicity 0.2619728E+01 Ellipticity 0.1752240E-01 Gb(Abramov) 0.5804160E-01 Vb(Abramov) -0.6347536E-01 Hb(Abramov) -0.5433759E-02 Ex_ueg -0.1551867E-01 Ec_ueg -0.2703645E-02 Delta_ex -0.1772828E-01 Delta_ec 0.6210931E-02 Delta_et -0.6716927E-01 Pxc 0.5739906E+01 Qxc -0.2854367E+01 3,-1 83 3 -1 0.756924 1.651531 -1.603909 Rho 0.3183915E-01 |GRAD(Rho)| 0.3438625E-14 GRAD(Rho)x 0.1154928E-14 GRAD(Rho)y 0.3122241E-14 GRAD(Rho)z -0.8613342E-15 Laplacian 0.1183568E+00 (-1/4)Del**2(Rho)) -0.2958921E-01 Diamond 0.3049160E-01 Metallicity 0.1862182E+01 Ellipticity 0.5588039E-01 Gb(Abramov) 0.2890956E-01 Vb(Abramov) -0.2822991E-01 Hb(Abramov) 0.6796531E-03 Ex_ueg -0.7453043E-02 Ec_ueg -0.1438857E-02 Delta_ex -0.8555622E-02 Delta_ec 0.3257255E-02 Delta_et -0.3042044E-01 Pxc 0.5179836E+01 Qxc -0.2626636E+01 3,-1 84 3 +1 -0.018226 2.992491 -0.222673 Rho 0.5921726E-02 |GRAD(Rho)| 0.2934812E-17 GRAD(Rho)x 0.2894771E-17 GRAD(Rho)y 0.1432369E-18 GRAD(Rho)z -0.4614174E-18 Laplacian 0.2467806E-01 (-1/4)Del**2(Rho)) -0.6169516E-02 Diamond 0.6762821E-03 Metallicity 0.5412309E+00 Ellipticity -0.2443889E+01 Gb(Abramov) 0.4669532E-02 Vb(Abramov) -0.3169549E-02 Hb(Abramov) 0.1499983E-02 Ex_ueg -0.7912543E-03 Ec_ueg -0.1867915E-03 Delta_ex -0.1233918E-02 Delta_ec 0.7158696E-03 Delta_et -0.4114249E-02 Pxc 0.4236029E+01 Qxc -0.1723664E+01 3,+1 85 3 -1 -0.018771 2.979850 0.065608 Rho 0.5998492E-02 |GRAD(Rho)| 0.5391948E-15 GRAD(Rho)x 0.4412114E-15 GRAD(Rho)y -0.3067228E-15 GRAD(Rho)z 0.4454983E-16 Laplacian 0.2435841E-01 (-1/4)Del**2(Rho)) -0.6089604E-02 Diamond 0.8397907E-03 Metallicity 0.5602317E+00 Ellipticity 0.3300029E+01 Gb(Abramov) 0.4628334E-02 Vb(Abramov) -0.3167064E-02 Hb(Abramov) 0.1461270E-02 Ex_ueg -0.8049605E-03 Ec_ueg -0.1901319E-03 Delta_ex -0.1338109E-02 Delta_ec 0.9154468E-03 Delta_et -0.5191974E-02 Pxc 0.4233696E+01 Qxc -0.1461700E+01 3,-1 86 3 -1 -0.134112 0.405539 2.401222 Rho 0.5752542E-01 |GRAD(Rho)| 0.1549741E-15 GRAD(Rho)x -0.1349893E-16 GRAD(Rho)y -0.6632268E-18 GRAD(Rho)z -0.1543836E-15 Laplacian 0.2186123E+00 (-1/4)Del**2(Rho)) -0.5465309E-01 Diamond 0.1331838E+00 Metallicity 0.2702121E+01 Ellipticity 0.1859672E-01 Gb(Abramov) 0.6104860E-01 Vb(Abramov) -0.6744411E-01 Hb(Abramov) -0.6395514E-02 Ex_ueg -0.1640079E-01 Ec_ueg -0.2834889E-02 Delta_ex -0.1861205E-01 Delta_ec 0.6448956E-02 Delta_et -0.7048490E-01 Pxc 0.5785339E+01 Qxc -0.2886056E+01 3,-1 87 3 -1 -0.211624 0.257843 0.658074 Rho 0.1601831E+00 |GRAD(Rho)| 0.6091102E-13 GRAD(Rho)x -0.5339913E-14 GRAD(Rho)y -0.3793667E-13 GRAD(Rho)z -0.4735448E-13 Laplacian 0.3752036E+00 (-1/4)Del**2(Rho)) -0.9380089E-01 Diamond 0.8433021E+00 Metallicity 0.8677088E+01 Ellipticity 0.6479786E-02 Gb(Abramov) 0.1981870E+00 Vb(Abramov) -0.3025732E+00 Hb(Abramov) -0.1043861E+00 Ex_ueg -0.6425013E-01 Ec_ueg -0.9098534E-02 Delta_ex -0.4113951E-01 Delta_ec 0.9698915E-02 Delta_et -0.1310961E+00 Pxc 0.7061591E+01 Qxc -0.4241661E+01 3,-1 88 3 +1 0.670726 -0.664311 1.494696 Rho 0.9381314E-02 |GRAD(Rho)| 0.8221373E-12 GRAD(Rho)x 0.9082320E-13 GRAD(Rho)y -0.7748160E-12 GRAD(Rho)z -0.2594631E-12 Laplacian 0.3779465E-01 (-1/4)Del**2(Rho)) -0.9448662E-02 Diamond 0.1083897E-02 Metallicity 0.7608323E+00 Ellipticity -0.1389632E+01 Gb(Abramov) 0.7497249E-02 Vb(Abramov) -0.5545837E-02 Hb(Abramov) 0.1951413E-02 Ex_ueg -0.1461291E-02 Ec_ueg -0.3400724E-03 Delta_ex -0.1743169E-02 Delta_ec 0.4925165E-03 Delta_et -0.3473255E-02 Pxc 0.4296999E+01 Qxc -0.3539310E+01 3,+1 89 3 +3 -0.008535 1.874090 -2.659105 Rho 0.1180435E-01 |GRAD(Rho)| 0.5820301E-17 GRAD(Rho)x 0.2367463E-17 GRAD(Rho)y 0.5196216E-17 GRAD(Rho)z 0.1127105E-17 Laplacian 0.5401594E-01 (-1/4)Del**2(Rho)) -0.1350399E-01 Diamond 0.1232522E-02 Metallicity 0.7807192E+00 Ellipticity -0.7423107E+00 Gb(Abramov) 0.1075979E-01 Vb(Abramov) -0.8015602E-02 Hb(Abramov) 0.2744192E-02 Ex_ueg -0.1985065E-02 Ec_ueg -0.4505448E-03 Delta_ex -0.2382624E-02 Delta_ec 0.2351032E-03 Delta_et -0.2117035E-02 Pxc 0.4405921E+01 Qxc -0.1013437E+02 3,+3 90 3 +1 0.003918 2.015816 -2.846700 Rho 0.1195585E-01 |GRAD(Rho)| 0.1929796E-12 GRAD(Rho)x 0.1630482E-12 GRAD(Rho)y 0.5167509E-13 GRAD(Rho)z 0.8936500E-13 Laplacian 0.5557561E-01 (-1/4)Del**2(Rho)) -0.1389390E-01 Diamond 0.1818628E-02 Metallicity 0.7751094E+00 Ellipticity -0.1152047E+01 Gb(Abramov) 0.1105748E-01 Vb(Abramov) -0.8221066E-02 Hb(Abramov) 0.2836418E-02 Ex_ueg -0.2019105E-02 Ec_ueg -0.4575313E-03 Delta_ex -0.2613823E-02 Delta_ec 0.5154975E-03 Delta_et -0.4020406E-02 Pxc 0.4413044E+01 Qxc -0.5070487E+01 3,+1 91 3 -1 2.719459 -1.990242 -1.526600 Rho 0.7438224E-01 |GRAD(Rho)| 0.4134084E-14 GRAD(Rho)x -0.3202278E-14 GRAD(Rho)y -0.2437822E-14 GRAD(Rho)z -0.9450368E-15 Laplacian 0.2977559E+00 (-1/4)Del**2(Rho)) -0.7443898E-01 Diamond 0.2553058E+00 Metallicity 0.3044632E+01 Ellipticity 0.8664331E-02 Gb(Abramov) 0.8739921E-01 Vb(Abramov) -0.1003594E+00 Hb(Abramov) -0.1296023E-01 Ex_ueg -0.2310348E-01 Ec_ueg -0.3801449E-02 Delta_ex -0.2703157E-01 Delta_ec 0.8676605E-02 Delta_et -0.1010123E+00 Pxc 0.6077546E+01 Qxc -0.3115455E+01 3,-1 92 3 +3 1.702145 -0.015580 1.492280 Rho 0.3563815E-02 |GRAD(Rho)| 0.6375469E-17 GRAD(Rho)x 0.1799287E-17 GRAD(Rho)y 0.4879869E-17 GRAD(Rho)z -0.3687282E-17 Laplacian 0.1443924E-01 (-1/4)Del**2(Rho)) -0.3609811E-02 Diamond 0.8913298E-04 Metallicity 0.3968204E+00 Ellipticity -0.1960268E+00 Gb(Abramov) 0.2645282E-02 Vb(Abramov) -0.1680753E-02 Hb(Abramov) 0.9645293E-03 Ex_ueg -0.4020425E-03 Ec_ueg -0.8564132E-04 Delta_ex -0.4919774E-03 Delta_ec 0.1303339E-03 Delta_et -0.7734148E-03 Pxc 0.4694492E+01 Qxc -0.3774747E+01 3,+3 93 3 -1 0.622374 0.809547 3.462413 Rho 0.8789969E-01 |GRAD(Rho)| 0.2527537E-13 GRAD(Rho)x -0.1525096E-13 GRAD(Rho)y -0.2005271E-13 GRAD(Rho)z 0.2035015E-14 Laplacian 0.3559786E+00 (-1/4)Del**2(Rho)) -0.8899466E-01 Diamond 0.3752974E+00 Metallicity 0.3363836E+01 Ellipticity 0.1832714E-01 Gb(Abramov) 0.1092237E+00 Vb(Abramov) -0.1294527E+00 Hb(Abramov) -0.2022902E-01 Ex_ueg -0.2886478E-01 Ec_ueg -0.4598088E-02 Delta_ex -0.3360086E-01 Delta_ec 0.1007759E-01 Delta_et -0.1217722E+00 Pxc 0.6277561E+01 Qxc -0.3334215E+01 3,-1 94 3 -1 0.672559 0.796829 -3.457056 Rho 0.8649015E-01 |GRAD(Rho)| 0.1539219E-15 GRAD(Rho)x 0.1528928E-15 GRAD(Rho)y 0.1568705E-16 GRAD(Rho)z -0.8344969E-17 Laplacian 0.3487822E+00 (-1/4)Del**2(Rho)) -0.8719556E-01 Diamond 0.3601942E+00 Metallicity 0.3341975E+01 Ellipticity 0.1467225E-01 Gb(Abramov) 0.1066979E+00 Vb(Abramov) -0.1262003E+00 Hb(Abramov) -0.1950238E-01 Ex_ueg -0.2824927E-01 Ec_ueg -0.4514221E-02 Delta_ex -0.3279155E-01 Delta_ec 0.9893208E-02 Delta_et -0.1191196E+00 Pxc 0.6257840E+01 Qxc -0.3314552E+01 3,-1 95 3 +1 2.186538 -0.045377 2.039163 Rho 0.4506119E-02 |GRAD(Rho)| 0.3417778E-17 GRAD(Rho)x -0.2015696E-17 GRAD(Rho)y -0.2721840E-17 GRAD(Rho)z 0.4580012E-18 Laplacian 0.1807635E-01 (-1/4)Del**2(Rho)) -0.4519087E-02 Diamond 0.3843985E-03 Metallicity 0.4686410E+00 Ellipticity -0.3392335E+01 Gb(Abramov) 0.3365696E-02 Vb(Abramov) -0.2212305E-02 Hb(Abramov) 0.1153391E-02 Ex_ueg -0.5496952E-03 Ec_ueg -0.1257214E-03 Delta_ex -0.9000547E-03 Delta_ec 0.6031860E-03 Delta_et -0.3161093E-02 Pxc 0.4372328E+01 Qxc -0.1492168E+01 3,+1 96 3 -1 0.829576 1.630733 1.619049 Rho 0.3020188E-01 |GRAD(Rho)| 0.9460108E-16 GRAD(Rho)x 0.9282983E-16 GRAD(Rho)y 0.1498878E-16 GRAD(Rho)z 0.1035969E-16 Laplacian 0.1103573E+00 (-1/4)Del**2(Rho)) -0.2758934E-01 Diamond 0.2622092E-01 Metallicity 0.1828951E+01 Ellipticity 0.1436611E+00 Gb(Abramov) 0.2680281E-01 Vb(Abramov) -0.2601629E-01 Hb(Abramov) 0.7865230E-03 Ex_ueg -0.6946464E-02 Ec_ueg -0.1354025E-02 Delta_ex -0.7853814E-02 Delta_ec 0.3002071E-02 Delta_et -0.2763847E-01 Pxc 0.5130232E+01 Qxc -0.2616132E+01 3,-1 97 3 +1 0.714762 1.313450 2.228093 Rho 0.2499042E-01 |GRAD(Rho)| 0.2996926E-16 GRAD(Rho)x -0.7153329E-17 GRAD(Rho)y -0.1149550E-17 GRAD(Rho)z -0.2908032E-16 Laplacian 0.9534620E-01 (-1/4)Del**2(Rho)) -0.2383655E-01 Diamond 0.1292469E-01 Metallicity 0.1543828E+01 Ellipticity -0.5573805E+01 Gb(Abramov) 0.2202429E-01 Vb(Abramov) -0.2021203E-01 Hb(Abramov) 0.1812260E-02 Ex_ueg -0.5396138E-02 Ec_ueg -0.1088232E-02 Delta_ex -0.5979507E-02 Delta_ec 0.1707397E-02 Delta_et -0.1504933E-01 Pxc 0.4958630E+01 Qxc -0.3502119E+01 3,+1 98 3 +3 -0.018516 1.873402 2.648559 Rho 0.1188460E-01 |GRAD(Rho)| 0.1892681E-13 GRAD(Rho)x -0.4206355E-14 GRAD(Rho)y -0.1090721E-13 GRAD(Rho)z -0.1488501E-13 Laplacian 0.5429126E-01 (-1/4)Del**2(Rho)) -0.1357282E-01 Diamond 0.1221539E-02 Metallicity 0.7855803E+00 Ellipticity -0.7069147E+00 Gb(Abramov) 0.1082563E-01 Vb(Abramov) -0.8078451E-02 Hb(Abramov) 0.2747182E-02 Ex_ueg -0.2003077E-02 Ec_ueg -0.4542442E-03 Delta_ex -0.2391011E-02 Delta_ec 0.2211161E-03 Delta_et -0.2027609E-02 Pxc 0.4409692E+01 Qxc -0.1081337E+02 3,+3 99 3 -1 0.957133 -3.106723 -1.716804 Rho 0.2285312E+00 |GRAD(Rho)| 0.2780077E-14 GRAD(Rho)x 0.2131433E-14 GRAD(Rho)y 0.1784868E-14 GRAD(Rho)z -0.8369638E-17 Laplacian 0.8814433E+00 (-1/4)Del**2(Rho)) -0.2203608E+00 Diamond 0.2911889E+01 Metallicity 0.6678229E+01 Ellipticity 0.8125173E-02 Gb(Abramov) 0.3921772E+00 Vb(Abramov) -0.5639936E+00 Hb(Abramov) -0.1718164E+00 Ex_ueg -0.1031919E+00 Ec_ueg -0.1364991E-01 Delta_ex -0.1049925E+00 Delta_ec 0.1947800E-01 Delta_et -0.2681275E+00 Pxc 0.7559897E+01 Qxc -0.5390312E+01 3,-1 100 3 -1 2.718554 -1.953566 1.502766 Rho 0.7914010E-01 |GRAD(Rho)| 0.3474177E-15 GRAD(Rho)x 0.2536084E-15 GRAD(Rho)y 0.2215330E-15 GRAD(Rho)z -0.8546901E-16 Laplacian 0.3174915E+00 (-1/4)Del**2(Rho)) -0.7937288E-01 Diamond 0.2943835E+00 Metallicity 0.3166227E+01 Ellipticity 0.1202958E-01 Gb(Abramov) 0.9480067E-01 Vb(Abramov) -0.1102285E+00 Hb(Abramov) -0.1542780E-01 Ex_ueg -0.2509461E-01 Ec_ueg -0.4079852E-02 Delta_ex -0.2925037E-01 Delta_ec 0.9172071E-02 Delta_et -0.1083145E+00 Pxc 0.6150864E+01 Qxc -0.3189069E+01 3,-1 101 3 +1 1.603624 0.382699 0.818899 Rho 0.4859159E-02 |GRAD(Rho)| 0.1833804E-17 GRAD(Rho)x -0.1593307E-17 GRAD(Rho)y -0.1390593E-18 GRAD(Rho)z -0.8971462E-18 Laplacian 0.1821021E-01 (-1/4)Del**2(Rho)) -0.4552554E-02 Diamond 0.2457863E-03 Metallicity 0.5275132E+00 Ellipticity -0.1365903E+01 Gb(Abramov) 0.3435291E-02 Vb(Abramov) -0.2318029E-02 Hb(Abramov) 0.1117262E-02 Ex_ueg -0.6078549E-03 Ec_ueg -0.1408569E-03 Delta_ex -0.7433129E-03 Delta_ec 0.2929118E-03 Delta_et -0.1690919E-02 Pxc 0.4315407E+01 Qxc -0.2537668E+01 3,+1 102 3 +1 2.129444 -0.063994 -1.983806 Rho 0.4547378E-02 |GRAD(Rho)| 0.4825383E-17 GRAD(Rho)x -0.4293620E-19 GRAD(Rho)y -0.4824192E-17 GRAD(Rho)z 0.9823789E-19 Laplacian 0.1845855E-01 (-1/4)Del**2(Rho)) -0.4614637E-02 Diamond 0.4070680E-03 Metallicity 0.4659623E+00 Ellipticity -0.4318988E+01 Gb(Abramov) 0.3434799E-02 Vb(Abramov) -0.2254961E-02 Hb(Abramov) 0.1179838E-02 Ex_ueg -0.5564163E-03 Ec_ueg -0.1274869E-03 Delta_ex -0.9308744E-03 Delta_ec 0.6342041E-03 Delta_et -0.3325794E-02 Pxc 0.4364496E+01 Qxc -0.1467784E+01 3,+1 103 3 -1 2.108835 -3.034762 -0.797837 Rho 0.1365763E+00 |GRAD(Rho)| 0.5433608E-12 GRAD(Rho)x -0.1643166E-12 GRAD(Rho)y 0.1954865E-12 GRAD(Rho)z -0.4796103E-12 Laplacian 0.5233823E+00 (-1/4)Del**2(Rho)) -0.1308456E+00 Diamond 0.9586297E+00 Metallicity 0.4768918E+01 Ellipticity 0.4308742E-01 Gb(Abramov) 0.1912290E+00 Vb(Abramov) -0.2516125E+00 Hb(Abramov) -0.6038344E-01 Ex_ueg -0.5194602E-01 Ec_ueg -0.7589824E-02 Delta_ex -0.5505746E-01 Delta_ec 0.1380900E-01 Delta_et -0.1817531E+00 Pxc 0.6844166E+01 Qxc -0.3987071E+01 3,-1 104 3 -1 1.484410 -1.866582 0.835655 Rho 0.5557839E-01 |GRAD(Rho)| 0.1990729E-15 GRAD(Rho)x -0.3565479E-16 GRAD(Rho)y 0.1354245E-15 GRAD(Rho)z -0.1414884E-15 Laplacian 0.2128458E+00 (-1/4)Del**2(Rho)) -0.5321145E-01 Diamond 0.1236199E+00 Metallicity 0.2620543E+01 Ellipticity 0.1864987E-01 Gb(Abramov) 0.5871479E-01 Vb(Abramov) -0.6421812E-01 Hb(Abramov) -0.5503335E-02 Ex_ueg -0.1566485E-01 Ec_ueg -0.2725470E-02 Delta_ex -0.1795852E-01 Delta_ec 0.6272500E-02 Delta_et -0.6795376E-01 Pxc 0.5747578E+01 Qxc -0.2863055E+01 3,-1 105 3 -1 0.582918 -0.625276 3.170289 Rho 0.1394972E+00 |GRAD(Rho)| 0.2499569E-15 GRAD(Rho)x -0.1702604E-15 GRAD(Rho)y -0.1557050E-15 GRAD(Rho)z -0.9615518E-16 Laplacian 0.5754411E+00 (-1/4)Del**2(Rho)) -0.1438603E+00 Diamond 0.1075696E+01 Metallicity 0.4493193E+01 Ellipticity 0.4859244E-02 Gb(Abramov) 0.2036388E+00 Vb(Abramov) -0.2634174E+00 Hb(Abramov) -0.5977856E-01 Ex_ueg -0.5343255E-01 Ec_ueg -0.7774614E-02 Delta_ex -0.6078540E-01 Delta_ec 0.1499909E-01 Delta_et -0.1978552E+00 Pxc 0.6872695E+01 Qxc -0.4052607E+01 3,-1 106 3 +3 1.637276 -0.016198 -1.524954 Rho 0.3775224E-02 |GRAD(Rho)| 0.6057137E-14 GRAD(Rho)x -0.5641991E-14 GRAD(Rho)y 0.2193386E-14 GRAD(Rho)z 0.2142514E-15 Laplacian 0.1544581E-01 (-1/4)Del**2(Rho)) -0.3861452E-02 Diamond 0.1075229E-03 Metallicity 0.4083574E+00 Ellipticity -0.1889761E+00 Gb(Abramov) 0.2837110E-02 Vb(Abramov) -0.1812768E-02 Hb(Abramov) 0.1024342E-02 Ex_ueg -0.4341522E-03 Ec_ueg -0.9459253E-04 Delta_ex -0.5399438E-03 Delta_ec 0.1501276E-03 Delta_et -0.8880375E-03 Pxc 0.4589709E+01 Qxc -0.3596566E+01 3,+3 107 3 -1 2.452359 -0.693009 -0.020645 Rho 0.2232797E-01 |GRAD(Rho)| 0.2378394E-14 GRAD(Rho)x 0.5803420E-17 GRAD(Rho)y -0.1914648E-14 GRAD(Rho)z 0.1410974E-14 Laplacian 0.8626051E-01 (-1/4)Del**2(Rho)) -0.2156513E-01 Diamond 0.1348342E-01 Metallicity 0.1414327E+01 Ellipticity 0.1843873E+00 Gb(Abramov) 0.1946011E-01 Vb(Abramov) -0.1735509E-01 Hb(Abramov) 0.2105018E-02 Ex_ueg -0.4643556E-02 Ec_ueg -0.9551461E-03 Delta_ex -0.5689158E-02 Delta_ec 0.2326460E-02 Delta_et -0.1970648E-01 Pxc 0.4861619E+01 Qxc -0.2445414E+01 3,-1 108 3 +1 2.492546 -0.992348 0.392884 Rho 0.2029485E-01 |GRAD(Rho)| 0.2809935E-16 GRAD(Rho)x 0.2359402E-16 GRAD(Rho)y 0.1667019E-17 GRAD(Rho)z 0.1516959E-16 Laplacian 0.7515014E-01 (-1/4)Del**2(Rho)) -0.1878754E-01 Diamond 0.7151199E-02 Metallicity 0.1384607E+01 Ellipticity -0.2997097E+01 Gb(Abramov) 0.1686058E-01 Vb(Abramov) -0.1493363E-01 Hb(Abramov) 0.1926954E-02 Ex_ueg -0.4088520E-02 Ec_ueg -0.8548675E-03 Delta_ex -0.4389902E-02 Delta_ec 0.1217082E-02 Delta_et -0.1022238E-01 Pxc 0.4782636E+01 Qxc -0.3606908E+01 3,+1 109 3 -1 0.983934 -3.084393 1.723510 Rho 0.2275116E+00 |GRAD(Rho)| 0.2518190E-10 GRAD(Rho)x -0.2210675E-10 GRAD(Rho)y -0.1205694E-10 GRAD(Rho)z 0.2234474E-12 Laplacian 0.8816908E+00 (-1/4)Del**2(Rho)) -0.2204227E+00 Diamond 0.2893449E+01 Metallicity 0.6626784E+01 Ellipticity 0.8819250E-02 Gb(Abramov) 0.3903974E+00 Vb(Abramov) -0.5603722E+00 Hb(Abramov) -0.1699747E+00 Ex_ueg -0.1025785E+00 Ec_ueg -0.1358010E-01 Delta_ex -0.1048791E+00 Delta_ec 0.1947185E-01 Delta_et -0.2678380E+00 Pxc 0.7553592E+01 Qxc -0.5386192E+01 3,-1 110 3 +1 1.751226 -2.286443 0.002783 Rho 0.3129296E-01 |GRAD(Rho)| 0.2874712E-15 GRAD(Rho)x 0.2115269E-15 GRAD(Rho)y 0.1481822E-15 GRAD(Rho)z 0.1262462E-15 Laplacian 0.1280386E+00 (-1/4)Del**2(Rho)) -0.3200964E-01 Diamond 0.2374727E-01 Metallicity 0.1672439E+01 Ellipticity -0.7123214E+01 Gb(Abramov) 0.3026212E-01 Vb(Abramov) -0.2851460E-01 Hb(Abramov) 0.1747520E-02 Ex_ueg -0.7283061E-02 Ec_ueg -0.1410491E-02 Delta_ex -0.8533957E-02 Delta_ec 0.2306462E-02 Delta_et -0.2147877E-01 Pxc 0.5163495E+01 Qxc -0.3700021E+01 3,+1 111 3 -1 1.493540 -1.877064 -2.317831 Rho 0.1397927E+00 |GRAD(Rho)| 0.3554630E-15 GRAD(Rho)x 0.1273260E-16 GRAD(Rho)y -0.5275999E-16 GRAD(Rho)z 0.3512951E-15 Laplacian 0.5794864E+00 (-1/4)Del**2(Rho)) -0.1448716E+00 Diamond 0.1084826E+01 Metallicity 0.4477589E+01 Ellipticity 0.2834971E-02 Gb(Abramov) 0.2046936E+00 Vb(Abramov) -0.2645157E+00 Hb(Abramov) -0.5982204E-01 Ex_ueg -0.5358351E-01 Ec_ueg -0.7793338E-02 Delta_ex -0.6123120E-01 Delta_ec 0.1507356E-01 Delta_et -0.1988543E+00 Pxc 0.6875553E+01 Qxc -0.4062158E+01 3,-1 112 3 -1 1.503437 -1.851503 2.320478 Rho 0.1375471E+00 |GRAD(Rho)| 0.1994169E-12 GRAD(Rho)x 0.1133842E-12 GRAD(Rho)y 0.1540073E-12 GRAD(Rho)z 0.5650536E-13 Laplacian 0.5704828E+00 (-1/4)Del**2(Rho)) -0.1426207E+00 Diamond 0.1047822E+01 Metallicity 0.4427137E+01 Ellipticity 0.2005693E-02 Gb(Abramov) 0.2003140E+00 Vb(Abramov) -0.2580074E+00 Hb(Abramov) -0.5769334E-01 Ex_ueg -0.5243891E-01 Ec_ueg -0.7651179E-02 Delta_ex -0.6004802E-01 Delta_ec 0.1490620E-01 Delta_et -0.1961740E+00 Pxc 0.6853703E+01 Qxc -0.4028393E+01 3,-1 113 3 -1 1.539832 1.974512 2.705861 Rho 0.1717053E+00 |GRAD(Rho)| 0.9826780E-09 GRAD(Rho)x -0.2668536E-09 GRAD(Rho)y -0.5086623E-09 GRAD(Rho)z 0.7973128E-09 Laplacian 0.6628814E+00 (-1/4)Del**2(Rho)) -0.1657204E+00 Diamond 0.1577975E+01 Metallicity 0.5514214E+01 Ellipticity 0.3871587E-01 Gb(Abramov) 0.2627831E+00 Vb(Abramov) -0.3598459E+00 Hb(Abramov) -0.9706279E-01 Ex_ueg -0.7048500E-01 Ec_ueg -0.9847155E-02 Delta_ex -0.7359632E-01 Delta_ec 0.1622133E-01 Delta_et -0.2195905E+00 Pxc 0.7157905E+01 Qxc -0.4537009E+01 3,-1 114 3 -1 1.528855 1.978643 -2.676266 Rho 0.1742994E+00 |GRAD(Rho)| 0.2780523E-11 GRAD(Rho)x 0.4932805E-12 GRAD(Rho)y 0.1559608E-11 GRAD(Rho)z 0.2248468E-11 Laplacian 0.6740285E+00 (-1/4)Del**2(Rho)) -0.1685071E+00 Diamond 0.1635146E+01 Metallicity 0.5560256E+01 Ellipticity 0.3882117E-01 Gb(Abramov) 0.2684952E+00 Vb(Abramov) -0.3684833E+00 Hb(Abramov) -0.9998810E-01 Ex_ueg -0.7190841E-01 Ec_ueg -0.1001677E-01 Delta_ex -0.7512762E-01 Delta_ec 0.1645147E-01 Delta_et -0.2231434E+00 Pxc 0.7178800E+01 Qxc -0.4566620E+01 3,-1 115 3 -1 2.119289 -3.020488 0.796010 Rho 0.1345775E+00 |GRAD(Rho)| 0.5249797E-15 GRAD(Rho)x -0.1174326E-15 GRAD(Rho)y 0.3905567E-15 GRAD(Rho)z 0.3305732E-15 Laplacian 0.5152770E+00 (-1/4)Del**2(Rho)) -0.1288193E+00 Diamond 0.9276693E+00 Metallicity 0.4726357E+01 Ellipticity 0.4114386E-01 Gb(Abramov) 0.1873538E+00 Vb(Abramov) -0.2458884E+00 Hb(Abramov) -0.5853455E-01 Ex_ueg -0.5093485E-01 Ec_ueg -0.7463687E-02 Delta_ex -0.5401729E-01 Delta_ec 0.1365264E-01 Delta_et -0.1792916E+00 Pxc 0.6824355E+01 Qxc -0.3956545E+01 3,-1 116 3 -1 2.295269 3.210021 -2.185264 Rho 0.2291902E+00 |GRAD(Rho)| 0.3736347E-15 GRAD(Rho)x 0.2815131E-15 GRAD(Rho)y 0.1862117E-15 GRAD(Rho)z -0.1602451E-15 Laplacian 0.8283716E+00 (-1/4)Del**2(Rho)) -0.2070929E+00 Diamond 0.2784709E+01 Metallicity 0.7140270E+01 Ellipticity 0.7301202E-03 Gb(Abramov) 0.3845118E+00 Vb(Abramov) -0.5619307E+00 Hb(Abramov) -0.1774189E+00 Ex_ueg -0.1035889E+00 Ec_ueg -0.1369506E-01 Delta_ex -0.9896367E-01 Delta_ec 0.1868040E-01 Delta_et -0.2588270E+00 Pxc 0.7563957E+01 Qxc -0.5297726E+01 3,-1 117 3 -1 2.365856 3.185527 2.233734 Rho 0.2295040E+00 |GRAD(Rho)| 0.1895663E-13 GRAD(Rho)x -0.1800209E-14 GRAD(Rho)y -0.1501571E-13 GRAD(Rho)z 0.1142985E-13 Laplacian 0.8277711E+00 (-1/4)Del**2(Rho)) -0.2069428E+00 Diamond 0.2787851E+01 Metallicity 0.7161763E+01 Ellipticity 0.3640490E-02 Gb(Abramov) 0.3849743E+00 Vb(Abramov) -0.5630059E+00 Hb(Abramov) -0.1780316E+00 Ex_ueg -0.1037780E+00 Ec_ueg -0.1371657E-01 Delta_ex -0.9893030E-01 Delta_ec 0.1866530E-01 Delta_et -0.2586592E+00 Pxc 0.7565886E+01 Qxc -0.5300226E+01 3,-1 118 3 -1 2.471165 1.813744 1.588935 Rho 0.1736342E+00 |GRAD(Rho)| 0.1368850E-11 GRAD(Rho)x 0.9100654E-12 GRAD(Rho)y -0.9340887E-12 GRAD(Rho)z -0.4159443E-12 Laplacian 0.7187167E+00 (-1/4)Del**2(Rho)) -0.1796792E+00 Diamond 0.1724633E+01 Metallicity 0.5181402E+01 Ellipticity 0.3034600E-01 Gb(Abramov) 0.2749512E+00 Vb(Abramov) -0.3702231E+00 Hb(Abramov) -0.9527197E-01 Ex_ueg -0.7154269E-01 Ec_ueg -0.9973236E-02 Delta_ex -0.7994223E-01 Delta_ec 0.1739967E-01 Delta_et -0.2354490E+00 Pxc 0.7173468E+01 Qxc -0.4594469E+01 3,-1 119 3 -1 2.361939 1.824323 -1.521736 Rho 0.1416915E+00 |GRAD(Rho)| 0.4663779E-14 GRAD(Rho)x -0.2982532E-14 GRAD(Rho)y 0.3053113E-14 GRAD(Rho)z 0.1879851E-14 Laplacian 0.5964568E+00 (-1/4)Del**2(Rho)) -0.1491142E+00 Diamond 0.1129646E+01 Metallicity 0.4449118E+01 Ellipticity 0.1370851E-01 Gb(Abramov) 0.2099806E+00 Vb(Abramov) -0.2708470E+00 Hb(Abramov) -0.6086639E-01 Ex_ueg -0.5455613E-01 Ec_ueg -0.7913792E-02 Delta_ex -0.6317579E-01 Delta_ec 0.1536453E-01 Delta_et -0.2028977E+00 Pxc 0.6893804E+01 Qxc -0.4111795E+01 3,-1 120 3 +1 2.524287 1.786750 0.055533 Rho 0.1258938E-01 |GRAD(Rho)| 0.7854432E-13 GRAD(Rho)x 0.4188457E-13 GRAD(Rho)y -0.6636600E-13 GRAD(Rho)z -0.3232157E-14 Laplacian 0.6251969E-01 (-1/4)Del**2(Rho)) -0.1562992E-01 Diamond 0.2637559E-02 Metallicity 0.7509368E+00 Ellipticity -0.1272416E+01 Gb(Abramov) 0.1237613E-01 Vb(Abramov) -0.9122335E-02 Hb(Abramov) 0.3253793E-02 Ex_ueg -0.2163004E-02 Ec_ueg -0.4868446E-03 Delta_ex -0.3102020E-02 Delta_ec 0.7931412E-03 Delta_et -0.6030968E-02 Pxc 0.4442905E+01 Qxc -0.3911056E+01 3,+1 121 3 +1 3.021266 -1.997142 -0.018344 Rho 0.1170400E-01 |GRAD(Rho)| 0.6588977E-15 GRAD(Rho)x -0.5955357E-15 GRAD(Rho)y 0.2809367E-15 GRAD(Rho)z 0.2362276E-16 Laplacian 0.5388876E-01 (-1/4)Del**2(Rho)) -0.1347219E-01 Diamond 0.1826378E-02 Metallicity 0.7715048E+00 Ellipticity -0.1211980E+01 Gb(Abramov) 0.1071377E-01 Vb(Abramov) -0.7955350E-02 Hb(Abramov) 0.2758420E-02 Ex_ueg -0.1962595E-02 Ec_ueg -0.4459218E-03 Delta_ex -0.2553738E-02 Delta_ec 0.5606509E-03 Delta_et -0.4286396E-02 Pxc 0.4401209E+01 Qxc -0.4554952E+01 3,+1 122 3 +3 2.723404 -1.819899 -0.022804 Rho 0.1124720E-01 |GRAD(Rho)| 0.2431955E-14 GRAD(Rho)x -0.2265820E-14 GRAD(Rho)y 0.8829146E-15 GRAD(Rho)z 0.3043658E-16 Laplacian 0.5069187E-01 (-1/4)Del**2(Rho)) -0.1267297E-01 Diamond 0.1004917E-02 Metallicity 0.7675067E+00 Ellipticity -0.5558608E+00 Gb(Abramov) 0.1006974E-01 Vb(Abramov) -0.7466518E-02 Hb(Abramov) 0.2603224E-02 Ex_ueg -0.1861134E-02 Ec_ueg -0.4249296E-03 Delta_ex -0.2180655E-02 Delta_ec 0.1777754E-03 Delta_et -0.1693287E-02 Pxc 0.4379864E+01 Qxc -0.1226635E+02 3,+3 123 3 -1 3.309922 0.566530 -0.665350 Rho 0.1248233E+00 |GRAD(Rho)| 0.1062485E-13 GRAD(Rho)x -0.1015960E-13 GRAD(Rho)y 0.1517077E-14 GRAD(Rho)z -0.2714497E-14 Laplacian 0.5218255E+00 (-1/4)Del**2(Rho)) -0.1304564E+00 Diamond 0.8392164E+00 Metallicity 0.4116998E+01 Ellipticity 0.1115125E-01 Gb(Abramov) 0.1764857E+00 Vb(Abramov) -0.2225150E+00 Hb(Abramov) -0.4602931E-01 Ex_ueg -0.4607294E-01 Ec_ueg -0.6851906E-02 Delta_ex -0.5348223E-01 Delta_ec 0.1364236E-01 Delta_et -0.1761854E+00 Pxc 0.6724106E+01 Qxc -0.3920305E+01 3,-1 124 3 -1 3.366495 0.575482 0.675939 Rho 0.9479978E-01 |GRAD(Rho)| 0.1229317E-13 GRAD(Rho)x -0.1135687E-13 GRAD(Rho)y 0.2000841E-14 GRAD(Rho)z 0.4259126E-14 Laplacian 0.3942943E+00 (-1/4)Del**2(Rho)) -0.9857357E-01 Diamond 0.4575539E+00 Metallicity 0.3444595E+01 Ellipticity 0.8446979E-02 Gb(Abramov) 0.1223067E+00 Vb(Abramov) -0.1460399E+00 Hb(Abramov) -0.2373315E-01 Ex_ueg -0.3192480E-01 Ec_ueg -0.5011132E-02 Delta_ex -0.3791096E-01 Delta_ec 0.1105103E-01 Delta_et -0.1357234E+00 Pxc 0.6370775E+01 Qxc -0.3430536E+01 3,-1 125 3 -1 3.617352 -0.791358 0.684792 Rho 0.1714688E+00 |GRAD(Rho)| 0.7419895E-16 GRAD(Rho)x -0.6879940E-16 GRAD(Rho)y -0.1512462E-16 GRAD(Rho)z 0.2331035E-16 Laplacian 0.6521692E+00 (-1/4)Del**2(Rho)) -0.1630423E+00 Diamond 0.1543179E+01 Metallicity 0.5591927E+01 Ellipticity 0.4399313E-01 Gb(Abramov) 0.2606483E+00 Vb(Abramov) -0.3582543E+00 Hb(Abramov) -0.9760599E-01 Ex_ueg -0.7035558E-01 Ec_ueg -0.9831710E-02 Delta_ex -0.7232595E-01 Delta_ec 0.1586478E-01 Delta_et -0.2144502E+00 Pxc 0.7155986E+01 Qxc -0.4558900E+01 3,-1 126 3 -1 4.641795 0.070862 -0.049538 Rho 0.2170193E+00 |GRAD(Rho)| 0.2541377E-14 GRAD(Rho)x 0.2343666E-14 GRAD(Rho)y 0.8973535E-15 GRAD(Rho)z -0.4007283E-15 Laplacian 0.7676711E+00 (-1/4)Del**2(Rho)) -0.1919178E+00 Diamond 0.2426406E+01 Metallicity 0.7035074E+01 Ellipticity 0.3740653E-02 Gb(Abramov) 0.3529711E+00 Vb(Abramov) -0.5140245E+00 Hb(Abramov) -0.1610534E+00 Ex_ueg -0.9631996E-01 Ec_ueg -0.1286501E-01 Delta_ex -0.9048555E-01 Delta_ec 0.1768895E-01 Delta_et -0.2447491E+00 Pxc 0.7486971E+01 Qxc -0.5115372E+01 3,-1 127 3 +1 -2.351825 0.348417 -0.120055 Rho 0.6075661E-02 |GRAD(Rho)| 0.4709824E-17 GRAD(Rho)x -0.3739369E-17 GRAD(Rho)y 0.2862539E-17 GRAD(Rho)z -0.7375323E-19 Laplacian 0.2154367E-01 (-1/4)Del**2(Rho)) -0.5385917E-02 Diamond 0.4309764E-03 Metallicity 0.6470673E+00 Ellipticity -0.1663439E+01 Gb(Abramov) 0.4171453E-02 Vb(Abramov) -0.2956989E-02 Hb(Abramov) 0.1214464E-02 Ex_ueg -0.8187974E-03 Ec_ueg -0.1934926E-03 Delta_ex -0.9538203E-03 Delta_ec 0.3945862E-03 Delta_et -0.2383508E-02 Pxc 0.4231673E+01 Qxc -0.2417267E+01 3,+1 128 3 -1 0.026730 -0.062805 -4.500977 Rho 0.2237645E+00 |GRAD(Rho)| 0.3349860E-15 GRAD(Rho)x -0.2927346E-16 GRAD(Rho)y 0.7982438E-17 GRAD(Rho)z -0.3336090E-15 Laplacian 0.8365794E+00 (-1/4)Del**2(Rho)) -0.2091448E+00 Diamond 0.2716279E+01 Metallicity 0.6793465E+01 Ellipticity 0.2009747E-01 Gb(Abramov) 0.3762329E+00 Vb(Abramov) -0.5433210E+00 Hb(Abramov) -0.1670881E+00 Ex_ueg -0.1003321E+00 Ec_ueg -0.1332402E-01 Delta_ex -0.9923142E-01 Delta_ec 0.1882771E-01 Delta_et -0.2598681E+00 Pxc 0.7530166E+01 Qxc -0.5270500E+01 3,-1 129 3 -1 -0.229349 0.255171 -0.660949 Rho 0.1606835E+00 |GRAD(Rho)| 0.2041120E-12 GRAD(Rho)x -0.2840480E-13 GRAD(Rho)y -0.1308970E-12 GRAD(Rho)z 0.1540157E-12 Laplacian 0.3787610E+00 (-1/4)Del**2(Rho)) -0.9469025E-01 Diamond 0.8556286E+00 Metallicity 0.8640393E+01 Ellipticity 0.4611655E-02 Gb(Abramov) 0.1994870E+00 Vb(Abramov) -0.3042837E+00 Hb(Abramov) -0.1047967E+00 Ex_ueg -0.6451790E-01 Ec_ueg -0.9130884E-02 Delta_ex -0.4157181E-01 Delta_ec 0.9801693E-02 Delta_et -0.1325870E+00 Pxc 0.7065898E+01 Qxc -0.4241288E+01 3,-1 130 3 +1 0.043978 2.076697 -1.696473 Rho 0.2350469E-01 |GRAD(Rho)| 0.6155316E-15 GRAD(Rho)x -0.6027140E-15 GRAD(Rho)y -0.1195119E-15 GRAD(Rho)z 0.3649555E-16 Laplacian 0.9009914E-01 (-1/4)Del**2(Rho)) -0.2252478E-01 Diamond 0.1143896E-01 Metallicity 0.1475084E+01 Ellipticity -0.5211875E+01 Gb(Abramov) 0.2055418E-01 Vb(Abramov) -0.1858358E-01 Hb(Abramov) 0.1970604E-02 Ex_ueg -0.4972686E-02 Ec_ueg -0.1013726E-02 Delta_ex -0.5584704E-02 Delta_ec 0.1658171E-02 Delta_et -0.1438137E-01 Pxc 0.4905355E+01 Qxc -0.3367990E+01 3,+1 131 3 +1 0.236478 2.074004 1.716720 Rho 0.2180203E-01 |GRAD(Rho)| 0.4019233E-16 GRAD(Rho)x -0.1780593E-16 GRAD(Rho)y -0.3540853E-16 GRAD(Rho)z -0.6678970E-17 Laplacian 0.7978224E-01 (-1/4)Del**2(Rho)) -0.1994556E-01 Diamond 0.7810855E-02 Metallicity 0.1469609E+01 Ellipticity -0.2613416E+01 Gb(Abramov) 0.1818240E-01 Vb(Abramov) -0.1641925E-01 Hb(Abramov) 0.1763156E-02 Ex_ueg -0.4498293E-02 Ec_ueg -0.9290900E-03 Delta_ex -0.4676146E-02 Delta_ec 0.1160039E-02 Delta_et -0.9961647E-02 Pxc 0.4841611E+01 Qxc -0.4031025E+01 3,+1 132 3 -1 1.639935 2.759276 -0.848687 Rho 0.1307085E+00 |GRAD(Rho)| 0.6104269E-13 GRAD(Rho)x 0.4244039E-13 GRAD(Rho)y -0.1586499E-13 GRAD(Rho)z 0.4090630E-13 Laplacian 0.5450961E+00 (-1/4)Del**2(Rho)) -0.1362740E+00 Diamond 0.9383782E+00 Metallicity 0.4255788E+01 Ellipticity 0.1721991E-01 Gb(Abramov) 0.1875082E+00 Vb(Abramov) -0.2387425E+00 Hb(Abramov) -0.5123422E-01 Ex_ueg -0.4899183E-01 Ec_ueg -0.7220271E-02 Delta_ex -0.5663335E-01 Delta_ec 0.1434738E-01 Delta_et -0.1871602E+00 Pxc 0.6785317E+01 Qxc -0.3947296E+01 3,-1 133 3 -1 1.688354 2.740239 0.905373 Rho 0.1456436E+00 |GRAD(Rho)| 0.7687899E-12 GRAD(Rho)x 0.1103868E-12 GRAD(Rho)y -0.1154336E-12 GRAD(Rho)z 0.7520158E-12 Laplacian 0.6045335E+00 (-1/4)Del**2(Rho)) -0.1511334E+00 Diamond 0.1182086E+01 Metallicity 0.4595632E+01 Ellipticity 0.9269125E-02 Gb(Abramov) 0.2165145E+00 Vb(Abramov) -0.2818956E+00 Hb(Abramov) -0.6538111E-01 Ex_ueg -0.5659443E-01 Ec_ueg -0.8165229E-02 Delta_ex -0.6444941E-01 Delta_ec 0.1544339E-01 Delta_et -0.2047096E+00 Pxc 0.6931151E+01 Qxc -0.4173269E+01 3,-1 134 3 -1 2.314931 -3.186700 -2.315815 Rho 0.2236879E+00 |GRAD(Rho)| 0.8226773E-15 GRAD(Rho)x 0.5166223E-15 GRAD(Rho)y -0.4935830E-15 GRAD(Rho)z -0.4077684E-15 Laplacian 0.8356612E+00 (-1/4)Del**2(Rho)) -0.2089153E+00 Diamond 0.2712403E+01 Metallicity 0.6797051E+01 Ellipticity 0.1953973E-01 Gb(Abramov) 0.3759449E+00 Vb(Abramov) -0.5429744E+00 Hb(Abramov) -0.1670296E+00 Ex_ueg -0.1002863E+00 Ec_ueg -0.1331880E-01 Delta_ex -0.9911502E-01 Delta_ec 0.1881121E-01 Delta_et -0.2596452E+00 Pxc 0.7529683E+01 Qxc -0.5268934E+01 3,-1 135 3 -1 2.348644 -3.146531 2.313626 Rho 0.2237878E+00 |GRAD(Rho)| 0.2056712E-15 GRAD(Rho)x -0.1373684E-15 GRAD(Rho)y 0.1520594E-15 GRAD(Rho)z -0.1756408E-16 Laplacian 0.8362992E+00 (-1/4)Del**2(Rho)) -0.2090748E+00 Diamond 0.2716274E+01 Metallicity 0.6796921E+01 Ellipticity 0.2024627E-01 Gb(Abramov) 0.3762274E+00 Vb(Abramov) -0.5433799E+00 Hb(Abramov) -0.1671526E+00 Ex_ueg -0.1003461E+00 Ec_ueg -0.1332562E-01 Delta_ex -0.9920416E-01 Delta_ec 0.1882672E-01 Delta_et -0.2598797E+00 Pxc 0.7530313E+01 Qxc -0.5269328E+01 3,-1 136 3 -1 0.428291 -0.705975 -0.004497 Rho 0.1595080E+00 |GRAD(Rho)| 0.6497234E-12 GRAD(Rho)x -0.5184152E-12 GRAD(Rho)y 0.3838041E-12 GRAD(Rho)z 0.7797867E-13 Laplacian 0.3732237E+00 (-1/4)Del**2(Rho)) -0.9330592E-01 Diamond 0.8339433E+00 Metallicity 0.8661931E+01 Ellipticity 0.3924040E-02 Gb(Abramov) 0.1969055E+00 Vb(Abramov) -0.3005051E+00 Hb(Abramov) -0.1035996E+00 Ex_ueg -0.6388932E-01 Ec_ueg -0.9054914E-02 Delta_ex -0.4087380E-01 Delta_ec 0.9646998E-02 Delta_et -0.1302925E+00 Pxc 0.7055763E+01 Qxc -0.4236945E+01 3,-1 137 3 -1 -2.316882 3.217185 -2.236598 Rho 0.2266217E+00 |GRAD(Rho)| 0.1691227E-15 GRAD(Rho)x -0.8922984E-16 GRAD(Rho)y -0.1290201E-16 GRAD(Rho)z -0.1430876E-15 Laplacian 0.8409654E+00 (-1/4)Del**2(Rho)) -0.2102414E+00 Diamond 0.2775244E+01 Metallicity 0.6902466E+01 Ellipticity 0.1407014E-01 Gb(Abramov) 0.3820249E+00 Vb(Abramov) -0.5538084E+00 Hb(Abramov) -0.1717835E+00 Ex_ueg -0.1020439E+00 Ec_ueg -0.1351922E-01 Delta_ex -0.1000961E+00 Delta_ec 0.1888530E-01 Delta_et -0.2609431E+00 Pxc 0.7548065E+01 Qxc -0.5300214E+01 3,-1 138 3 -1 -2.227401 3.316945 2.238957 Rho 0.2315808E+00 |GRAD(Rho)| 0.2774361E-10 GRAD(Rho)x -0.1590679E-10 GRAD(Rho)y 0.2024391E-10 GRAD(Rho)z 0.1033761E-10 Laplacian 0.8527508E+00 (-1/4)Del**2(Rho)) -0.2131877E+00 Diamond 0.2889182E+01 Metallicity 0.7057136E+01 Ellipticity 0.3859264E-02 Gb(Abramov) 0.3928743E+00 Vb(Abramov) -0.5725608E+00 Hb(Abramov) -0.1796865E+00 Ex_ueg -0.1050320E+00 Ec_ueg -0.1385906E-01 Delta_ex -0.1020757E+00 Delta_ec 0.1903791E-01 Delta_et -0.2633479E+00 Pxc 0.7578583E+01 Qxc -0.5361707E+01 3,-1 139 3 -1 -0.030707 -0.065595 4.477566 Rho 0.2234215E+00 |GRAD(Rho)| 0.2243898E-14 GRAD(Rho)x -0.3429874E-15 GRAD(Rho)y 0.1984903E-15 GRAD(Rho)z -0.2208628E-14 Laplacian 0.8373260E+00 (-1/4)Del**2(Rho)) -0.2093315E+00 Diamond 0.2712570E+01 Metallicity 0.6770077E+01 Ellipticity 0.2147253E-01 Gb(Abramov) 0.3757527E+00 Vb(Abramov) -0.5421739E+00 Hb(Abramov) -0.1664212E+00 Ex_ueg -0.1001271E+00 Ec_ueg -0.1330062E-01 Delta_ex -0.9927395E-01 Delta_ec 0.1884110E-01 Delta_et -0.2599850E+00 Pxc 0.7528002E+01 Qxc -0.5269011E+01 3,-1 140 3 -1 0.599125 -0.634580 -3.179339 Rho 0.1373572E+00 |GRAD(Rho)| 0.5135786E-15 GRAD(Rho)x -0.4157915E-15 GRAD(Rho)y 0.2160408E-15 GRAD(Rho)z -0.2102539E-15 Laplacian 0.5687516E+00 (-1/4)Del**2(Rho)) -0.1421879E+00 Diamond 0.1043967E+01 Metallicity 0.4430398E+01 Ellipticity 0.4029703E-02 Gb(Abramov) 0.1997834E+00 Vb(Abramov) -0.2573790E+00 Hb(Abramov) -0.5759553E-01 Ex_ueg -0.5234238E-01 Ec_ueg -0.7639170E-02 Delta_ex -0.5985758E-01 Delta_ec 0.1488706E-01 Delta_et -0.1959226E+00 Pxc 0.6851841E+01 Qxc -0.4020779E+01 3,-1 141 3 -1 0.802147 2.985279 -1.964553 Rho 0.1605970E+00 |GRAD(Rho)| 0.4302203E-14 GRAD(Rho)x 0.2773985E-14 GRAD(Rho)y -0.3245166E-14 GRAD(Rho)z 0.5318350E-15 Laplacian 0.6307023E+00 (-1/4)Del**2(Rho)) -0.1576756E+00 Diamond 0.1388556E+01 Metallicity 0.5184230E+01 Ellipticity 0.3505591E-01 Gb(Abramov) 0.2413548E+00 Vb(Abramov) -0.3250340E+00 Hb(Abramov) -0.8367922E-01 Ex_ueg -0.6447156E-01 Ec_ueg -0.9125287E-02 Delta_ex -0.6889407E-01 Delta_ec 0.1575064E-01 Delta_et -0.2116373E+00 Pxc 0.7065154E+01 Qxc -0.4374048E+01 3,-1 142 3 -1 0.862802 2.971138 1.999239 Rho 0.1163793E+00 |GRAD(Rho)| 0.3311659E-15 GRAD(Rho)x 0.3132938E-15 GRAD(Rho)y -0.1064754E-15 GRAD(Rho)z -0.1344750E-16 Laplacian 0.4642015E+00 (-1/4)Del**2(Rho)) -0.1160504E+00 Diamond 0.6964936E+00 Metallicity 0.4118123E+01 Ellipticity 0.7933821E-02 Gb(Abramov) 0.1570186E+00 Vb(Abramov) -0.1979867E+00 Hb(Abramov) -0.4096817E-01 Ex_ueg -0.4196488E-01 Ec_ueg -0.6327513E-02 Delta_ex -0.4692837E-01 Delta_ec 0.1259327E-01 Delta_et -0.1611103E+00 Pxc 0.6632127E+01 Qxc -0.3726465E+01 3,-1 143 3 -1 -3.073793 1.212583 0.582848 Rho 0.3118716E+00 |GRAD(Rho)| 0.5494422E-14 GRAD(Rho)x -0.4931589E-14 GRAD(Rho)y 0.2403322E-14 GRAD(Rho)z 0.3035571E-15 Laplacian -0.1549492E+01 (-1/4)Del**2(Rho)) 0.3873730E+00 Diamond 0.5327244E+01 Metallicity -0.6378475E+01 Ellipticity 0.5490130E-02 Gb(Abramov) 0.1535595E+00 Vb(Abramov) -0.6944919E+00 Hb(Abramov) -0.5409324E+00 Ex_ueg -0.1562018E+00 Ec_ueg -0.1954910E-01 Delta_ex 0.1524621E+00 Delta_ec 0.5457725E-01 Delta_et -0.1280067E+01 Pxc 0.7990232E+01 Qxc 0.2793510E+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 63 104 112 109 100 115 135 134 76 49 65 68 73 137 96 118 133 113 142 117 59 111 99 91 103 116 83 119 132 114 141 138 48 53 66 72 74 86 80 105 55 93 139 107 123 124 61 125 126 82 140 81 128 94 79 136 52 54 67 129 87 143 46 85 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 15 16 19 23 25 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 23 36 36 36 45 45 27 2.333023 1.946181 1.762806 2.180864 1.969152 1.770035 1.770225 2.408403 1.795134 1.972983 1.943843 2.064103 1.765065 2.594844 1.857713 1.926852 1.873640 2.023591 1.760674 2.334526 1.939866 1.761069 2.205516 1.963204 1.761167 2.569965 1.935309 1.968148 1.867176 1.897607 1.756781 2.440181 1.964578 1.927422 1.927033 1.905017 2.321835 1.762186 1.940989 2.007201 2.139817 1.770648 2.711684 1.962505 2.074372 1.836140 1.848469 1.755988 2.337829 1.946583 1.763965 1.770045 2.146082 1.986730 1.767829 3.203601 3.218759 1.643637 1.764504 1.766058 1.003777 1.734451 3.207870 2.334567 1.946573 1.762835 2.181391 1.969683 1.770049 1.770240 2.409892 1.795259 1.973314 1.944387 2.064576 1.765088 2.596608 1.858141 1.927311 1.874095 2.024040 1.760685 2.336033 1.940252 1.761090 2.205993 1.963744 1.761181 2.571518 1.935814 1.968581 1.867563 1.898060 1.756788 2.441741 1.965536 1.928006 1.927623 1.905529 2.323151 1.762233 1.941365 2.007761 2.140295 1.770662 2.713731 1.963188 2.074971 1.836558 1.849019 1.756024 2.339226 1.946944 1.764009 1.770062 2.146589 1.987267 1.767853 3.257923 3.275534 1.643643 1.764523 1.766084 1.003849 1.738414 3.210571 29 25 24 27 24 23 22 31 26 28 26 30 22 31 22 25 23 25 24 30 26 24 27 27 22 32 25 25 23 24 22 34 27 27 27 28 31 24 26 26 27 23 31 24 25 25 22 24 30 24 24 22 27 26 23 35 35 22 22 25 19 26 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.3311 -0.8775 2.3521 2.4225 2.3279 2.4166 2.4133 -0.8704 -0.8497 2.3499 2.2033 2.3419 -1.0847 -0.9043 -1.0877 -1.0799 -0.8235 -0.9927 -0.8303 -0.9539 -0.8295 -0.9447 -0.8826 -0.9931 -0.9808 -0.8289 -0.9774 -0.8285 -0.9127 -0.8778 -0.9846 -0.9989 -0.9235 -1.0099 -0.9922 2.1892 -0.8772 -0.9898 -1.0112 -0.9975 -0.8764 -0.8089 -0.8689 -0.8683 0.2701 2.1388 1.9502 2.1271 2.0983 2.1392 2.1022 2.1129 1.9522 1.9541 2.1326 2.0042 2.1340 1.9315 1.9548 1.9311 1.9310 1.9538 1.9276 1.8720 1.9297 1.9532 1.9331 1.9509 1.9276 1.9274 1.9532 1.9286 1.9535 1.9475 1.9501 1.9390 1.9367 1.9458 1.9354 1.9387 0.8937 1.9500 1.9361 1.9368 1.9361 1.9503 1.9627 1.9515 1.9531 0.5716 6.1137 4.8969 6.1174 6.0947 6.1141 6.0951 6.1091 4.8864 4.8633 6.1111 6.1084 6.1138 5.1210 4.9170 5.1239 5.1166 4.8375 5.0366 4.9285 4.9979 4.8443 4.9833 4.9001 5.0369 5.0241 4.8438 5.0199 4.8429 4.9375 4.8972 5.0167 5.0320 4.9508 5.0441 5.0249 1.3744 4.8968 5.0230 5.0436 5.0323 4.8955 4.8170 4.8862 4.8833 0.1584 3.3875 0.0305 3.3741 3.3548 3.3899 3.3564 3.3352 0.0318 0.0323 3.3774 3.6841 3.3813 0.0321 0.0325 0.0327 0.0323 0.0322 0.0284 0.0298 0.0263 0.0319 0.0284 0.0316 0.0286 0.0294 0.0319 0.0289 0.0321 0.0277 0.0304 0.0290 0.0301 0.0269 0.0305 0.0287 10.5428 0.0304 0.0307 0.0309 0.0291 0.0305 0.0291 0.0312 0.0319 0.0000 14.0289 0.0000 14.0293 14.0297 14.0289 14.0297 14.0295 0.0000 0.0000 14.0291 0.0000 14.0290 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 W O W W W W W O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H 2.474954 -0.934684 2.478978 2.488564 2.473022 2.493732 2.502278 -0.924023 -0.904063 2.477476 3.153554 2.476591 -1.105987 -0.999209 -1.089414 -1.088990 -0.892357 -0.998046 -0.681544 -1.112933 -0.899059 -1.072486 -0.864116 -0.998564 -0.986364 -0.897475 -0.997016 -0.896241 -1.125149 -0.937022 -0.998848 -0.986734 -1.127597 -0.999222 -1.002577 2.274189 -0.936593 -0.990941 -0.996646 -1.003894 -0.933663 -1.092373 -0.926811 -0.920525 0.027829 1.941201 -0.856380 1.921963 1.924116 1.941759 1.924409 1.943682 -0.847478 -0.814152 1.939205 2.339058 1.936413 -0.750830 -0.848008 -0.719607 -0.719912 -0.799278 -0.719623 -0.845291 -0.842273 -0.812056 -0.850750 -0.781975 -0.722078 -0.736737 -0.808030 -0.741433 -0.806396 -0.931042 -0.863078 -0.847863 -0.804769 -0.931991 -0.825172 -0.847520 1.767504 -0.863088 -0.820316 -0.819908 -0.843453 -0.855827 -0.894810 -0.848362 -0.840839 0.281017 2.030886 -0.829220 2.031143 2.033452 2.029581 2.036049 2.055381 -0.814885 -0.796879 2.021097 2.428588 2.022562 -0.822623 -0.791179 -0.792699 -0.802300 -0.801891 -0.811213 -0.851752 -0.941470 -0.814610 -0.927209 -0.825412 -0.813403 -0.837498 -0.812406 -0.838297 -0.810181 -0.942385 -0.840660 -0.870680 -0.852134 -0.946074 -0.878450 -0.877742 1.724290 -0.841253 -0.856274 -0.891560 -0.867093 -0.828246 -0.865371 -0.823655 -0.806535 0.310210 -20.54012515 -10.22731208 0.72869020 22.95703907 44.59199874 57.88545905 -1.14197710 -0.91396504 1.40545814 -43.67803369 -309.4451 357.2233 -9.3343 -355.2897 -79.7275 -396.5733 Jun10-2024 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:16 Nodes: 1 Procs: 1 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:27 Nodes: 1 Procs: 1 Jun10-2024 15:28:33 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:39 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:56 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:15 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -14.42309027 -14.55108913 -14.56612689 -14.56903744 -14.57038779 -14.57099964 -14.57145806 -14.57217911 -14.57266861 -14.57297190 -14.57330219 -14.57345032 -14.57356330 -14.57365681 -14.57366603 -14.57376363 -14.57379353 -14.57379689 -14.57379992 GEOMETRY CONVERGED