ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.05 3.89 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 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:13 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.08 2.45 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 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 Jun12-2024 13:50:13 Nodes: 1 Procs: 1 Jun12-2024 13:50:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.08 3.85 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 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 Jun12-2024 13:50:13 Nodes: 1 Procs: 1 Jun12-2024 13:50:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 13:50:19 Nodes: 1 Procs: 1 Jun12-2024 13:50:24 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:28 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 2.51 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 Jun12-2024 13:50:13 Nodes: 1 Procs: 1 Jun12-2024 13:50:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 13:50:19 Nodes: 1 Procs: 1 Jun12-2024 13:50:24 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:50:28 Nodes: 1 Procs: 1 Jun12-2024 13:50:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:34 Hydrogen (TZP) c2-55 c2-55 c2-55 c2-55 c2-55 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 3.78 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 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 Jun12-2024 13:50:13 Nodes: 1 Procs: 1 Jun12-2024 13:50:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 13:50:19 Nodes: 1 Procs: 1 Jun12-2024 13:50:24 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:50:28 Nodes: 1 Procs: 1 Jun12-2024 13:50:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 13:50:34 Nodes: 1 Procs: 1 Jun12-2024 13:50:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:50:43 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2217.7775999999985 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232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 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 -8.020 -8.013 -7.920 -7.844 -7.833 -7.814 -7.803 -7.768 -7.529 -7.521 -5.366 -5.288 -5.001 -4.921 -4.881 -4.853 -4.841 -4.785 -4.759 -4.535 A A A A A A A A A A A A A A A A A A A A 0.00000000085171 0.00041259381747 0.00022332279309 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 74 74 74 74 42 42 42 42 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 33 1 1 0.127693 -2.541585 2.582402 -0.064480 -2.558337 -2.526902 -2.547100 0.085752 2.548468 2.577535 -0.097745 2.568322 0.070824 2.602167 -2.531685 -0.091661 2.544890 2.580849 2.550613 -2.507381 0.108019 2.551567 2.576861 -0.091579 -2.569504 2.529973 0.120098 -2.533057 -2.568163 -0.094899 -2.504368 -0.168418 -2.608767 2.549875 0.212882 -2.620732 1.002176 -0.968627 0.960824 -0.943030 -0.994329 -0.992991 0.987428 1.001486 -0.991097 -0.984516 0.972429 0.954359 -3.003646 -1.121694 1.142392 2.999511 -1.214390 -1.083102 -2.931017 1.211302 -1.134554 2.996376 1.148519 1.177137 1.186246 -1.177410 -2.934060 1.167708 1.185749 3.020519 -1.107282 1.146781 -2.989362 -1.160119 -1.135078 3.012749 -1.135578 3.052476 -1.147299 -1.155305 -2.980292 1.183253 1.155709 3.015547 1.138103 1.132548 -3.036339 -1.065169 3.400536 -1.530402 1.557225 -3.386801 -1.470300 -1.524100 3.440821 1.462804 -1.495902 -3.408522 1.539384 1.494422 1.490521 -1.469059 3.434023 1.550045 1.525467 -3.473155 -1.533740 1.545672 3.382989 -1.476875 -1.546049 -3.449122 -1.520687 -3.399693 -1.523974 -1.522782 3.387986 1.436039 1.519425 -3.371681 1.535632 1.575005 3.395559 -1.561833 -0.182480 -3.739732 3.771541 0.286824 -3.774181 -3.689134 -0.239307 3.774816 -3.733714 0.181877 3.780795 3.724022 3.848612 -3.793085 -0.239195 3.759011 3.744462 0.217539 -3.826445 3.846364 -0.240361 -3.742250 -3.732536 0.212298 -3.701621 0.211671 -3.763678 -3.759668 -0.200527 3.730831 3.774340 0.211760 3.760046 3.767948 -0.202220 -3.744345 0.016069 0.012092 -0.029710 -4.463791 3.738559 -0.983828 3.828789 -4.636752 0.270447 1 3 -3 0.127693 -2.541585 2.582402 Rho 0.4361414E+07 3,-3 2 3 -3 -0.064480 -2.558337 -2.526902 Rho 0.4361413E+07 3,-3 3 3 -3 -2.547100 0.085752 2.548468 Rho 0.4361413E+07 3,-3 4 3 -3 2.577535 -0.097745 2.568322 Rho 0.4361413E+07 3,-3 5 3 -3 0.070824 2.602167 -2.531685 Rho 0.1240647E+06 3,-3 6 3 -3 -0.091661 2.544890 2.580849 Rho 0.1240647E+06 3,-3 7 3 -3 2.550613 -2.507381 0.108019 Rho 0.1240648E+06 3,-3 8 3 -3 2.551567 2.576861 -0.091579 Rho 0.1240647E+06 3,-3 9 3 -3 -2.569504 2.529973 0.120098 Rho 0.1240648E+06 3,-3 10 3 -3 -2.533057 -2.568163 -0.094899 Rho 0.1240647E+06 3,-3 11 3 -3 -2.504368 -0.168418 -2.608767 Rho 0.1240647E+06 3,-3 12 3 -3 2.549875 0.212882 -2.620732 Rho 0.1240647E+06 3,-3 13 3 -3 1.002176 -0.968627 0.960824 Rho 0.3190313E+03 3,-3 14 3 -3 -0.943030 -0.994329 -0.992991 Rho 0.3190242E+03 3,-3 15 3 -3 0.987428 1.001486 -0.991097 Rho 0.3190430E+03 3,-3 16 3 -3 -0.984516 0.972429 0.954359 Rho 0.3190413E+03 3,-3 17 3 -3 -3.003646 -1.121694 1.142392 Rho 0.3189532E+03 3,-3 18 3 -3 2.999511 -1.214390 -1.083102 Rho 0.3191968E+03 3,-3 19 3 -3 -2.931017 1.211302 -1.134554 Rho 0.3191190E+03 3,-3 20 3 -3 2.996376 1.148519 1.177137 Rho 0.3189550E+03 3,-3 21 3 -3 1.186246 -1.177410 -2.934060 Rho 0.3189385E+03 3,-3 22 3 -3 1.167708 1.185749 3.020519 Rho 0.3189696E+03 3,-3 23 3 -3 -1.107282 1.146781 -2.989362 Rho 0.3190272E+03 3,-3 24 3 -3 -1.160119 -1.135078 3.012749 Rho 0.3188858E+03 3,-3 25 3 -3 -1.135578 3.052476 -1.147299 Rho 0.3190751E+03 3,-3 26 3 -3 -1.155305 -2.980292 1.183253 Rho 0.3189544E+03 3,-3 27 3 -3 1.155709 3.015547 1.138103 Rho 0.3190343E+03 3,-3 28 3 -3 1.132548 -3.036339 -1.065169 Rho 0.3189912E+03 3,-3 29 3 -3 3.400536 -1.530402 1.557225 Rho 0.3190840E+03 3,-3 30 3 -3 -3.386801 -1.470300 -1.524100 Rho 0.3191516E+03 3,-3 31 3 -3 3.440821 1.462804 -1.495902 Rho 0.3191487E+03 3,-3 32 3 -3 -3.408522 1.539384 1.494422 Rho 0.3191092E+03 3,-3 33 3 -3 1.490521 -1.469059 3.434023 Rho 0.3189957E+03 3,-3 34 3 -3 1.550045 1.525467 -3.473155 Rho 0.3191816E+03 3,-3 35 3 -3 -1.533740 1.545672 3.382989 Rho 0.3190779E+03 3,-3 36 3 -3 -1.476875 -1.546049 -3.449122 Rho 0.3190887E+03 3,-3 37 3 -3 -1.520687 -3.399693 -1.523974 Rho 0.3190843E+03 3,-3 38 3 -3 -1.522782 3.387986 1.436039 Rho 0.3191879E+03 3,-3 39 3 -3 1.519425 -3.371681 1.535632 Rho 0.3190909E+03 3,-3 40 3 -3 1.575005 3.395559 -1.561833 Rho 0.3191455E+03 3,-3 41 3 -3 -0.182480 -3.739732 3.771541 Rho 0.3194603E+03 3,-3 42 3 -3 0.286824 -3.774181 -3.689134 Rho 0.3194572E+03 3,-3 43 3 -3 -0.239307 3.774816 -3.733714 Rho 0.3196046E+03 3,-3 44 3 -3 0.181877 3.780795 3.724022 Rho 0.3196130E+03 3,-3 45 3 -3 3.848612 -3.793085 -0.239195 Rho 0.3188419E+03 3,-3 46 3 -3 3.759011 3.744462 0.217539 Rho 0.3195988E+03 3,-3 47 3 -3 -3.826445 3.846364 -0.240361 Rho 0.3188349E+03 3,-3 48 3 -3 -3.742250 -3.732536 0.212298 Rho 0.3196022E+03 3,-3 49 3 -3 -3.701621 0.211671 -3.763678 Rho 0.3196114E+03 3,-3 50 3 -3 -3.759668 -0.200527 3.730831 Rho 0.3194560E+03 3,-3 51 3 -3 3.774340 0.211760 3.760046 Rho 0.3194567E+03 3,-3 52 3 -3 3.767948 -0.202220 -3.744345 Rho 0.3196024E+03 3,-3 53 3 -3 0.016069 0.012092 -0.029710 Rho 0.4276080E+05 3,-3 54 3 -3 -4.463791 3.738559 -0.983828 Rho 0.4422330E+00 3,-3 55 3 -3 3.828789 -4.636752 0.270447 Rho 0.4417527E+00 3,-3 56 3 +1 -0.519403 0.520107 -1.665841 Rho 0.9348545E-02 |GRAD(Rho)| 0.1215709E-13 GRAD(Rho)x 0.3152592E-14 GRAD(Rho)y 0.1077424E-13 GRAD(Rho)z -0.4666022E-14 Laplacian 0.3602186E-01 (-1/4)Del**2(Rho)) -0.9005464E-02 Diamond 0.1098351E-02 Metallicity 0.7936343E+00 Ellipticity -0.1518721E+01 Gb(Abramov) 0.7194817E-02 Vb(Abramov) -0.5384170E-02 Hb(Abramov) 0.1810647E-02 Ex_ueg -0.1454489E-02 Ec_ueg -0.3385953E-03 Delta_ex -0.1688211E-02 Delta_ec 0.5199562E-03 Delta_et -0.3620417E-02 Pxc 0.4295656E+01 Qxc -0.3246833E+01 3,+1 57 3 -1 -1.745166 1.726549 0.527150 Rho 0.4645620E-01 |GRAD(Rho)| 0.3604223E-13 GRAD(Rho)x 0.1900410E-13 GRAD(Rho)y -0.2901779E-13 GRAD(Rho)z 0.9790523E-14 Laplacian 0.1921740E+00 (-1/4)Del**2(Rho)) -0.4804349E-01 Diamond 0.8665438E-01 Metallicity 0.2152739E+01 Ellipticity 0.2360380E-01 Gb(Abramov) 0.4926651E-01 Vb(Abramov) -0.5048953E-01 Hb(Abramov) -0.1223019E-02 Ex_ueg -0.1233417E-01 Ec_ueg -0.2219943E-02 Delta_ex -0.1545774E-01 Delta_ec 0.5601928E-02 Delta_et -0.5791331E-01 Pxc 0.5556076E+01 Qxc -0.2759361E+01 3,-1 58 3 -1 -3.244706 3.205444 -0.095140 Rho 0.1666398E+00 |GRAD(Rho)| 0.1457838E-13 GRAD(Rho)x -0.8300110E-15 GRAD(Rho)y 0.1098798E-13 GRAD(Rho)z -0.9544869E-14 Laplacian 0.6302498E+00 (-1/4)Del**2(Rho)) -0.1575625E+00 Diamond 0.1460828E+01 Metallicity 0.5517363E+01 Ellipticity 0.1257527E+00 Gb(Abramov) 0.2499298E+00 Vb(Abramov) -0.3422972E+00 Hb(Abramov) -0.9236739E-01 Ex_ueg -0.6772619E-01 Ec_ueg -0.9517074E-02 Delta_ex -0.6956908E-01 Delta_ec 0.1575156E-01 Delta_et -0.2130485E+00 Pxc 0.7116283E+01 Qxc -0.4416647E+01 3,-1 59 3 -1 -3.180812 -3.191665 0.068716 Rho 0.2467203E+00 |GRAD(Rho)| 0.3749067E-15 GRAD(Rho)x 0.4423545E-16 GRAD(Rho)y 0.3704177E-15 GRAD(Rho)z -0.3726945E-16 Laplacian 0.8750333E+00 (-1/4)Del**2(Rho)) -0.2187583E+00 Diamond 0.3218632E+01 Metallicity 0.7642993E+01 Ellipticity 0.9498150E-03 Gb(Abramov) 0.4245003E+00 Vb(Abramov) -0.6302422E+00 Hb(Abramov) -0.2057420E+00 Ex_ueg -0.1142856E+00 Ec_ueg -0.1490491E-01 Delta_ex -0.1065872E+00 Delta_ec 0.1934812E-01 Delta_et -0.2690369E+00 Pxc 0.7667652E+01 Qxc -0.5508919E+01 3,-1 60 3 -1 -2.774299 -0.558345 1.794451 Rho 0.1513626E+00 |GRAD(Rho)| 0.1244547E-15 GRAD(Rho)x 0.3648340E-16 GRAD(Rho)y 0.4564491E-16 GRAD(Rho)z -0.1098839E-15 Laplacian 0.6353163E+00 (-1/4)Del**2(Rho)) -0.1588291E+00 Diamond 0.1298464E+01 Metallicity 0.4662878E+01 Ellipticity 0.9991638E-02 Gb(Abramov) 0.2293195E+00 Vb(Abramov) -0.2998099E+00 Hb(Abramov) -0.7049040E-01 Ex_ueg -0.5957670E-01 Ec_ueg -0.8530796E-02 Delta_ex -0.6834874E-01 Delta_ec 0.1602937E-01 Delta_et -0.2135238E+00 Pxc 0.6983721E+01 Qxc -0.4263969E+01 3,-1 61 3 +3 -1.088784 -1.097607 1.102039 Rho 0.5116265E-02 |GRAD(Rho)| 0.1692538E-11 GRAD(Rho)x -0.5528003E-13 GRAD(Rho)y -0.2184892E-13 GRAD(Rho)z 0.1691494E-11 Laplacian 0.1985753E-01 (-1/4)Del**2(Rho)) -0.4964382E-02 Diamond 0.1440895E-03 Metallicity 0.5271607E+00 Ellipticity -0.1373574E+00 Gb(Abramov) 0.3745759E-02 Vb(Abramov) -0.2527136E-02 Hb(Abramov) 0.1218623E-02 Ex_ueg -0.6511121E-03 Ec_ueg -0.1519196E-03 Delta_ex -0.6913425E-03 Delta_ec 0.8905078E-04 Delta_et -0.7032114E-03 Pxc 0.4285900E+01 Qxc -0.7763464E+01 3,+3 62 3 -1 -2.960887 -1.976421 -0.845481 Rho 0.1191057E+00 |GRAD(Rho)| 0.5170168E-15 GRAD(Rho)x -0.6669876E-16 GRAD(Rho)y 0.5126243E-15 GRAD(Rho)z -0.8599078E-17 Laplacian 0.4599392E+00 (-1/4)Del**2(Rho)) -0.1149848E+00 Diamond 0.7054037E+00 Metallicity 0.4319833E+01 Ellipticity 0.2920740E-01 Gb(Abramov) 0.1594424E+00 Vb(Abramov) -0.2039000E+00 Hb(Abramov) -0.4445760E-01 Ex_ueg -0.4328079E-01 Ec_ueg -0.6496288E-02 Delta_ex -0.4669724E-01 Delta_ec 0.1230966E-01 Delta_et -0.1579691E+00 Pxc 0.6662388E+01 Qxc -0.3793543E+01 3,-1 63 3 +1 -2.175255 1.116802 1.323610 Rho 0.2848715E-01 |GRAD(Rho)| 0.1609789E-12 GRAD(Rho)x 0.1440147E-12 GRAD(Rho)y 0.5330175E-13 GRAD(Rho)z -0.4829999E-13 Laplacian 0.1151572E+00 (-1/4)Del**2(Rho)) -0.2878929E-01 Diamond 0.1839322E-01 Metallicity 0.1590024E+01 Ellipticity -0.4408563E+01 Gb(Abramov) 0.2682214E-01 Vb(Abramov) -0.2485499E-01 Hb(Abramov) 0.1967152E-02 Ex_ueg -0.6425649E-02 Ec_ueg -0.1265840E-02 Delta_ex -0.7450676E-02 Delta_ec 0.2013485E-02 Delta_et -0.1833592E-01 Pxc 0.5076195E+01 Qxc -0.3700387E+01 3,+1 64 3 -1 -2.987217 0.855871 1.980572 Rho 0.1254749E+00 |GRAD(Rho)| 0.4028519E-13 GRAD(Rho)x 0.1335993E-13 GRAD(Rho)y -0.2747740E-13 GRAD(Rho)z 0.2625646E-13 Laplacian 0.5023413E+00 (-1/4)Del**2(Rho)) -0.1255853E+00 Diamond 0.8290255E+00 Metallicity 0.4313956E+01 Ellipticity 0.3837609E-01 Gb(Abramov) 0.1740185E+00 Vb(Abramov) -0.2224517E+00 Hb(Abramov) -0.4843316E-01 Ex_ueg -0.4639390E-01 Ec_ueg -0.6892576E-02 Delta_ex -0.5175296E-01 Delta_ec 0.1347940E-01 Delta_et -0.1748799E+00 Pxc 0.6730996E+01 Qxc -0.3839411E+01 3,-1 65 3 -1 -2.763387 -1.801094 0.556806 Rho 0.1247024E+00 |GRAD(Rho)| 0.3142560E-15 GRAD(Rho)x 0.1398621E-15 GRAD(Rho)y -0.1989918E-15 GRAD(Rho)z -0.1989918E-15 Laplacian 0.5244231E+00 (-1/4)Del**2(Rho)) -0.1311058E+00 Diamond 0.8426503E+00 Metallicity 0.4089996E+01 Ellipticity 0.3238358E-02 Gb(Abramov) 0.1767742E+00 Vb(Abramov) -0.2224426E+00 Hb(Abramov) -0.4566842E-01 Ex_ueg -0.4601346E-01 Ec_ueg -0.6844364E-02 Delta_ex -0.5373896E-01 Delta_ec 0.1371885E-01 Delta_et -0.1771543E+00 Pxc 0.6722825E+01 Qxc -0.3917164E+01 3,-1 66 3 +1 -2.875934 -0.170619 -0.221698 Rho 0.5061323E-02 |GRAD(Rho)| 0.3307163E-14 GRAD(Rho)x -0.1998547E-15 GRAD(Rho)y -0.1598896E-14 GRAD(Rho)z -0.2888065E-14 Laplacian 0.2131052E-01 (-1/4)Del**2(Rho)) -0.5327629E-02 Diamond 0.4458097E-03 Metallicity 0.4824577E+00 Ellipticity -0.1818569E+01 Gb(Abramov) 0.3980145E-02 Vb(Abramov) -0.2632662E-02 Hb(Abramov) 0.1347484E-02 Ex_ueg -0.6418060E-03 Ec_ueg -0.1495527E-03 Delta_ex -0.1007800E-02 Delta_ec 0.5742210E-03 Delta_et -0.3169033E-02 Pxc 0.4291503E+01 Qxc -0.1755073E+01 3,+1 67 3 -1 -2.950943 -0.855964 -2.020627 Rho 0.1461558E+00 |GRAD(Rho)| 0.7542755E-13 GRAD(Rho)x 0.6940985E-13 GRAD(Rho)y 0.2892624E-13 GRAD(Rho)z 0.5904308E-14 Laplacian 0.5717074E+00 (-1/4)Del**2(Rho)) -0.1429268E+00 Diamond 0.1111580E+01 Metallicity 0.4888020E+01 Ellipticity 0.6489477E-01 Gb(Abramov) 0.2117228E+00 Vb(Abramov) -0.2805187E+00 Hb(Abramov) -0.6879593E-01 Ex_ueg -0.5685997E-01 Ec_ueg -0.8197888E-02 Delta_ex -0.6088837E-01 Delta_ec 0.1438886E-01 Delta_et -0.1903759E+00 Pxc 0.6935929E+01 Qxc -0.4231632E+01 3,-1 68 3 +3 -2.326699 -0.050646 -0.087398 Rho 0.4586240E-02 |GRAD(Rho)| 0.6560013E-17 GRAD(Rho)x 0.4212109E-18 GRAD(Rho)y -0.5629302E-17 GRAD(Rho)z 0.3341753E-17 Laplacian 0.1900546E-01 (-1/4)Del**2(Rho)) -0.4751366E-02 Diamond 0.1810116E-03 Metallicity 0.4590175E+00 Ellipticity -0.4958041E+00 Gb(Abramov) 0.3531070E-02 Vb(Abramov) -0.2310775E-02 Hb(Abramov) 0.1220295E-02 Ex_ueg -0.5627654E-03 Ec_ueg -0.1291507E-03 Delta_ex -0.7068440E-03 Delta_ec 0.2010807E-03 Delta_et -0.1226094E-02 Pxc 0.4357432E+01 Qxc -0.3515226E+01 3,+3 69 3 +1 -1.276675 -1.166323 -2.195533 Rho 0.2805160E-01 |GRAD(Rho)| 0.7185479E-16 GRAD(Rho)x 0.5629411E-17 GRAD(Rho)y -0.1218837E-16 GRAD(Rho)z -0.7058941E-16 Laplacian 0.1133311E+00 (-1/4)Del**2(Rho)) -0.2833277E-01 Diamond 0.1802506E-01 Metallicity 0.1574684E+01 Ellipticity -0.4941756E+01 Gb(Abramov) 0.2632437E-01 Vb(Abramov) -0.2431598E-01 Hb(Abramov) 0.2008396E-02 Ex_ueg -0.6294992E-02 Ec_ueg -0.1243551E-02 Delta_ex -0.7330586E-02 Delta_ec 0.2032032E-02 Delta_et -0.1842878E-01 Pxc 0.5062109E+01 Qxc -0.3607515E+01 3,+1 70 3 +1 -1.657274 -0.548820 0.488397 Rho 0.8774991E-02 |GRAD(Rho)| 0.2030645E-13 GRAD(Rho)x -0.9123099E-14 GRAD(Rho)y -0.1791925E-13 GRAD(Rho)z -0.2832223E-14 Laplacian 0.3417446E-01 (-1/4)Del**2(Rho)) -0.8543615E-02 Diamond 0.9435304E-03 Metallicity 0.7527591E+00 Ellipticity -0.1460651E+01 Gb(Abramov) 0.6767624E-02 Vb(Abramov) -0.4991633E-02 Hb(Abramov) 0.1775991E-02 Ex_ueg -0.1336741E-02 Ec_ueg -0.3128165E-03 Delta_ex -0.1570755E-02 Delta_ec 0.4836462E-03 Delta_et -0.3320631E-02 Pxc 0.4273244E+01 Qxc -0.3247735E+01 3,+1 71 3 -1 -3.145515 0.034874 -3.226806 Rho 0.2466485E+00 |GRAD(Rho)| 0.3248827E-15 GRAD(Rho)x -0.3236886E-15 GRAD(Rho)y 0.2537033E-16 GRAD(Rho)z 0.1143833E-16 Laplacian 0.8810934E+00 (-1/4)Del**2(Rho)) -0.2202733E+00 Diamond 0.3233889E+01 Metallicity 0.7586744E+01 Ellipticity 0.4920782E-02 Gb(Abramov) 0.4253751E+00 Vb(Abramov) -0.6304769E+00 Hb(Abramov) -0.2051018E+00 Ex_ueg -0.1142413E+00 Ec_ueg -0.1489992E-01 Delta_ex -0.1072870E+00 Delta_ec 0.1942977E-01 Delta_et -0.2699250E+00 Pxc 0.7667243E+01 Qxc -0.5521783E+01 3,-1 72 3 -1 -2.709488 0.551571 -1.831808 Rho 0.9719778E-01 |GRAD(Rho)| 0.6759549E-14 GRAD(Rho)x 0.5735828E-15 GRAD(Rho)y -0.4451260E-14 GRAD(Rho)z -0.5054581E-14 Laplacian 0.3989112E+00 (-1/4)Del**2(Rho)) -0.9972779E-01 Diamond 0.4794292E+00 Metallicity 0.3549476E+01 Ellipticity 0.2131352E-01 Gb(Abramov) 0.1254821E+00 Vb(Abramov) -0.1512364E+00 Hb(Abramov) -0.2575430E-01 Ex_ueg -0.3300605E-01 Ec_ueg -0.5155618E-02 Delta_ex -0.3861940E-01 Delta_ec 0.1119394E-01 Delta_et -0.1382629E+00 Pxc 0.6401957E+01 Qxc -0.3450028E+01 3,-1 73 3 +1 -1.748592 -1.721456 1.743502 Rho 0.1227014E-01 |GRAD(Rho)| 0.2322718E-16 GRAD(Rho)x -0.1874649E-17 GRAD(Rho)y -0.1425096E-16 GRAD(Rho)z -0.1824548E-16 Laplacian 0.6217788E-01 (-1/4)Del**2(Rho)) -0.1554447E-01 Diamond 0.2575090E-02 Metallicity 0.7234248E+00 Ellipticity -0.1252722E+01 Gb(Abramov) 0.1223719E-01 Vb(Abramov) -0.8929909E-02 Hb(Abramov) 0.3307281E-02 Ex_ueg -0.2090185E-02 Ec_ueg -0.4720542E-03 Delta_ex -0.3076117E-02 Delta_ec 0.8102529E-03 Delta_et -0.6106265E-02 Pxc 0.4427849E+01 Qxc -0.3796490E+01 3,+1 74 3 -1 -3.204382 -0.068825 3.189253 Rho 0.2573557E+00 |GRAD(Rho)| 0.5178524E-15 GRAD(Rho)x -0.3102987E-15 GRAD(Rho)y -0.9180482E-16 GRAD(Rho)z 0.4042990E-15 Laplacian 0.9323309E+00 (-1/4)Del**2(Rho)) -0.2330827E+00 Diamond 0.3574281E+01 Metallicity 0.7696015E+01 Ellipticity 0.2575082E-02 Gb(Abramov) 0.4543565E+00 Vb(Abramov) -0.6756303E+00 Hb(Abramov) -0.2212738E+00 Ex_ueg -0.1209010E+00 Ec_ueg -0.1564710E-01 Delta_ex -0.1146663E+00 Delta_ec 0.2006034E-01 Delta_et -0.2778310E+00 Pxc 0.7726736E+01 Qxc -0.5716068E+01 3,-1 75 3 +1 0.546080 0.552041 1.660246 Rho 0.8194925E-02 |GRAD(Rho)| 0.1344320E-15 GRAD(Rho)x -0.4799693E-16 GRAD(Rho)y 0.1019271E-15 GRAD(Rho)z 0.7334256E-16 Laplacian 0.3147400E-01 (-1/4)Del**2(Rho)) -0.7868501E-02 Diamond 0.7976326E-03 Metallicity 0.7292943E+00 Ellipticity -0.1455664E+01 Gb(Abramov) 0.6202076E-02 Vb(Abramov) -0.4535651E-02 Hb(Abramov) 0.1666425E-02 Ex_ueg -0.1220239E-02 Ec_ueg -0.2868926E-03 Delta_ex -0.1424731E-02 Delta_ec 0.4505539E-03 Delta_et -0.3035173E-02 Pxc 0.4253298E+01 Qxc -0.3162177E+01 3,+1 76 3 +1 -1.692921 1.773190 -1.747754 Rho 0.1216885E-01 |GRAD(Rho)| 0.9310108E-17 GRAD(Rho)x -0.8148693E-17 GRAD(Rho)y -0.2900901E-17 GRAD(Rho)z 0.3444080E-17 Laplacian 0.6100382E-01 (-1/4)Del**2(Rho)) -0.1525096E-01 Diamond 0.2503153E-02 Metallicity 0.7272300E+00 Ellipticity -0.1264868E+01 Gb(Abramov) 0.1201580E-01 Vb(Abramov) -0.8780636E-02 Hb(Abramov) 0.3235160E-02 Ex_ueg -0.2067208E-02 Ec_ueg -0.4673691E-03 Delta_ex -0.3012925E-02 Delta_ec 0.7976138E-03 Delta_et -0.5996822E-02 Pxc 0.4423074E+01 Qxc -0.3777423E+01 3,+1 77 3 +1 -1.633086 0.506825 -0.595953 Rho 0.8885887E-02 |GRAD(Rho)| 0.3833804E-13 GRAD(Rho)x 0.1468414E-13 GRAD(Rho)y 0.1125318E-13 GRAD(Rho)z 0.3357897E-13 Laplacian 0.3528849E-01 (-1/4)Del**2(Rho)) -0.8822123E-02 Diamond 0.1038045E-02 Metallicity 0.7444143E+00 Ellipticity -0.1496998E+01 Gb(Abramov) 0.6975968E-02 Vb(Abramov) -0.5129812E-02 Hb(Abramov) 0.1846155E-02 Ex_ueg -0.1359313E-02 Ec_ueg -0.3177896E-03 Delta_ex -0.1647376E-02 Delta_ec 0.5355579E-03 Delta_et -0.3660038E-02 Pxc 0.4277399E+01 Qxc -0.3076000E+01 3,+1 78 3 -1 -2.738534 1.823675 -0.545683 Rho 0.1627834E+00 |GRAD(Rho)| 0.6022171E-15 GRAD(Rho)x -0.1703756E-15 GRAD(Rho)y -0.4543349E-15 GRAD(Rho)z -0.3566754E-15 Laplacian 0.6854039E+00 (-1/4)Del**2(Rho)) -0.1713510E+00 Diamond 0.1491533E+01 Metallicity 0.4879218E+01 Ellipticity 0.1927895E-01 Gb(Abramov) 0.2535771E+00 Vb(Abramov) -0.3358033E+00 Hb(Abramov) -0.8222615E-01 Ex_ueg -0.6564455E-01 Ec_ueg -0.9266797E-02 Delta_ex -0.7474445E-01 Delta_ec 0.1638568E-01 Delta_et -0.2188041E+00 Pxc 0.7083844E+01 Qxc -0.4561572E+01 3,-1 79 3 +1 -0.178582 2.942863 0.181043 Rho 0.5375976E-02 |GRAD(Rho)| 0.3674371E-14 GRAD(Rho)x -0.2669297E-14 GRAD(Rho)y 0.3660333E-15 GRAD(Rho)z 0.2498374E-14 Laplacian 0.2252817E-01 (-1/4)Del**2(Rho)) -0.5632042E-02 Diamond 0.5340800E-03 Metallicity 0.5046414E+00 Ellipticity -0.2135791E+01 Gb(Abramov) 0.4228388E-02 Vb(Abramov) -0.2824734E-02 Hb(Abramov) 0.1403654E-02 Ex_ueg -0.6955497E-03 Ec_ueg -0.1631283E-03 Delta_ex -0.1097946E-02 Delta_ec 0.6415548E-03 Delta_et -0.3588007E-02 Pxc 0.4263820E+01 Qxc -0.1711382E+01 3,+1 80 3 +1 1.670684 0.555543 0.514405 Rho 0.8921459E-02 |GRAD(Rho)| 0.6330837E-17 GRAD(Rho)x -0.2706932E-17 GRAD(Rho)y -0.4758307E-17 GRAD(Rho)z 0.3179705E-17 Laplacian 0.3456197E-01 (-1/4)Del**2(Rho)) -0.8640493E-02 Diamond 0.9811366E-03 Metallicity 0.7651403E+00 Ellipticity -0.1480412E+01 Gb(Abramov) 0.6862193E-02 Vb(Abramov) -0.5083894E-02 Hb(Abramov) 0.1778299E-02 Ex_ueg -0.1366573E-02 Ec_ueg -0.3193859E-03 Delta_ex -0.1597448E-02 Delta_ec 0.4930584E-03 Delta_et -0.3396551E-02 Pxc 0.4278752E+01 Qxc -0.3239875E+01 3,+1 81 3 +1 -0.533417 1.694830 -0.541261 Rho 0.8558296E-02 |GRAD(Rho)| 0.4063224E-17 GRAD(Rho)x 0.3040453E-17 GRAD(Rho)y -0.2511135E-17 GRAD(Rho)z -0.9796118E-18 Laplacian 0.3330773E-01 (-1/4)Del**2(Rho)) -0.8326933E-02 Diamond 0.8932502E-03 Metallicity 0.7408215E+00 Ellipticity -0.1455959E+01 Gb(Abramov) 0.6579417E-02 Vb(Abramov) -0.4831901E-02 Hb(Abramov) 0.1747516E-02 Ex_ueg -0.1292909E-02 Ec_ueg -0.3031146E-03 Delta_ex -0.1523284E-02 Delta_ec 0.4749920E-03 Delta_et -0.3237369E-02 Pxc 0.4265415E+01 Qxc -0.3206967E+01 3,+1 82 3 -1 -1.985463 -2.985726 -0.849574 Rho 0.1360618E+00 |GRAD(Rho)| 0.1338616E-11 GRAD(Rho)x 0.7176064E-12 GRAD(Rho)y -0.5455662E-12 GRAD(Rho)z -0.9895922E-12 Laplacian 0.5343862E+00 (-1/4)Del**2(Rho)) -0.1335965E+00 Diamond 0.9567106E+00 Metallicity 0.4641429E+01 Ellipticity 0.5013964E-01 Gb(Abramov) 0.1924108E+00 Vb(Abramov) -0.2512251E+00 Hb(Abramov) -0.5881430E-01 Ex_ueg -0.5168527E-01 Ec_ueg -0.7557331E-02 Delta_ex -0.5596355E-01 Delta_ec 0.1375470E-01 Delta_et -0.1802278E+00 Pxc 0.6839090E+01 Qxc -0.4068685E+01 3,-1 83 3 -1 -1.801892 -2.767584 0.580550 Rho 0.1365235E+00 |GRAD(Rho)| 0.3032742E-15 GRAD(Rho)x -0.3017606E-15 GRAD(Rho)y 0.2213128E-16 GRAD(Rho)z -0.2064050E-16 Laplacian 0.5764122E+00 (-1/4)Del**2(Rho)) -0.1441031E+00 Diamond 0.1028556E+01 Metallicity 0.4327387E+01 Ellipticity 0.1441276E-01 Gb(Abramov) 0.2000003E+00 Vb(Abramov) -0.2558976E+00 Hb(Abramov) -0.5589727E-01 Ex_ueg -0.5191924E-01 Ec_ueg -0.7586489E-02 Delta_ex -0.6032862E-01 Delta_ec 0.1467094E-01 Delta_et -0.1920223E+00 Pxc 0.6843646E+01 Qxc -0.4112116E+01 3,-1 84 3 +1 -0.246588 -2.898559 -0.188042 Rho 0.5647043E-02 |GRAD(Rho)| 0.9730733E-17 GRAD(Rho)x -0.7871365E-17 GRAD(Rho)y -0.2815521E-17 GRAD(Rho)z -0.4980122E-17 Laplacian 0.2395658E-01 (-1/4)Del**2(Rho)) -0.5989144E-02 Diamond 0.5693458E-03 Metallicity 0.5150984E+00 Ellipticity -0.1859343E+01 Gb(Abramov) 0.4506929E-02 Vb(Abramov) -0.3024714E-02 Hb(Abramov) 0.1482215E-02 Ex_ueg -0.7426995E-03 Ec_ueg -0.1748631E-03 Delta_ex -0.1149661E-02 Delta_ec 0.6294033E-03 Delta_et -0.3595009E-02 Pxc 0.4247320E+01 Qxc -0.1826588E+01 3,+1 85 3 -1 -1.703483 -1.746480 -0.535751 Rho 0.4289723E-01 |GRAD(Rho)| 0.7878347E-16 GRAD(Rho)x 0.4593079E-16 GRAD(Rho)y 0.6033437E-16 GRAD(Rho)z -0.2137668E-16 Laplacian 0.1818481E+00 (-1/4)Del**2(Rho)) -0.4546202E-01 Diamond 0.7638418E-01 Metallicity 0.1991987E+01 Ellipticity 0.1312479E-01 Gb(Abramov) 0.4540131E-01 Vb(Abramov) -0.4534059E-01 Hb(Abramov) 0.6071324E-04 Ex_ueg -0.1109066E-01 Ec_ueg -0.2026194E-02 Delta_ex -0.1448612E-01 Delta_ec 0.5569160E-02 Delta_et -0.5641998E-01 Pxc 0.5473641E+01 Qxc -0.2601133E+01 3,-1 86 3 +1 -2.139469 -1.383345 -1.079634 Rho 0.2771002E-01 |GRAD(Rho)| 0.4713449E-15 GRAD(Rho)x 0.6175209E-16 GRAD(Rho)y -0.4651609E-15 GRAD(Rho)z -0.4447476E-16 Laplacian 0.1119366E+00 (-1/4)Del**2(Rho)) -0.2798414E-01 Diamond 0.1691518E-01 Metallicity 0.1562077E+01 Ellipticity -0.3769338E+01 Gb(Abramov) 0.2594166E-01 Vb(Abramov) -0.2389918E-01 Hb(Abramov) 0.2042481E-02 Ex_ueg -0.6192996E-02 Ec_ueg -0.1226104E-02 Delta_ex -0.7160863E-02 Delta_ec 0.1907221E-02 Delta_et -0.1725967E-01 Pxc 0.5050955E+01 Qxc -0.3754605E+01 3,+1 87 3 +1 -0.135129 -0.180247 -2.830367 Rho 0.5358040E-02 |GRAD(Rho)| 0.5207726E-12 GRAD(Rho)x -0.2431386E-12 GRAD(Rho)y 0.4317706E-12 GRAD(Rho)z -0.1601933E-12 Laplacian 0.2195634E-01 (-1/4)Del**2(Rho)) -0.5489085E-02 Diamond 0.5329002E-03 Metallicity 0.5149082E+00 Ellipticity -0.2820803E+01 Gb(Abramov) 0.4130452E-02 Vb(Abramov) -0.2771820E-02 Hb(Abramov) 0.1358632E-02 Ex_ueg -0.6924573E-03 Ec_ueg -0.1623531E-03 Delta_ex -0.1081814E-02 Delta_ec 0.6475134E-03 Delta_et -0.3607882E-02 Pxc 0.4265131E+01 Qxc -0.1670720E+01 3,+1 88 3 -1 -1.807249 2.785543 -0.545443 Rho 0.1186198E+00 |GRAD(Rho)| 0.3709147E-15 GRAD(Rho)x 0.3261551E-15 GRAD(Rho)y 0.1025215E-15 GRAD(Rho)z -0.1438397E-15 Laplacian 0.4887079E+00 (-1/4)Del**2(Rho)) -0.1221770E+00 Diamond 0.7367191E+00 Metallicity 0.4037931E+01 Ellipticity 0.2500749E-01 Gb(Abramov) 0.1636750E+00 Vb(Abramov) -0.2051731E+00 Hb(Abramov) -0.4149804E-01 Ex_ueg -0.4304550E-01 Ec_ueg -0.6466168E-02 Delta_ex -0.4944541E-01 Delta_ec 0.1287003E-01 Delta_et -0.1646823E+00 Pxc 0.6657035E+01 Qxc -0.3841905E+01 3,-1 89 3 -1 -1.996533 2.959926 0.817269 Rho 0.1550945E+00 |GRAD(Rho)| 0.6575810E-15 GRAD(Rho)x 0.5799262E-15 GRAD(Rho)y -0.4077955E-16 GRAD(Rho)z 0.3073036E-15 Laplacian 0.5978502E+00 (-1/4)Del**2(Rho)) -0.1494626E+00 Diamond 0.1244867E+01 Metallicity 0.5160375E+01 Ellipticity 0.3653380E-01 Gb(Abramov) 0.2281888E+00 Vb(Abramov) -0.3069151E+00 Hb(Abramov) -0.7872629E-01 Ex_ueg -0.6154321E-01 Ec_ueg -0.8770427E-02 Delta_ex -0.6457898E-01 Delta_ec 0.1476623E-01 Delta_et -0.1967943E+00 Pxc 0.7017128E+01 Qxc -0.4373423E+01 3,-1 90 3 -1 -1.764053 0.526640 -2.789279 Rho 0.1264286E+00 |GRAD(Rho)| 0.6580552E-13 GRAD(Rho)x -0.4853512E-13 GRAD(Rho)y -0.4429852E-13 GRAD(Rho)z 0.3514279E-14 Laplacian 0.5274190E+00 (-1/4)Del**2(Rho)) -0.1318548E+00 Diamond 0.8589497E+00 Metallicity 0.4161016E+01 Ellipticity 0.1372720E-01 Gb(Abramov) 0.1793448E+00 Vb(Abramov) -0.2268348E+00 Hb(Abramov) -0.4749004E-01 Ex_ueg -0.4686465E-01 Ec_ueg -0.6952151E-02 Delta_ex -0.5419215E-01 Delta_ec 0.1369332E-01 Delta_et -0.1771189E+00 Pxc 0.6741028E+01 Qxc -0.3957562E+01 3,-1 91 3 +3 -1.084943 1.145499 -1.112624 Rho 0.5283719E-02 |GRAD(Rho)| 0.4104632E-17 GRAD(Rho)x 0.1660631E-17 GRAD(Rho)y -0.3559595E-17 GRAD(Rho)z -0.1191466E-17 Laplacian 0.2072389E-01 (-1/4)Del**2(Rho)) -0.5180971E-02 Diamond 0.1579704E-03 Metallicity 0.5329767E+00 Ellipticity -0.2742712E+00 Gb(Abramov) 0.3914204E-02 Vb(Abramov) -0.2647436E-02 Hb(Abramov) 0.1266768E-02 Ex_ueg -0.6796803E-03 Ec_ueg -0.1591428E-03 Delta_ex -0.7286903E-03 Delta_ec 0.9417960E-04 Delta_et -0.7443176E-03 Pxc 0.4270884E+01 Qxc -0.7737242E+01 3,+3 92 3 -1 -1.728292 0.520721 1.713734 Rho 0.4630145E-01 |GRAD(Rho)| 0.8594107E-16 GRAD(Rho)x 0.6134297E-16 GRAD(Rho)y 0.1872472E-16 GRAD(Rho)z -0.5720395E-16 Laplacian 0.1866747E+00 (-1/4)Del**2(Rho)) -0.4666867E-01 Diamond 0.8444917E-01 Metallicity 0.2203867E+01 Ellipticity 0.2164105E-01 Gb(Abramov) 0.4825437E-01 Vb(Abramov) -0.4984007E-01 Hb(Abramov) -0.1585700E-02 Ex_ueg -0.1227942E-01 Ec_ueg -0.2211475E-02 Delta_ex -0.1503411E-01 Delta_ec 0.5497649E-02 Delta_et -0.5679815E-01 Pxc 0.5552592E+01 Qxc -0.2734643E+01 3,-1 93 3 -1 -1.996882 0.860698 2.972516 Rho 0.1358449E+00 |GRAD(Rho)| 0.1497566E-13 GRAD(Rho)x -0.1205263E-13 GRAD(Rho)y -0.6237876E-14 GRAD(Rho)z 0.6331937E-14 Laplacian 0.5353292E+00 (-1/4)Del**2(Rho)) -0.1338323E+00 Diamond 0.9686959E+00 Metallicity 0.4620948E+01 Ellipticity 0.2747735E-01 Gb(Abramov) 0.1922936E+00 Vb(Abramov) -0.2507548E+00 Hb(Abramov) -0.5846125E-01 Ex_ueg -0.5157542E-01 Ec_ueg -0.7543637E-02 Delta_ex -0.5617850E-01 Delta_ec 0.1403057E-01 Delta_et -0.1842929E+00 Pxc 0.6836944E+01 Qxc -0.4004006E+01 3,-1 94 3 -1 -1.689076 -0.569987 -1.764728 Rho 0.4470027E-01 |GRAD(Rho)| 0.1054737E-15 GRAD(Rho)x 0.6827403E-16 GRAD(Rho)y -0.4312308E-16 GRAD(Rho)z 0.6785094E-16 Laplacian 0.1900848E+00 (-1/4)Del**2(Rho)) -0.4752120E-01 Diamond 0.8449941E-01 Metallicity 0.2041030E+01 Ellipticity 0.1875702E-01 Gb(Abramov) 0.4784616E-01 Vb(Abramov) -0.4817113E-01 Hb(Abramov) -0.3249620E-03 Ex_ueg -0.1171652E-01 Ec_ueg -0.2124089E-02 Delta_ex -0.1530068E-01 Delta_ec 0.5825186E-02 Delta_et -0.5966980E-01 Pxc 0.5516020E+01 Qxc -0.2626642E+01 3,-1 95 3 +3 0.041876 0.006925 -2.339258 Rho 0.4880734E-02 |GRAD(Rho)| 0.5069989E-17 GRAD(Rho)x 0.4115287E-17 GRAD(Rho)y -0.9404656E-18 GRAD(Rho)z 0.2807977E-17 Laplacian 0.1983674E-01 (-1/4)Del**2(Rho)) -0.4959185E-02 Diamond 0.2071878E-03 Metallicity 0.4878482E+00 Ellipticity -0.3590341E+00 Gb(Abramov) 0.3709345E-02 Vb(Abramov) -0.2459505E-02 Hb(Abramov) 0.1249840E-02 Ex_ueg -0.6114560E-03 Ec_ueg -0.1417839E-03 Delta_ex -0.7509334E-03 Delta_ec 0.2126513E-03 Delta_et -0.1313530E-02 Pxc 0.4312591E+01 Qxc -0.3531290E+01 3,+3 96 3 +1 -0.508662 -0.539130 1.654510 Rho 0.8434697E-02 |GRAD(Rho)| 0.6128377E-13 GRAD(Rho)x 0.5583055E-13 GRAD(Rho)y 0.1611346E-13 GRAD(Rho)z 0.1946808E-13 Laplacian 0.3266095E-01 (-1/4)Del**2(Rho)) -0.8165238E-02 Diamond 0.8484837E-03 Metallicity 0.7373949E+00 Ellipticity -0.1442358E+01 Gb(Abramov) 0.6446992E-02 Vb(Abramov) -0.4728747E-02 Hb(Abramov) 0.1718245E-02 Ex_ueg -0.1268073E-02 Ec_ueg -0.2975901E-03 Delta_ex -0.1483501E-02 Delta_ec 0.4573209E-03 Delta_et -0.3112055E-02 Pxc 0.4261141E+01 Qxc -0.3243894E+01 3,+1 97 3 +1 -0.135332 0.166131 2.891050 Rho 0.5125585E-02 |GRAD(Rho)| 0.3985981E-17 GRAD(Rho)x 0.4620854E-18 GRAD(Rho)y -0.3954470E-17 GRAD(Rho)z -0.1915394E-18 Laplacian 0.2103463E-01 (-1/4)Del**2(Rho)) -0.5258658E-02 Diamond 0.5149756E-03 Metallicity 0.4991724E+00 Ellipticity -0.3550263E+01 Gb(Abramov) 0.3943268E-02 Vb(Abramov) -0.2627878E-02 Hb(Abramov) 0.1315390E-02 Ex_ueg -0.6526940E-03 Ec_ueg -0.1523212E-03 Delta_ex -0.1057865E-02 Delta_ec 0.6748938E-03 Delta_et -0.3687588E-02 Pxc 0.4284984E+01 Qxc -0.1567454E+01 3,+1 98 3 +3 0.021093 0.012526 2.314631 Rho 0.4457690E-02 |GRAD(Rho)| 0.5905797E-17 GRAD(Rho)x -0.3005962E-17 GRAD(Rho)y -0.3969694E-17 GRAD(Rho)z -0.3175557E-17 Laplacian 0.1797565E-01 (-1/4)Del**2(Rho)) -0.4493914E-02 Diamond 0.1518615E-03 Metallicity 0.4628549E+00 Ellipticity -0.2604221E+00 Gb(Abramov) 0.3342614E-02 Vb(Abramov) -0.2191315E-02 Hb(Abramov) 0.1151300E-02 Ex_ueg -0.5418323E-03 Ec_ueg -0.1236502E-03 Delta_ex -0.6498810E-03 Delta_ec 0.1653178E-03 Delta_et -0.1031151E-02 Pxc 0.4381978E+01 Qxc -0.3931101E+01 3,+3 99 3 +1 -0.514300 -1.659812 0.533133 Rho 0.8654100E-02 |GRAD(Rho)| 0.4412039E-16 GRAD(Rho)x 0.3464822E-16 GRAD(Rho)y 0.2727230E-16 GRAD(Rho)z -0.1526716E-17 Laplacian 0.3361358E-01 (-1/4)Del**2(Rho)) -0.8403396E-02 Diamond 0.9137970E-03 Metallicity 0.7478277E+00 Ellipticity -0.1461523E+01 Gb(Abramov) 0.6649646E-02 Vb(Abramov) -0.4895896E-02 Hb(Abramov) 0.1753750E-02 Ex_ueg -0.1312243E-02 Ec_ueg -0.3074014E-03 Delta_ex -0.1540959E-02 Delta_ec 0.4782097E-03 Delta_et -0.3269590E-02 Pxc 0.4268826E+01 Qxc -0.3222350E+01 3,+1 100 3 +3 -0.018596 2.330688 0.009841 Rho 0.4634083E-02 |GRAD(Rho)| 0.1072880E-15 GRAD(Rho)x 0.4342495E-16 GRAD(Rho)y -0.5104626E-16 GRAD(Rho)z -0.8378107E-16 Laplacian 0.1895714E-01 (-1/4)Del**2(Rho)) -0.4739285E-02 Diamond 0.1701369E-03 Metallicity 0.4682165E+00 Ellipticity -0.3881239E+00 Gb(Abramov) 0.3529359E-02 Vb(Abramov) -0.2319432E-02 Hb(Abramov) 0.1209927E-02 Ex_ueg -0.5706067E-03 Ec_ueg -0.1312001E-03 Delta_ex -0.6935514E-03 Delta_ec 0.1767690E-03 Delta_et -0.1109504E-02 Pxc 0.4349134E+01 Qxc -0.3923489E+01 3,+3 101 3 +3 -0.008587 -2.298312 0.037556 Rho 0.4879931E-02 |GRAD(Rho)| 0.6042266E-16 GRAD(Rho)x -0.3558139E-17 GRAD(Rho)y -0.6024725E-16 GRAD(Rho)z 0.2916656E-17 Laplacian 0.2023934E-01 (-1/4)Del**2(Rho)) -0.5059836E-02 Diamond 0.1886064E-03 Metallicity 0.4780128E+00 Ellipticity -0.3321361E+00 Gb(Abramov) 0.3776335E-02 Vb(Abramov) -0.2492834E-02 Hb(Abramov) 0.1283501E-02 Ex_ueg -0.6113219E-03 Ec_ueg -0.1417494E-03 Delta_ex -0.7443321E-03 Delta_ec 0.1780268E-03 Delta_et -0.1145979E-02 Pxc 0.4312695E+01 Qxc -0.4181012E+01 3,+3 102 3 -1 0.003421 -2.914379 0.067008 Rho 0.5809416E-02 |GRAD(Rho)| 0.6586210E-17 GRAD(Rho)x 0.3297982E-17 GRAD(Rho)y 0.2859308E-17 GRAD(Rho)z 0.4932122E-17 Laplacian 0.2350202E-01 (-1/4)Del**2(Rho)) -0.5875505E-02 Diamond 0.8013364E-03 Metallicity 0.5504638E+00 Ellipticity 0.1555446E+01 Gb(Abramov) 0.4456046E-02 Vb(Abramov) -0.3036586E-02 Hb(Abramov) 0.1419460E-02 Ex_ueg -0.7713089E-03 Ec_ueg -0.1819099E-03 Delta_ex -0.1302584E-02 Delta_ec 0.9174809E-03 Delta_et -0.5141647E-02 Pxc 0.4240061E+01 Qxc -0.1419739E+01 3,-1 103 3 +1 -1.370300 -2.166414 -1.071948 Rho 0.2894826E-01 |GRAD(Rho)| 0.4572385E-16 GRAD(Rho)x -0.3411606E-17 GRAD(Rho)y 0.4171581E-16 GRAD(Rho)z 0.1840713E-16 Laplacian 0.1179288E+00 (-1/4)Del**2(Rho)) -0.2948221E-01 Diamond 0.1862955E-01 Metallicity 0.1594767E+01 Ellipticity -0.3625513E+01 Gb(Abramov) 0.2749101E-01 Vb(Abramov) -0.2549982E-01 Hb(Abramov) 0.1991194E-02 Ex_ueg -0.6564702E-02 Ec_ueg -0.1289486E-02 Delta_ex -0.7606886E-02 Delta_ec 0.1961874E-02 Delta_et -0.1794694E-01 Pxc 0.5090945E+01 Qxc -0.3877357E+01 3,+1 104 3 +1 2.178638 -1.126476 1.335778 Rho 0.2941656E-01 |GRAD(Rho)| 0.3783924E-16 GRAD(Rho)x 0.2423592E-16 GRAD(Rho)y -0.1394162E-16 GRAD(Rho)z 0.2549627E-16 Laplacian 0.1199780E+00 (-1/4)Del**2(Rho)) -0.2999451E-01 Diamond 0.2055595E-01 Metallicity 0.1610019E+01 Ellipticity -0.5752848E+01 Gb(Abramov) 0.2804497E-01 Vb(Abramov) -0.2609542E-01 Hb(Abramov) 0.1949546E-02 Ex_ueg -0.6706679E-02 Ec_ueg -0.1313552E-02 Delta_ex -0.7875779E-02 Delta_ec 0.2179944E-02 Delta_et -0.1999757E-01 Pxc 0.5105759E+01 Qxc -0.3612836E+01 3,+1 105 3 +1 0.186090 -2.907961 0.249530 Rho 0.5739340E-02 |GRAD(Rho)| 0.7760007E-17 GRAD(Rho)x -0.5133772E-17 GRAD(Rho)y -0.3619658E-18 GRAD(Rho)z 0.5807846E-17 Laplacian 0.2430067E-01 (-1/4)Del**2(Rho)) -0.6075168E-02 Diamond 0.6296917E-03 Metallicity 0.5217128E+00 Ellipticity -0.2239039E+01 Gb(Abramov) 0.4578360E-02 Vb(Abramov) -0.3081553E-02 Hb(Abramov) 0.1496807E-02 Ex_ueg -0.7589287E-03 Ec_ueg -0.1788671E-03 Delta_ex -0.1200577E-02 Delta_ec 0.6928124E-03 Delta_et -0.3950172E-02 Pxc 0.4242976E+01 Qxc -0.1732904E+01 3,+1 106 3 +1 -1.016652 2.155587 1.414878 Rho 0.2745547E-01 |GRAD(Rho)| 0.1824828E-16 GRAD(Rho)x -0.1589659E-16 GRAD(Rho)y -0.6154811E-18 GRAD(Rho)z 0.8939753E-17 Laplacian 0.1113256E+00 (-1/4)Del**2(Rho)) -0.2783140E-01 Diamond 0.1496811E-01 Metallicity 0.1546677E+01 Ellipticity -0.2475254E+01 Gb(Abramov) 0.2572863E-01 Vb(Abramov) -0.2362586E-01 Hb(Abramov) 0.2102771E-02 Ex_ueg -0.6117258E-02 Ec_ueg -0.1213120E-02 Delta_ex -0.6946734E-02 Delta_ec 0.1615768E-02 Delta_et -0.1463507E-01 Pxc 0.5042582E+01 Qxc -0.4299338E+01 3,+1 107 3 +1 0.111166 -0.081008 2.904469 Rho 0.5139222E-02 |GRAD(Rho)| 0.6155357E-14 GRAD(Rho)x 0.4312803E-14 GRAD(Rho)y -0.4381789E-14 GRAD(Rho)z 0.2967615E-15 Laplacian 0.2087061E-01 (-1/4)Del**2(Rho)) -0.5217652E-02 Diamond 0.5288044E-03 Metallicity 0.5053283E+00 Ellipticity -0.5222865E+01 Gb(Abramov) 0.3917873E-02 Vb(Abramov) -0.2618093E-02 Hb(Abramov) 0.1299780E-02 Ex_ueg -0.6550104E-03 Ec_ueg -0.1529090E-03 Delta_ex -0.1064490E-02 Delta_ec 0.6952289E-03 Delta_et -0.3791610E-02 Pxc 0.4283662E+01 Qxc -0.1531136E+01 3,+1 108 3 -1 0.025016 2.934369 -0.022319 Rho 0.5460015E-02 |GRAD(Rho)| 0.5167914E-18 GRAD(Rho)x 0.2444162E-18 GRAD(Rho)y -0.2732501E-18 GRAD(Rho)z 0.3642368E-18 Laplacian 0.2190238E-01 (-1/4)Del**2(Rho)) -0.5475596E-02 Diamond 0.6883581E-03 Metallicity 0.5326535E+00 Ellipticity 0.1722218E+01 Gb(Abramov) 0.4136496E-02 Vb(Abramov) -0.2797397E-02 Hb(Abramov) 0.1339099E-02 Ex_ueg -0.7100847E-03 Ec_ueg -0.1667625E-03 Delta_ex -0.1201396E-02 Delta_ec 0.8569072E-03 Delta_et -0.4711373E-02 Pxc 0.4258059E+01 Qxc -0.1402015E+01 3,-1 109 3 -1 -0.841798 2.971589 1.969456 Rho 0.1118845E+00 |GRAD(Rho)| 0.1126408E-13 GRAD(Rho)x 0.5990380E-14 GRAD(Rho)y -0.2303499E-14 GRAD(Rho)z 0.9256817E-14 Laplacian 0.4383822E+00 (-1/4)Del**2(Rho)) -0.1095956E+00 Diamond 0.6242851E+00 Metallicity 0.4083604E+01 Ellipticity 0.5072660E-01 Gb(Abramov) 0.1476545E+00 Vb(Abramov) -0.1857135E+00 Hb(Abramov) -0.3805895E-01 Ex_ueg -0.3981790E-01 Ec_ueg -0.6050433E-02 Delta_ex -0.4386268E-01 Delta_ec 0.1192131E-01 Delta_et -0.1513055E+00 Pxc 0.6581000E+01 Qxc -0.3679352E+01 3,-1 110 3 +1 0.522842 1.677003 0.533891 Rho 0.8751493E-02 |GRAD(Rho)| 0.8683305E-17 GRAD(Rho)x 0.8499734E-17 GRAD(Rho)y 0.8573959E-18 GRAD(Rho)z 0.1555371E-17 Laplacian 0.3363737E-01 (-1/4)Del**2(Rho)) -0.8409343E-02 Diamond 0.9358962E-03 Metallicity 0.7613681E+00 Ellipticity -0.1488847E+01 Gb(Abramov) 0.6673329E-02 Vb(Abramov) -0.4937316E-02 Hb(Abramov) 0.1736013E-02 Ex_ueg -0.1331970E-02 Ec_ueg -0.3117634E-03 Delta_ex -0.1549678E-02 Delta_ec 0.4843629E-03 Delta_et -0.3316576E-02 Pxc 0.4272376E+01 Qxc -0.3199414E+01 3,+1 111 3 +1 0.228384 2.910543 -0.224929 Rho 0.5380031E-02 |GRAD(Rho)| 0.1675650E-13 GRAD(Rho)x -0.1139758E-14 GRAD(Rho)y -0.2151977E-14 GRAD(Rho)z -0.1657861E-13 Laplacian 0.2252033E-01 (-1/4)Del**2(Rho)) -0.5630083E-02 Diamond 0.5318494E-03 Metallicity 0.5054516E+00 Ellipticity -0.2149798E+01 Gb(Abramov) 0.4227678E-02 Vb(Abramov) -0.2825273E-02 Hb(Abramov) 0.1402405E-02 Ex_ueg -0.6962492E-03 Ec_ueg -0.1633036E-03 Delta_ex -0.1095552E-02 Delta_ec 0.6374422E-03 Delta_et -0.3567528E-02 Pxc 0.4263528E+01 Qxc -0.1718669E+01 3,+1 112 3 +1 0.536871 -1.674339 -0.512650 Rho 0.9235344E-02 |GRAD(Rho)| 0.2674933E-14 GRAD(Rho)x -0.1985885E-14 GRAD(Rho)y 0.1779368E-14 GRAD(Rho)z 0.2130216E-15 Laplacian 0.3673389E-01 (-1/4)Del**2(Rho)) -0.9183471E-02 Diamond 0.1056430E-02 Metallicity 0.7626082E+00 Ellipticity -0.1424883E+01 Gb(Abramov) 0.7289546E-02 Vb(Abramov) -0.5395621E-02 Hb(Abramov) 0.1893925E-02 Ex_ueg -0.1431053E-02 Ec_ueg -0.3334960E-03 Delta_ex -0.1697757E-02 Delta_ec 0.4971874E-03 Delta_et -0.3476607E-02 Pxc 0.4291066E+01 Qxc -0.3414722E+01 3,+1 113 3 -1 -0.836862 -2.986648 -1.981036 Rho 0.1379801E+00 |GRAD(Rho)| 0.4321942E-13 GRAD(Rho)x -0.2009993E-13 GRAD(Rho)y 0.1852917E-13 GRAD(Rho)z 0.3347508E-13 Laplacian 0.5419889E+00 (-1/4)Del**2(Rho)) -0.1354972E+00 Diamond 0.9997188E+00 Metallicity 0.4684359E+01 Ellipticity 0.2990543E-01 Gb(Abramov) 0.1961178E+00 Vb(Abramov) -0.2567383E+00 Hb(Abramov) -0.6062054E-01 Ex_ueg -0.5265913E-01 Ec_ueg -0.7678565E-02 Delta_ex -0.5709751E-01 Delta_ec 0.1416019E-01 Delta_et -0.1864658E+00 Pxc 0.6857939E+01 Qxc -0.4032255E+01 3,-1 114 3 -1 -0.554146 -2.758250 1.834419 Rho 0.1366122E+00 |GRAD(Rho)| 0.3719436E-15 GRAD(Rho)x -0.1418814E-15 GRAD(Rho)y -0.6233146E-16 GRAD(Rho)z -0.3381220E-15 Laplacian 0.5745446E+00 (-1/4)Del**2(Rho)) -0.1436361E+00 Diamond 0.1041824E+01 Metallicity 0.4346154E+01 Ellipticity 0.1238244E-01 Gb(Abramov) 0.1998016E+00 Vb(Abramov) -0.2559670E+00 Hb(Abramov) -0.5616541E-01 Ex_ueg -0.5196420E-01 Ec_ueg -0.7592089E-02 Delta_ex -0.6032095E-01 Delta_ec 0.1493941E-01 Delta_et -0.1962076E+00 Pxc 0.6844520E+01 Qxc -0.4037707E+01 3,-1 115 3 -1 -0.815109 -2.009456 -2.997440 Rho 0.1342299E+00 |GRAD(Rho)| 0.4048584E-13 GRAD(Rho)x -0.1829761E-13 GRAD(Rho)y 0.3248309E-13 GRAD(Rho)z 0.1578449E-13 Laplacian 0.5283083E+00 (-1/4)Del**2(Rho)) -0.1320771E+00 Diamond 0.9440248E+00 Metallicity 0.4589948E+01 Ellipticity 0.2960955E-01 Gb(Abramov) 0.1890892E+00 Vb(Abramov) -0.2461013E+00 Hb(Abramov) -0.5701212E-01 Ex_ueg -0.5075950E-01 Ec_ueg -0.7441776E-02 Delta_ex -0.5530084E-01 Delta_ec 0.1392090E-01 Delta_et -0.1825736E+00 Pxc 0.6820885E+01 Qxc -0.3972504E+01 3,-1 116 3 -1 -0.529954 1.725719 1.733441 Rho 0.4108656E-01 |GRAD(Rho)| 0.3488273E-14 GRAD(Rho)x -0.2711775E-14 GRAD(Rho)y -0.8636755E-15 GRAD(Rho)z -0.2017025E-14 Laplacian 0.1716556E+00 (-1/4)Del**2(Rho)) -0.4291390E-01 Diamond 0.6797865E-01 Metallicity 0.1963909E+01 Ellipticity 0.2495902E-01 Gb(Abramov) 0.4265577E-01 Vb(Abramov) -0.4239764E-01 Hb(Abramov) 0.2581321E-03 Ex_ueg -0.1047092E-01 Ec_ueg -0.1928445E-02 Delta_ex -0.1352810E-01 Delta_ec 0.5256545E-02 Delta_et -0.5263709E-01 Pxc 0.5429719E+01 Qxc -0.2573572E+01 3,-1 117 3 -1 -0.853954 2.004207 2.982951 Rho 0.1391862E+00 |GRAD(Rho)| 0.8608148E-15 GRAD(Rho)x -0.8016591E-15 GRAD(Rho)y 0.8287370E-17 GRAD(Rho)z 0.3134903E-15 Laplacian 0.5469478E+00 (-1/4)Del**2(Rho)) -0.1367369E+00 Diamond 0.1004791E+01 Metallicity 0.4709714E+01 Ellipticity 0.5147701E-01 Gb(Abramov) 0.1984899E+00 Vb(Abramov) -0.2602429E+00 Hb(Abramov) -0.6175300E-01 Ex_ueg -0.5327378E-01 Ec_ueg -0.7754913E-02 Delta_ex -0.5758023E-01 Delta_ec 0.1397124E-01 Delta_et -0.1836341E+00 Pxc 0.6869681E+01 Qxc -0.4121340E+01 3,-1 118 3 -1 -0.570997 2.820170 -1.796994 Rho 0.1492539E+00 |GRAD(Rho)| 0.2105997E-14 GRAD(Rho)x 0.1672423E-14 GRAD(Rho)y 0.6748481E-16 GRAD(Rho)z -0.1278152E-14 Laplacian 0.6211369E+00 (-1/4)Del**2(Rho)) -0.1552842E+00 Diamond 0.1235299E+01 Metallicity 0.4659101E+01 Ellipticity 0.4198813E-01 Gb(Abramov) 0.2241036E+00 Vb(Abramov) -0.2929230E+00 Hb(Abramov) -0.6881940E-01 Ex_ueg -0.5847265E-01 Ec_ueg -0.8395772E-02 Delta_ex -0.6646293E-01 Delta_ec 0.1549418E-01 Delta_et -0.2054620E+00 Pxc 0.6964535E+01 Qxc -0.4289542E+01 3,-1 119 3 -1 -0.494483 -1.737042 -1.721328 Rho 0.5092569E-01 |GRAD(Rho)| 0.1535651E-15 GRAD(Rho)x 0.2083553E-16 GRAD(Rho)y -0.1079243E-15 GRAD(Rho)z -0.1072403E-15 Laplacian 0.2089885E+00 (-1/4)Del**2(Rho)) -0.5224713E-01 Diamond 0.1077431E+00 Metallicity 0.2307025E+01 Ellipticity 0.1638072E-01 Gb(Abramov) 0.5492066E-01 Vb(Abramov) -0.5759418E-01 Hb(Abramov) -0.2673527E-02 Ex_ueg -0.1394123E-01 Ec_ueg -0.2466106E-02 Delta_ex -0.1724529E-01 Delta_ec 0.6160530E-02 Delta_et -0.6525328E-01 Pxc 0.5653133E+01 Qxc -0.2799319E+01 3,-1 120 3 -1 -0.556316 -1.790556 2.795459 Rho 0.1339334E+00 |GRAD(Rho)| 0.2663730E-15 GRAD(Rho)x -0.3884154E-16 GRAD(Rho)y 0.2557768E-15 GRAD(Rho)z 0.6343599E-16 Laplacian 0.5671791E+00 (-1/4)Del**2(Rho)) -0.1417948E+00 Diamond 0.1008040E+01 Metallicity 0.4259654E+01 Ellipticity 0.1211768E-01 Gb(Abramov) 0.1951960E+00 Vb(Abramov) -0.2485972E+00 Hb(Abramov) -0.5340120E-01 Ex_ueg -0.5061006E-01 Ec_ueg -0.7423095E-02 Delta_ex -0.5930606E-01 Delta_ec 0.1489612E-01 Delta_et -0.1951847E+00 Pxc 0.6817920E+01 Qxc -0.3981310E+01 3,-1 121 3 +1 0.580933 -0.514168 -1.640894 Rho 0.9550738E-02 |GRAD(Rho)| 0.5302320E-15 GRAD(Rho)x -0.1284550E-15 GRAD(Rho)y -0.4630525E-15 GRAD(Rho)z -0.2241153E-15 Laplacian 0.3700018E-01 (-1/4)Del**2(Rho)) -0.9250045E-02 Diamond 0.1157874E-02 Metallicity 0.8007019E+00 Ellipticity -0.1517701E+01 Gb(Abramov) 0.7401118E-02 Vb(Abramov) -0.5552191E-02 Hb(Abramov) 0.1848927E-02 Ex_ueg -0.1496584E-02 Ec_ueg -0.3477170E-03 Delta_ex -0.1742060E-02 Delta_ec 0.5314723E-03 Delta_et -0.3723019E-02 Pxc 0.4304028E+01 Qxc -0.3277799E+01 3,+1 122 3 -1 -0.444916 -0.472810 -0.494738 Rho 0.1887184E+00 |GRAD(Rho)| 0.5050876E-15 GRAD(Rho)x -0.2393918E-15 GRAD(Rho)y -0.4440892E-15 GRAD(Rho)z -0.2428613E-16 Laplacian 0.5286756E+00 (-1/4)Del**2(Rho)) -0.1321689E+00 Diamond 0.1437487E+01 Metallicity 0.8093088E+01 Ellipticity 0.1659895E-02 Gb(Abramov) 0.2663884E+00 Vb(Abramov) -0.4006078E+00 Hb(Abramov) -0.1342195E+00 Ex_ueg -0.7994734E-01 Ec_ueg -0.1096662E-01 Delta_ex -0.6031268E-01 Delta_ec 0.1298264E-01 Delta_et -0.1786510E+00 Pxc 0.7290063E+01 Qxc -0.4645642E+01 3,-1 123 3 +3 1.096181 1.117963 1.123879 Rho 0.5121964E-02 |GRAD(Rho)| 0.8929392E-16 GRAD(Rho)x 0.3581518E-16 GRAD(Rho)y 0.8101915E-16 GRAD(Rho)z 0.1125053E-16 Laplacian 0.1972653E-01 (-1/4)Del**2(Rho)) -0.4931634E-02 Diamond 0.1420570E-03 Metallicity 0.5316469E+00 Ellipticity -0.6475798E-01 Gb(Abramov) 0.3724737E-02 Vb(Abramov) -0.2517840E-02 Hb(Abramov) 0.1206897E-02 Ex_ueg -0.6520793E-03 Ec_ueg -0.1521652E-03 Delta_ex -0.6858249E-03 Delta_ec 0.8637542E-04 Delta_et -0.6881267E-03 Pxc 0.4285339E+01 Qxc -0.7940047E+01 3,+3 124 3 -1 0.017353 0.013027 2.901608 Rho 0.5144404E-02 |GRAD(Rho)| 0.2753592E-15 GRAD(Rho)x 0.5301658E-16 GRAD(Rho)y -0.2700313E-15 GRAD(Rho)z 0.9748604E-17 Laplacian 0.2066475E-01 (-1/4)Del**2(Rho)) -0.5166187E-02 Diamond 0.5709560E-03 Metallicity 0.5112203E+00 Ellipticity 0.6184106E+01 Gb(Abramov) 0.3884301E-02 Vb(Abramov) -0.2602416E-02 Hb(Abramov) 0.1281886E-02 Ex_ueg -0.6558911E-03 Ec_ueg -0.1531324E-03 Delta_ex -0.1095903E-02 Delta_ec 0.7628426E-03 Delta_et -0.4133255E-02 Pxc 0.4283165E+01 Qxc -0.1436604E+01 3,-1 125 3 -1 0.006225 -0.041509 -2.843445 Rho 0.5381362E-02 |GRAD(Rho)| 0.1906100E-16 GRAD(Rho)x -0.1345963E-16 GRAD(Rho)y 0.1349568E-16 GRAD(Rho)z 0.1633543E-18 Laplacian 0.2147074E-01 (-1/4)Del**2(Rho)) -0.5367686E-02 Diamond 0.6277393E-03 Metallicity 0.5303791E+00 Ellipticity 0.2423140E+01 Gb(Abramov) 0.4052942E-02 Vb(Abramov) -0.2738198E-02 Hb(Abramov) 0.1314744E-02 Ex_ueg -0.6964790E-03 Ec_ueg -0.1633611E-03 Delta_ex -0.1145998E-02 Delta_ec 0.7888692E-03 Delta_et -0.4334577E-02 Pxc 0.4263432E+01 Qxc -0.1452710E+01 3,-1 126 3 +1 0.244728 0.198096 -2.835560 Rho 0.5284414E-02 |GRAD(Rho)| 0.4864783E-17 GRAD(Rho)x 0.4844399E-17 GRAD(Rho)y 0.2087152E-18 GRAD(Rho)z 0.3928635E-18 Laplacian 0.2179632E-01 (-1/4)Del**2(Rho)) -0.5449079E-02 Diamond 0.4794699E-03 Metallicity 0.5068641E+00 Ellipticity -0.1959035E+01 Gb(Abramov) 0.4093043E-02 Vb(Abramov) -0.2737007E-02 Hb(Abramov) 0.1356036E-02 Ex_ueg -0.6797996E-03 Ec_ueg -0.1591728E-03 Delta_ex -0.1036654E-02 Delta_ec 0.5815198E-03 Delta_et -0.3253127E-02 Pxc 0.4270828E+01 Qxc -0.1782663E+01 3,+1 127 3 +3 1.154782 -1.108243 -1.083937 Rho 0.5398142E-02 |GRAD(Rho)| 0.2286412E-11 GRAD(Rho)x 0.2284105E-11 GRAD(Rho)y -0.9942521E-13 GRAD(Rho)z 0.2563660E-13 Laplacian 0.2121678E-01 (-1/4)Del**2(Rho)) -0.5304195E-02 Diamond 0.1661878E-03 Metallicity 0.5395199E+00 Ellipticity -0.3584869E+00 Gb(Abramov) 0.4013083E-02 Vb(Abramov) -0.2721971E-02 Hb(Abramov) 0.1291112E-02 Ex_ueg -0.6993761E-03 Ec_ueg -0.1640865E-03 Delta_ex -0.7501785E-03 Delta_ec 0.9587818E-04 Delta_et -0.7620301E-03 Pxc 0.4262240E+01 Qxc -0.7824288E+01 3,+3 128 3 +3 2.372358 0.056108 -0.067772 Rho 0.4499305E-02 |GRAD(Rho)| 0.6864501E-17 GRAD(Rho)x -0.6830564E-17 GRAD(Rho)y 0.2529278E-18 GRAD(Rho)z 0.6330881E-18 Laplacian 0.1865212E-01 (-1/4)Del**2(Rho)) -0.4663029E-02 Diamond 0.1782323E-03 Metallicity 0.4530306E+00 Ellipticity -0.5201089E+00 Gb(Abramov) 0.3460768E-02 Vb(Abramov) -0.2258508E-02 Hb(Abramov) 0.1202261E-02 Ex_ueg -0.5485872E-03 Ec_ueg -0.1254299E-03 Delta_ex -0.6958784E-03 Delta_ec 0.2071411E-03 Delta_et -0.1245116E-02 Pxc 0.4373656E+01 Qxc -0.3359441E+01 3,+3 129 3 -1 0.491283 -0.459652 0.446170 Rho 0.1822970E+00 |GRAD(Rho)| 0.8630682E-14 GRAD(Rho)x -0.4770490E-14 GRAD(Rho)y 0.4905798E-14 GRAD(Rho)z -0.5259682E-14 Laplacian 0.4914269E+00 (-1/4)Del**2(Rho)) -0.1228567E+00 Diamond 0.1285968E+01 Metallicity 0.8218388E+01 Ellipticity 0.6198449E-02 Gb(Abramov) 0.2501852E+00 Vb(Abramov) -0.3775137E+00 Hb(Abramov) -0.1273285E+00 Ex_ueg -0.7634097E-01 Ec_ueg -0.1054214E-01 Delta_ex -0.5560956E-01 Delta_ec 0.1223547E-01 Delta_et -0.1679152E+00 Pxc 0.7241506E+01 Qxc -0.4544945E+01 3,-1 130 3 +1 1.686999 -0.494898 -0.586427 Rho 0.8631547E-02 |GRAD(Rho)| 0.1866638E-13 GRAD(Rho)x -0.6885122E-14 GRAD(Rho)y 0.1634193E-13 GRAD(Rho)z -0.5828405E-14 Laplacian 0.3401597E-01 (-1/4)Del**2(Rho)) -0.8503992E-02 Diamond 0.9664666E-03 Metallicity 0.7357745E+00 Ellipticity -0.1499743E+01 Gb(Abramov) 0.6712165E-02 Vb(Abramov) -0.4920338E-02 Hb(Abramov) 0.1791827E-02 Ex_ueg -0.1307685E-02 Ec_ueg -0.3063918E-03 Delta_ex -0.1578561E-02 Delta_ec 0.5199699E-03 Delta_et -0.3523795E-02 Pxc 0.4268016E+01 Qxc -0.3035870E+01 3,+1 131 3 +1 1.747995 -1.775202 -1.679569 Rho 0.1226203E-01 |GRAD(Rho)| 0.1091793E-11 GRAD(Rho)x -0.4129173E-12 GRAD(Rho)y 0.3948570E-12 GRAD(Rho)z -0.9303753E-12 Laplacian 0.6150006E-01 (-1/4)Del**2(Rho)) -0.1537502E-01 Diamond 0.2566937E-02 Metallicity 0.7305922E+00 Ellipticity -0.1278932E+01 Gb(Abramov) 0.1212216E-01 Vb(Abramov) -0.8869294E-02 Hb(Abramov) 0.3252861E-02 Ex_ueg -0.2088342E-02 Ec_ueg -0.4716788E-03 Delta_ex -0.3048293E-02 Delta_ec 0.8125633E-03 Delta_et -0.6114256E-02 Pxc 0.4427467E+01 Qxc -0.3751453E+01 3,+1 132 3 +1 1.132402 2.180561 -1.364542 Rho 0.2854331E-01 |GRAD(Rho)| 0.2810548E-16 GRAD(Rho)x 0.1359931E-17 GRAD(Rho)y -0.2788170E-16 GRAD(Rho)z 0.3267941E-17 Laplacian 0.1172878E+00 (-1/4)Del**2(Rho)) -0.2932195E-01 Diamond 0.1997560E-01 Metallicity 0.1566274E+01 Ellipticity -0.7516823E+01 Gb(Abramov) 0.2720233E-01 Vb(Abramov) -0.2508272E-01 Hb(Abramov) 0.2119617E-02 Ex_ueg -0.6442547E-02 Ec_ueg -0.1268717E-02 Delta_ex -0.7700948E-02 Delta_ec 0.2244299E-02 Delta_et -0.2042291E-01 Pxc 0.5078000E+01 Qxc -0.3431338E+01 3,+1 133 3 -1 -0.466949 0.473975 0.443393 Rho 0.1851778E+00 |GRAD(Rho)| 0.2613624E-15 GRAD(Rho)x 0.2324529E-15 GRAD(Rho)y -0.5204170E-16 GRAD(Rho)z 0.1075529E-15 Laplacian 0.5036146E+00 (-1/4)Del**2(Rho)) -0.1259036E+00 Diamond 0.1340619E+01 Metallicity 0.8231831E+01 Ellipticity 0.4552080E-02 Gb(Abramov) 0.2566720E+00 Vb(Abramov) -0.3874404E+00 Hb(Abramov) -0.1307684E+00 Ex_ueg -0.7795374E-01 Ec_ueg -0.1073228E-01 Delta_ex -0.5719606E-01 Delta_ec 0.1245688E-01 Delta_et -0.1711574E+00 Pxc 0.7263482E+01 Qxc -0.4591524E+01 3,-1 134 3 +1 2.913132 0.174417 -0.183381 Rho 0.4930434E-02 |GRAD(Rho)| 0.1811870E-14 GRAD(Rho)x -0.6289419E-15 GRAD(Rho)y -0.1607552E-14 GRAD(Rho)z -0.5505270E-15 Laplacian 0.2069717E-01 (-1/4)Del**2(Rho)) -0.5174292E-02 Diamond 0.4190515E-03 Metallicity 0.4755295E+00 Ellipticity -0.1806467E+01 Gb(Abramov) 0.3859616E-02 Vb(Abramov) -0.2544940E-02 Hb(Abramov) 0.1314676E-02 Ex_ueg -0.6197719E-03 Ec_ueg -0.1439203E-03 Delta_ex -0.9746095E-03 Delta_ec 0.5595069E-03 Delta_et -0.3063178E-02 Pxc 0.4306355E+01 Qxc -0.1741908E+01 3,+1 135 3 +1 1.092561 1.405471 -2.206668 Rho 0.2575104E-01 |GRAD(Rho)| 0.6017373E-16 GRAD(Rho)x 0.1046814E-16 GRAD(Rho)y -0.6140311E-18 GRAD(Rho)z -0.5925301E-16 Laplacian 0.1012656E+00 (-1/4)Del**2(Rho)) -0.2531640E-01 Diamond 0.1335522E-01 Metallicity 0.1528067E+01 Ellipticity -0.3148883E+01 Gb(Abramov) 0.2332513E-01 Vb(Abramov) -0.2133385E-01 Hb(Abramov) 0.1991273E-02 Ex_ueg -0.5616228E-02 Ec_ueg -0.1126602E-02 Delta_ex -0.6302263E-02 Delta_ec 0.1636368E-02 Delta_et -0.1456652E-01 Pxc 0.4985105E+01 Qxc -0.3851372E+01 3,+1 136 3 -1 0.867662 -2.969679 2.016707 Rho 0.1473977E+00 |GRAD(Rho)| 0.8337784E-15 GRAD(Rho)x -0.6097011E-15 GRAD(Rho)y 0.2722025E-15 GRAD(Rho)z 0.4993564E-15 Laplacian 0.5861781E+00 (-1/4)Del**2(Rho)) -0.1465445E+00 Diamond 0.1170088E+01 Metallicity 0.4835055E+01 Ellipticity 0.5641422E-01 Gb(Abramov) 0.2157882E+00 Vb(Abramov) -0.2850318E+00 Hb(Abramov) -0.6924364E-01 Ex_ueg -0.5750505E-01 Ec_ueg -0.8277138E-02 Delta_ex -0.6275052E-01 Delta_ec 0.1506307E-01 Delta_et -0.2003091E+00 Pxc 0.6947456E+01 Qxc -0.4165852E+01 3,-1 137 3 -1 1.734527 1.753475 -0.531969 Rho 0.4446368E-01 |GRAD(Rho)| 0.3351498E-13 GRAD(Rho)x 0.2190095E-13 GRAD(Rho)y 0.2306768E-13 GRAD(Rho)z 0.1055863E-13 Laplacian 0.1883664E+00 (-1/4)Del**2(Rho)) -0.4709160E-01 Diamond 0.8324634E-01 Metallicity 0.2041512E+01 Ellipticity 0.1059783E-01 Gb(Abramov) 0.4741742E-01 Vb(Abramov) -0.4774323E-01 Hb(Abramov) -0.3258119E-03 Ex_ueg -0.1163391E-01 Ec_ueg -0.2111212E-02 Delta_ex -0.1514807E-01 Delta_ec 0.5782864E-02 Delta_et -0.5915411E-01 Pxc 0.5510533E+01 Qxc -0.2619475E+01 3,-1 138 3 +1 1.738675 1.764161 1.746033 Rho 0.1209605E-01 |GRAD(Rho)| 0.1283053E-16 GRAD(Rho)x -0.7089136E-17 GRAD(Rho)y 0.1862220E-17 GRAD(Rho)z 0.1053085E-16 Laplacian 0.6128248E-01 (-1/4)Del**2(Rho)) -0.1532062E-01 Diamond 0.2495086E-02 Metallicity 0.7167204E+00 Ellipticity -0.1243439E+01 Gb(Abramov) 0.1204385E-01 Vb(Abramov) -0.8767073E-02 Hb(Abramov) 0.3276773E-02 Ex_ueg -0.2050737E-02 Ec_ueg -0.4640051E-03 Delta_ex -0.3022218E-02 Delta_ec 0.8018213E-03 Delta_et -0.6019177E-02 Pxc 0.4419645E+01 Qxc -0.3769192E+01 3,+1 139 3 -1 0.847253 2.024142 -3.003304 Rho 0.1014254E+00 |GRAD(Rho)| 0.4435385E-12 GRAD(Rho)x -0.3247042E-12 GRAD(Rho)y 0.2594994E-12 GRAD(Rho)z 0.1547697E-12 Laplacian 0.3951552E+00 (-1/4)Del**2(Rho)) -0.9878880E-01 Diamond 0.4983443E+00 Metallicity 0.3846714E+01 Ellipticity 0.1766558E-01 Gb(Abramov) 0.1291946E+00 Vb(Abramov) -0.1596004E+00 Hb(Abramov) -0.3040578E-01 Ex_ueg -0.3493392E-01 Ec_ueg -0.5411478E-02 Delta_ex -0.3860963E-01 Delta_ec 0.1093708E-01 Delta_et -0.1361820E+00 Pxc 0.6455523E+01 Qxc -0.3530159E+01 3,-1 140 3 -1 1.749342 -1.708709 0.520577 Rho 0.4987236E-01 |GRAD(Rho)| 0.1421710E-16 GRAD(Rho)x -0.4562966E-17 GRAD(Rho)y 0.7015127E-17 GRAD(Rho)z 0.1149318E-16 Laplacian 0.2048921E+00 (-1/4)Del**2(Rho)) -0.5122303E-01 Diamond 0.1017341E+00 Metallicity 0.2272590E+01 Ellipticity 0.9848611E-02 Gb(Abramov) 0.5355017E-01 Vb(Abramov) -0.5587732E-01 Hb(Abramov) -0.2327147E-02 Ex_ueg -0.1355808E-01 Ec_ueg -0.2407820E-02 Delta_ex -0.1677774E-01 Delta_ec 0.5968345E-02 Delta_et -0.6285440E-01 Pxc 0.5630855E+01 Qxc -0.2811120E+01 3,-1 141 3 +1 1.240123 -1.194087 2.171032 Rho 0.2818945E-01 |GRAD(Rho)| 0.9149529E-16 GRAD(Rho)x -0.9669609E-17 GRAD(Rho)y 0.1245236E-16 GRAD(Rho)z -0.9012672E-16 Laplacian 0.1148136E+00 (-1/4)Del**2(Rho)) -0.2870341E-01 Diamond 0.1940277E-01 Metallicity 0.1567102E+01 Ellipticity -0.8979561E+01 Gb(Abramov) 0.2663247E-01 Vb(Abramov) -0.2456153E-01 Hb(Abramov) 0.2070940E-02 Ex_ueg -0.6336273E-02 Ec_ueg -0.1250601E-02 Delta_ex -0.7530436E-02 Delta_ec 0.2226856E-02 Delta_et -0.2019740E-01 Pxc 0.5066583E+01 Qxc -0.3381644E+01 3,+1 142 3 -1 1.986996 -0.825896 3.009276 Rho 0.1392138E+00 |GRAD(Rho)| 0.3950612E-13 GRAD(Rho)x 0.3208042E-13 GRAD(Rho)y 0.2010223E-13 GRAD(Rho)z -0.1129073E-13 Laplacian 0.5511264E+00 (-1/4)Del**2(Rho)) -0.1377816E+00 Diamond 0.1023938E+01 Metallicity 0.4675547E+01 Ellipticity 0.2893711E-01 Gb(Abramov) 0.1992218E+00 Vb(Abramov) -0.2606620E+00 Hb(Abramov) -0.6144018E-01 Ex_ueg -0.5328784E-01 Ec_ueg -0.7756658E-02 Delta_ex -0.5814650E-01 Delta_ec 0.1429792E-01 Delta_et -0.1883946E+00 Pxc 0.6869948E+01 Qxc -0.4066781E+01 3,-1 143 3 -1 1.828934 -0.519482 -2.767519 Rho 0.1210547E+00 |GRAD(Rho)| 0.2512567E-15 GRAD(Rho)x 0.2346552E-15 GRAD(Rho)y 0.8667519E-16 GRAD(Rho)z -0.2354243E-16 Laplacian 0.5079171E+00 (-1/4)Del**2(Rho)) -0.1269793E+00 Diamond 0.7894681E+00 Metallicity 0.4019047E+01 Ellipticity 0.1452726E-01 Gb(Abramov) 0.1697088E+00 Vb(Abramov) -0.2124383E+00 Hb(Abramov) -0.4272953E-01 Ex_ueg -0.4422766E-01 Ec_ueg -0.6617257E-02 Delta_ex -0.5170392E-01 Delta_ec 0.1342693E-01 Delta_et -0.1726007E+00 Pxc 0.6683686E+01 Qxc -0.3850762E+01 3,-1 144 3 -1 1.734083 0.593300 -1.768026 Rho 0.4475816E-01 |GRAD(Rho)| 0.6665080E-16 GRAD(Rho)x 0.4803122E-16 GRAD(Rho)y -0.2652695E-17 GRAD(Rho)z -0.4613344E-16 Laplacian 0.1908358E+00 (-1/4)Del**2(Rho)) -0.4770896E-01 Diamond 0.8524060E-01 Metallicity 0.2037387E+01 Ellipticity 0.2039367E-01 Gb(Abramov) 0.4800624E-01 Vb(Abramov) -0.4830353E-01 Hb(Abramov) -0.2972841E-03 Ex_ueg -0.1173675E-01 Ec_ueg -0.2127241E-02 Delta_ex -0.1537896E-01 Delta_ec 0.5871162E-02 Delta_et -0.6016593E-01 Pxc 0.5517359E+01 Qxc -0.2619406E+01 3,-1 145 3 -1 1.823925 0.582404 2.793626 Rho 0.1326189E+00 |GRAD(Rho)| 0.2627310E-15 GRAD(Rho)x -0.1624812E-15 GRAD(Rho)y 0.1844770E-15 GRAD(Rho)z 0.9271284E-16 Laplacian 0.5588337E+00 (-1/4)Del**2(Rho)) -0.1397084E+00 Diamond 0.9830407E+00 Metallicity 0.4252778E+01 Ellipticity 0.1289383E-01 Gb(Abramov) 0.1921638E+00 Vb(Abramov) -0.2446191E+00 Hb(Abramov) -0.5245535E-01 Ex_ueg -0.4994884E-01 Ec_ueg -0.7340337E-02 Delta_ex -0.5831238E-01 Delta_ec 0.1474381E-01 Delta_et -0.1929458E+00 Pxc 0.6804708E+01 Qxc -0.3955042E+01 3,-1 146 3 -1 2.008293 0.909109 -3.055793 Rho 0.1669083E+00 |GRAD(Rho)| 0.9455319E-15 GRAD(Rho)x 0.4924040E-15 GRAD(Rho)y -0.6312496E-15 GRAD(Rho)z 0.5030834E-15 Laplacian 0.6428685E+00 (-1/4)Del**2(Rho)) -0.1607171E+00 Diamond 0.1471619E+01 Metallicity 0.5423597E+01 Ellipticity 0.7211708E-01 Gb(Abramov) 0.2524222E+00 Vb(Abramov) -0.3441274E+00 Hb(Abramov) -0.9170512E-01 Ex_ueg -0.6787172E-01 Ec_ueg -0.9534532E-02 Delta_ex -0.7080602E-01 Delta_ec 0.1573116E-01 Delta_et -0.2119403E+00 Pxc 0.7118517E+01 Qxc -0.4501005E+01 3,-1 147 3 -1 1.794290 -2.767047 -0.511670 Rho 0.1406490E+00 |GRAD(Rho)| 0.3738599E-15 GRAD(Rho)x -0.6800658E-16 GRAD(Rho)y 0.9922483E-16 GRAD(Rho)z 0.3539785E-15 Laplacian 0.5831219E+00 (-1/4)Del**2(Rho)) -0.1457805E+00 Diamond 0.1072842E+01 Metallicity 0.4495193E+01 Ellipticity 0.1946331E-01 Gb(Abramov) 0.2064056E+00 Vb(Abramov) -0.2670306E+00 Hb(Abramov) -0.6062507E-01 Ex_ueg -0.5402159E-01 Ec_ueg -0.7847630E-02 Delta_ex -0.6141573E-01 Delta_ec 0.1462575E-01 Delta_et -0.1920433E+00 Pxc 0.6883809E+01 Qxc -0.4199150E+01 3,-1 148 3 -1 1.988183 -2.938271 0.862220 Rho 0.1290283E+00 |GRAD(Rho)| 0.1641976E-14 GRAD(Rho)x -0.1346491E-14 GRAD(Rho)y -0.6489153E-15 GRAD(Rho)z 0.6796728E-15 Laplacian 0.5090263E+00 (-1/4)Del**2(Rho)) -0.1272566E+00 Diamond 0.8551590E+00 Metallicity 0.4460136E+01 Ellipticity 0.3260493E-01 Gb(Abramov) 0.1794347E+00 Vb(Abramov) -0.2316128E+00 Hb(Abramov) -0.5217809E-01 Ex_ueg -0.4815395E-01 Ec_ueg -0.7114870E-02 Delta_ex -0.5262864E-01 Delta_ec 0.1327399E-01 Delta_et -0.1724891E+00 Pxc 0.6768071E+01 Qxc -0.3964794E+01 3,-1 149 3 +1 2.186845 1.371878 -1.083913 Rho 0.2782285E-01 |GRAD(Rho)| 0.1778994E-13 GRAD(Rho)x 0.8231070E-14 GRAD(Rho)y 0.1337274E-13 GRAD(Rho)z 0.8360703E-14 Laplacian 0.1128430E+00 (-1/4)Del**2(Rho)) -0.2821075E-01 Diamond 0.1740437E-01 Metallicity 0.1560059E+01 Ellipticity -0.4094216E+01 Gb(Abramov) 0.2614224E-01 Vb(Abramov) -0.2407373E-01 Hb(Abramov) 0.2068509E-02 Ex_ueg -0.6226641E-02 Ec_ueg -0.1231864E-02 Delta_ex -0.7250889E-02 Delta_ec 0.1965788E-02 Delta_et -0.1780055E-01 Pxc 0.5054650E+01 Qxc -0.3688541E+01 3,+1 150 3 -1 2.767889 -1.813108 -0.525026 Rho 0.1811837E+00 |GRAD(Rho)| 0.3509680E-15 GRAD(Rho)x 0.6461845E-16 GRAD(Rho)y 0.3036308E-15 GRAD(Rho)z -0.1637416E-15 Laplacian 0.7513350E+00 (-1/4)Del**2(Rho)) -0.1878338E+00 Diamond 0.1840090E+01 Metallicity 0.5320815E+01 Ellipticity 0.1685189E-01 Gb(Abramov) 0.2917939E+00 Vb(Abramov) -0.3957541E+00 Hb(Abramov) -0.1039602E+00 Ex_ueg -0.7572000E-01 Ec_ueg -0.1046879E-01 Delta_ex -0.8402607E-01 Delta_ec 0.1719359E-01 Delta_et -0.2312915E+00 Pxc 0.7232928E+01 Qxc -0.4887058E+01 3,-1 151 3 -1 2.783914 0.567256 1.823122 Rho 0.1491414E+00 |GRAD(Rho)| 0.1361235E-15 GRAD(Rho)x 0.5770666E-16 GRAD(Rho)y -0.8723762E-16 GRAD(Rho)z 0.8711564E-16 Laplacian 0.6267883E+00 (-1/4)Del**2(Rho)) -0.1566971E+00 Diamond 0.1257975E+01 Metallicity 0.4611294E+01 Ellipticity 0.1277541E-01 Gb(Abramov) 0.2248941E+00 Vb(Abramov) -0.2930911E+00 Hb(Abramov) -0.6819701E-01 Ex_ueg -0.5841389E-01 Ec_ueg -0.8388576E-02 Delta_ex -0.6718131E-01 Delta_ec 0.1586330E-01 Delta_et -0.2108598E+00 Pxc 0.6963505E+01 Qxc -0.4235015E+01 3,-1 152 3 -1 3.002338 0.871696 -2.010686 Rho 0.1491416E+00 |GRAD(Rho)| 0.1222167E-15 GRAD(Rho)x -0.1534146E-16 GRAD(Rho)y -0.5751693E-16 GRAD(Rho)z -0.1067397E-15 Laplacian 0.5762492E+00 (-1/4)Del**2(Rho)) -0.1440623E+00 Diamond 0.1152550E+01 Metallicity 0.5015731E+01 Ellipticity 0.6036224E-01 Gb(Abramov) 0.2164712E+00 Vb(Abramov) -0.2888800E+00 Hb(Abramov) -0.7240886E-01 Ex_ueg -0.5841399E-01 Ec_ueg -0.8388588E-02 Delta_ex -0.6172429E-01 Delta_ec 0.1451263E-01 Delta_et -0.1927420E+00 Pxc 0.6963507E+01 Qxc -0.4253143E+01 3,-1 153 3 -1 2.999294 -0.859520 2.020740 Rho 0.1444722E+00 |GRAD(Rho)| 0.1651454E-14 GRAD(Rho)x -0.8473040E-16 GRAD(Rho)y -0.1194032E-14 GRAD(Rho)z -0.1137721E-14 Laplacian 0.5739064E+00 (-1/4)Del**2(Rho)) -0.1434766E+00 Diamond 0.1119237E+01 Metallicity 0.4776164E+01 Ellipticity 0.5364151E-01 Gb(Abramov) 0.2098624E+00 Vb(Abramov) -0.2762481E+00 Hb(Abramov) -0.6638575E-01 Ex_ueg -0.5598832E-01 Ec_ueg -0.8090599E-02 Delta_ex -0.6114588E-01 Delta_ec 0.1483734E-01 Delta_et -0.1967680E+00 Pxc 0.6920170E+01 Qxc -0.4121081E+01 3,-1 154 3 -1 3.220986 -3.206515 -0.048511 Rho 0.1654997E+00 |GRAD(Rho)| 0.9210970E-14 GRAD(Rho)x 0.8139946E-14 GRAD(Rho)y -0.4436555E-15 GRAD(Rho)z 0.4287938E-14 Laplacian 0.6207809E+00 (-1/4)Del**2(Rho)) -0.1551952E+00 Diamond 0.1431017E+01 Metallicity 0.5537794E+01 Ellipticity 0.1355058E+00 Gb(Abramov) 0.2467033E+00 Vb(Abramov) -0.3382115E+00 Hb(Abramov) -0.9150812E-01 Ex_ueg -0.6710908E-01 Ec_ueg -0.9442991E-02 Delta_ex -0.6844155E-01 Delta_ec 0.1560371E-01 Delta_et -0.2110310E+00 Pxc 0.7106761E+01 Qxc -0.4386236E+01 3,-1 155 3 -1 2.769661 1.819001 0.575129 Rho 0.1243741E+00 |GRAD(Rho)| 0.5470275E-15 GRAD(Rho)x 0.1327470E-16 GRAD(Rho)y -0.5023515E-15 GRAD(Rho)z 0.2161154E-15 Laplacian 0.5258606E+00 (-1/4)Del**2(Rho)) -0.1314652E+00 Diamond 0.8426477E+00 Metallicity 0.4060933E+01 Ellipticity 0.1876747E-02 Gb(Abramov) 0.1766220E+00 Vb(Abramov) -0.2217788E+00 Hb(Abramov) -0.4515682E-01 Ex_ueg -0.4585201E-01 Ec_ueg -0.6823887E-02 Delta_ex -0.5385674E-01 Delta_ec 0.1377330E-01 Delta_et -0.1777943E+00 Pxc 0.6719340E+01 Qxc -0.3910227E+01 3,-1 156 3 -1 2.997087 1.977496 -0.830690 Rho 0.1170331E+00 |GRAD(Rho)| 0.3010890E-14 GRAD(Rho)x 0.5627856E-15 GRAD(Rho)y 0.1862754E-14 GRAD(Rho)z 0.2297580E-14 Laplacian 0.4523179E+00 (-1/4)Del**2(Rho)) -0.1130795E+00 Diamond 0.6788428E+00 Metallicity 0.4265962E+01 Ellipticity 0.3046747E-01 Gb(Abramov) 0.1557851E+00 Vb(Abramov) -0.1984907E+00 Hb(Abramov) -0.4270563E-01 Ex_ueg -0.4227950E-01 Ec_ueg -0.6367937E-02 Delta_ex -0.4572667E-01 Delta_ec 0.1214584E-01 Delta_et -0.1553706E+00 Pxc 0.6639434E+01 Qxc -0.3764802E+01 3,-1 157 3 -1 2.974187 -1.976520 0.876058 Rho 0.1351815E+00 |GRAD(Rho)| 0.3911651E-15 GRAD(Rho)x 0.1156776E-15 GRAD(Rho)y -0.3705939E-16 GRAD(Rho)z -0.3718271E-15 Laplacian 0.5206828E+00 (-1/4)Del**2(Rho)) -0.1301707E+00 Diamond 0.9244888E+00 Metallicity 0.4712324E+01 Ellipticity 0.3984329E-01 Gb(Abramov) 0.1890149E+00 Vb(Abramov) -0.2478591E+00 Hb(Abramov) -0.5884419E-01 Ex_ueg -0.5123986E-01 Ec_ueg -0.7501773E-02 Delta_ex -0.5443741E-01 Delta_ec 0.1341397E-01 Delta_et -0.1755698E+00 Pxc 0.6830366E+01 Qxc -0.4058263E+01 3,-1 158 3 -1 3.198295 3.201993 0.072948 Rho 0.2458262E+00 |GRAD(Rho)| 0.4341263E-14 GRAD(Rho)x 0.2646212E-14 GRAD(Rho)y 0.1891065E-14 GRAD(Rho)z 0.2875413E-14 Laplacian 0.8758850E+00 (-1/4)Del**2(Rho)) -0.2189712E+00 Diamond 0.3204477E+01 Metallicity 0.7589497E+01 Ellipticity 0.1303528E-02 Gb(Abramov) 0.4229611E+00 Vb(Abramov) -0.6269509E+00 Hb(Abramov) -0.2039898E+00 Ex_ueg -0.1137337E+00 Ec_ueg -0.1484279E-01 Delta_ex -0.1065730E+00 Delta_ec 0.1935818E-01 Delta_et -0.2690120E+00 Pxc 0.7662557E+01 Qxc -0.5505322E+01 3,-1 159 3 +1 -1.097304 1.367517 2.143097 Rho 0.2784216E-01 |GRAD(Rho)| 0.6027815E-14 GRAD(Rho)x -0.4408858E-14 GRAD(Rho)y -0.3898117E-14 GRAD(Rho)z 0.1304306E-14 Laplacian 0.1126163E+00 (-1/4)Del**2(Rho)) -0.2815407E-01 Diamond 0.1771482E-01 Metallicity 0.1565009E+01 Ellipticity -0.4727254E+01 Gb(Abramov) 0.2611294E-01 Vb(Abramov) -0.2407181E-01 Hb(Abramov) 0.2041130E-02 Ex_ueg -0.6232403E-02 Ec_ueg -0.1232850E-02 Delta_ex -0.7268602E-02 Delta_ec 0.2017071E-02 Delta_et -0.1825987E-01 Pxc 0.5055281E+01 Qxc -0.3603543E+01 3,+1 160 3 -1 3.202175 -0.009382 -3.221667 Rho 0.2453196E+00 |GRAD(Rho)| 0.1814576E-14 GRAD(Rho)x -0.1518913E-14 GRAD(Rho)y -0.6331199E-15 GRAD(Rho)z 0.7646878E-15 Laplacian 0.8789300E+00 (-1/4)Del**2(Rho)) -0.2197325E+00 Diamond 0.3201369E+01 Metallicity 0.7537246E+01 Ellipticity 0.3049788E-02 Gb(Abramov) 0.4225180E+00 Vb(Abramov) -0.6253035E+00 Hb(Abramov) -0.2027855E+00 Ex_ueg -0.1134213E+00 Ec_ueg -0.1480762E-01 Delta_ex -0.1068534E+00 Delta_ec 0.1937955E-01 Delta_et -0.2690307E+00 Pxc 0.7659661E+01 Qxc -0.5513720E+01 3,-1 161 3 -1 1.752906 -0.525140 1.727441 Rho 0.4508474E-01 |GRAD(Rho)| 0.2105592E-12 GRAD(Rho)x 0.1270427E-12 GRAD(Rho)y 0.1539581E-12 GRAD(Rho)z -0.6702437E-13 Laplacian 0.1825025E+00 (-1/4)Del**2(Rho)) -0.4562562E-01 Diamond 0.7929682E-01 Metallicity 0.2156388E+01 Ellipticity 0.1582313E-01 Gb(Abramov) 0.4681484E-01 Vb(Abramov) -0.4800406E-01 Hb(Abramov) -0.1189218E-02 Ex_ueg -0.1185108E-01 Ec_ueg -0.2145034E-02 Delta_ex -0.1458400E-01 Delta_ec 0.5346767E-02 Delta_et -0.5484667E-01 Pxc 0.5524890E+01 Qxc -0.2727629E+01 3,-1 162 3 -1 -4.322270 3.758571 -0.821617 Rho 0.3248216E+00 |GRAD(Rho)| 0.9581330E-15 GRAD(Rho)x 0.4029433E-15 GRAD(Rho)y 0.1286826E-15 GRAD(Rho)z -0.8597071E-15 Laplacian -0.1784634E+01 (-1/4)Del**2(Rho)) 0.4461584E+00 Diamond 0.6268991E+01 Metallicity -0.5926601E+01 Ellipticity 0.2357474E-02 Gb(Abramov) 0.1432616E+00 Vb(Abramov) -0.7326815E+00 Hb(Abramov) -0.5894199E+00 Ex_ueg -0.1649092E+00 Ec_ueg -0.2050022E-01 Delta_ex 0.1790531E+00 Delta_ec 0.6175034E-01 Delta_et -0.1476740E+01 Pxc 0.8044265E+01 Qxc 0.2899629E+01 3,-1 163 3 +1 1.125185 -2.143157 1.348229 Rho 0.2958877E-01 |GRAD(Rho)| 0.6104520E-16 GRAD(Rho)x -0.2052856E-16 GRAD(Rho)y -0.5505468E-16 GRAD(Rho)z -0.1655527E-16 Laplacian 0.1212732E+00 (-1/4)Del**2(Rho)) -0.3031830E-01 Diamond 0.2079102E-01 Metallicity 0.1608397E+01 Ellipticity -0.5274332E+01 Gb(Abramov) 0.2833951E-01 Vb(Abramov) -0.2636072E-01 Hb(Abramov) 0.1978790E-02 Ex_ueg -0.6759081E-02 Ec_ueg -0.1322415E-02 Delta_ex -0.7959823E-02 Delta_ec 0.2179558E-02 Delta_et -0.2002476E-01 Pxc 0.5111164E+01 Qxc -0.3652036E+01 3,+1 164 3 -1 -2.990644 1.990063 0.849199 Rho 0.1536997E+00 |GRAD(Rho)| 0.2108622E-15 GRAD(Rho)x -0.2996464E-16 GRAD(Rho)y 0.1079323E-15 GRAD(Rho)z -0.1786494E-15 Laplacian 0.5929636E+00 (-1/4)Del**2(Rho)) -0.1482409E+00 Diamond 0.1227750E+01 Metallicity 0.5125152E+01 Ellipticity 0.4995445E-01 Gb(Abramov) 0.2254535E+00 Vb(Abramov) -0.3026660E+00 Hb(Abramov) -0.7721256E-01 Ex_ueg -0.6080636E-01 Ec_ueg -0.8680766E-02 Delta_ex -0.6396953E-01 Delta_ec 0.1478889E-01 Delta_et -0.1971336E+00 Pxc 0.7004723E+01 Qxc -0.4325514E+01 3,-1 165 3 -1 0.865037 2.998652 -2.007990 Rho 0.1304743E+00 |GRAD(Rho)| 0.4781458E-14 GRAD(Rho)x -0.3910690E-14 GRAD(Rho)y -0.1720812E-14 GRAD(Rho)z -0.2146544E-14 Laplacian 0.5055793E+00 (-1/4)Del**2(Rho)) -0.1263948E+00 Diamond 0.8623291E+00 Metallicity 0.4574728E+01 Ellipticity 0.4459969E-01 Gb(Abramov) 0.1806335E+00 Vb(Abramov) -0.2348722E+00 Hb(Abramov) -0.5423872E-01 Ex_ueg -0.4887478E-01 Ec_ueg -0.7205563E-02 Delta_ex -0.5243125E-01 Delta_ec 0.1318130E-01 Delta_et -0.1716527E+00 Pxc 0.6782923E+01 Qxc -0.3977700E+01 3,-1 166 3 -1 -1.947993 -0.895722 -3.033612 Rho 0.1448355E+00 |GRAD(Rho)| 0.3048055E-13 GRAD(Rho)x -0.1527188E-13 GRAD(Rho)y 0.2446746E-13 GRAD(Rho)z 0.9857837E-14 Laplacian 0.5630960E+00 (-1/4)Del**2(Rho)) -0.1407740E+00 Diamond 0.1088249E+01 Metallicity 0.4888277E+01 Ellipticity 0.5655925E-01 Gb(Abramov) 0.2085397E+00 Vb(Abramov) -0.2763054E+00 Hb(Abramov) -0.6776571E-01 Ex_ueg -0.5617612E-01 Ec_ueg -0.8113736E-02 Delta_ex -0.5989288E-01 Delta_ec 0.1430248E-01 Delta_et -0.1892102E+00 Pxc 0.6923583E+01 Qxc -0.4187588E+01 3,-1 167 3 -1 0.520560 1.766276 -1.727109 Rho 0.4378718E-01 |GRAD(Rho)| 0.5626403E-13 GRAD(Rho)x -0.1985960E-13 GRAD(Rho)y 0.3884155E-13 GRAD(Rho)z -0.3553267E-13 Laplacian 0.1839863E+00 (-1/4)Del**2(Rho)) -0.4599658E-01 Diamond 0.7974939E-01 Metallicity 0.2037382E+01 Ellipticity 0.2970204E-01 Gb(Abramov) 0.4628315E-01 Vb(Abramov) -0.4656973E-01 Hb(Abramov) -0.2865778E-03 Ex_ueg -0.1139850E-01 Ec_ueg -0.2074445E-02 Delta_ex -0.1474562E-01 Delta_ec 0.5659582E-02 Delta_et -0.5765748E-01 Pxc 0.5494722E+01 Qxc -0.2605425E+01 3,-1 168 3 -1 0.125188 -3.217076 -3.156614 Rho 0.2568207E+00 |GRAD(Rho)| 0.3486963E-15 GRAD(Rho)x -0.4743385E-17 GRAD(Rho)y -0.5540273E-16 GRAD(Rho)z -0.3442342E-15 Laplacian 0.9383416E+00 (-1/4)Del**2(Rho)) -0.2345854E+00 Diamond 0.3579926E+01 Metallicity 0.7620244E+01 Ellipticity 0.4531955E-02 Gb(Abramov) 0.4543233E+00 Vb(Abramov) -0.6740611E+00 Hb(Abramov) -0.2197379E+00 Ex_ueg -0.1205661E+00 Ec_ueg -0.1560962E-01 Delta_ex -0.1153014E+00 Delta_ec 0.2012972E-01 Delta_et -0.2784324E+00 Pxc 0.7723830E+01 Qxc -0.5727921E+01 3,-1 169 3 -1 -0.039948 -3.191118 3.227027 Rho 0.2582485E+00 |GRAD(Rho)| 0.3912436E-15 GRAD(Rho)x -0.9963818E-16 GRAD(Rho)y -0.3442342E-15 GRAD(Rho)z -0.1569925E-15 Laplacian 0.9319261E+00 (-1/4)Del**2(Rho)) -0.2329815E+00 Diamond 0.3591665E+01 Metallicity 0.7743930E+01 Ellipticity 0.1289349E-02 Gb(Abramov) 0.4560198E+00 Vb(Abramov) -0.6790580E+00 Hb(Abramov) -0.2230383E+00 Ex_ueg -0.1214606E+00 Ec_ueg -0.1570969E-01 Delta_ex -0.1147404E+00 Delta_ec 0.2006472E-01 Delta_et -0.2780705E+00 Pxc 0.7731572E+01 Qxc -0.5718517E+01 3,-1 170 3 -1 0.574084 -2.794243 -1.747394 Rho 0.1369886E+00 |GRAD(Rho)| 0.6289475E-15 GRAD(Rho)x 0.2433221E-15 GRAD(Rho)y -0.1890171E-15 GRAD(Rho)z 0.5483081E-15 Laplacian 0.5683673E+00 (-1/4)Del**2(Rho)) -0.1420918E+00 Diamond 0.1040433E+01 Metallicity 0.4413583E+01 Ellipticity 0.1940297E-01 Gb(Abramov) 0.1992502E+00 Vb(Abramov) -0.2564086E+00 Hb(Abramov) -0.5715841E-01 Ex_ueg -0.5215519E-01 Ec_ueg -0.7615872E-02 Delta_ex -0.5978419E-01 Delta_ec 0.1489737E-01 Delta_et -0.1959975E+00 Pxc 0.6848223E+01 Qxc -0.4013070E+01 3,-1 171 3 -1 0.601717 -1.817303 -2.728528 Rho 0.1515071E+00 |GRAD(Rho)| 0.2803111E-14 GRAD(Rho)x -0.1795601E-14 GRAD(Rho)y -0.2087442E-14 GRAD(Rho)z 0.5252011E-15 Laplacian 0.6429156E+00 (-1/4)Del**2(Rho)) -0.1607289E+00 Diamond 0.1313982E+01 Metallicity 0.4615098E+01 Ellipticity 0.8532819E-02 Gb(Abramov) 0.2307825E+00 Vb(Abramov) -0.3008362E+00 Hb(Abramov) -0.7005363E-01 Ex_ueg -0.5965256E-01 Ec_ueg -0.8540061E-02 Delta_ex -0.6916761E-01 Delta_ec 0.1619057E-01 Delta_et -0.2156366E+00 Pxc 0.6985028E+01 Qxc -0.4272092E+01 3,-1 172 3 -1 0.556786 -1.718929 1.734046 Rho 0.4420135E-01 |GRAD(Rho)| 0.1654383E-15 GRAD(Rho)x 0.2163788E-16 GRAD(Rho)y -0.9782701E-16 GRAD(Rho)z -0.1316492E-15 Laplacian 0.1780410E+00 (-1/4)Del**2(Rho)) -0.4451026E-01 Diamond 0.7508952E-01 Metallicity 0.2138712E+01 Ellipticity 0.1664317E-01 Gb(Abramov) 0.4553927E-01 Vb(Abramov) -0.4656829E-01 Hb(Abramov) -0.1029016E-02 Ex_ueg -0.1154248E-01 Ec_ueg -0.2096946E-02 Delta_ex -0.1414618E-01 Delta_ec 0.5197317E-02 Delta_et -0.5303175E-01 Pxc 0.5504424E+01 Qxc -0.2721823E+01 3,-1 173 3 -1 0.852221 -1.958079 3.016954 Rho 0.1465391E+00 |GRAD(Rho)| 0.1373889E-14 GRAD(Rho)x -0.1010368E-14 GRAD(Rho)y -0.8449052E-15 GRAD(Rho)z -0.3909769E-15 Laplacian 0.5788957E+00 (-1/4)Del**2(Rho)) -0.1447239E+00 Diamond 0.1144343E+01 Metallicity 0.4848437E+01 Ellipticity 0.3404621E-01 Gb(Abramov) 0.2134301E+00 Vb(Abramov) -0.2821363E+00 Hb(Abramov) -0.6870617E-01 Ex_ueg -0.5705883E-01 Ec_ueg -0.8222333E-02 Delta_ex -0.6185026E-01 Delta_ec 0.1483995E-01 Delta_et -0.1970485E+00 Pxc 0.6939495E+01 Qxc -0.4167821E+01 3,-1 174 3 -1 0.575915 1.823125 2.794794 Rho 0.1432212E+00 |GRAD(Rho)| 0.1512250E-11 GRAD(Rho)x -0.1195835E-11 GRAD(Rho)y 0.3407583E-12 GRAD(Rho)z -0.8606767E-12 Laplacian 0.6059977E+00 (-1/4)Del**2(Rho)) -0.1514994E+00 Diamond 0.1144487E+01 Metallicity 0.4458147E+01 Ellipticity 0.1952488E-01 Gb(Abramov) 0.2135674E+00 Vb(Abramov) -0.2756354E+00 Hb(Abramov) -0.6206798E-01 Ex_ueg -0.5534285E-01 Ec_ueg -0.8010996E-02 Delta_ex -0.6416271E-01 Delta_ec 0.1522641E-01 Delta_et -0.2006553E+00 Pxc 0.6908361E+01 Qxc -0.4213910E+01 3,-1 175 3 -1 0.563999 2.775504 1.814875 Rho 0.1239261E+00 |GRAD(Rho)| 0.4173909E-12 GRAD(Rho)x -0.2646122E-12 GRAD(Rho)y -0.8629101E-13 GRAD(Rho)z 0.3110457E-12 Laplacian 0.5179168E+00 (-1/4)Del**2(Rho)) -0.1294792E+00 Diamond 0.8251000E+00 Metallicity 0.4098496E+01 Ellipticity 0.3081533E-02 Gb(Abramov) 0.1747645E+00 Vb(Abramov) -0.2200498E+00 Hb(Abramov) -0.4528527E-01 Ex_ueg -0.4563193E-01 Ec_ueg -0.6795955E-02 Delta_ex -0.5298143E-01 Delta_ec 0.1354872E-01 Delta_et -0.1747409E+00 Pxc 0.6714572E+01 Qxc -0.3910438E+01 3,-1 176 3 -1 0.053983 3.207153 3.192903 Rho 0.2473087E+00 |GRAD(Rho)| 0.8583722E-15 GRAD(Rho)x -0.1618578E-15 GRAD(Rho)y -0.5480642E-15 GRAD(Rho)z -0.6404924E-15 Laplacian 0.8752706E+00 (-1/4)Del**2(Rho)) -0.2188176E+00 Diamond 0.3233567E+01 Metallicity 0.7671316E+01 Ellipticity 0.3191011E-03 Gb(Abramov) 0.4256483E+00 Vb(Abramov) -0.6324790E+00 Hb(Abramov) -0.2068307E+00 Ex_ueg -0.1146492E+00 Ec_ueg -0.1494581E-01 Delta_ex -0.1067073E+00 Delta_ec 0.1938356E-01 Delta_et -0.2697491E+00 Pxc 0.7670993E+01 Qxc -0.5505038E+01 3,-1 177 3 -1 -0.094066 3.229869 -3.175733 Rho 0.2458989E+00 |GRAD(Rho)| 0.1811595E-14 GRAD(Rho)x 0.1615461E-15 GRAD(Rho)y -0.1264180E-14 GRAD(Rho)z 0.1287490E-14 Laplacian 0.8764128E+00 (-1/4)Del**2(Rho)) -0.2191032E+00 Diamond 0.3208849E+01 Metallicity 0.7588665E+01 Ellipticity 0.2495506E-02 Gb(Abramov) 0.4231856E+00 Vb(Abramov) -0.6272680E+00 Hb(Abramov) -0.2040824E+00 Ex_ueg -0.1137786E+00 Ec_ueg -0.1484784E-01 Delta_ex -0.1066522E+00 Delta_ec 0.1938010E-01 Delta_et -0.2693731E+00 Pxc 0.7662972E+01 Qxc -0.5503181E+01 3,-1 178 3 -1 0.484430 0.488659 -0.493585 Rho 0.1905899E+00 |GRAD(Rho)| 0.3738158E-15 GRAD(Rho)x 0.1387779E-16 GRAD(Rho)y 0.4163336E-16 GRAD(Rho)z -0.3712308E-15 Laplacian 0.5345617E+00 (-1/4)Del**2(Rho)) -0.1336404E+00 Diamond 0.1468109E+01 Metallicity 0.8136702E+01 Ellipticity 0.1578138E-02 Gb(Abramov) 0.2703257E+00 Vb(Abramov) -0.4070109E+00 Hb(Abramov) -0.1366852E+00 Ex_ueg -0.8100618E-01 Ec_ueg -0.1109077E-01 Delta_ex -0.6111646E-01 Delta_ec 0.1305789E-01 Delta_et -0.1797587E+00 Pxc 0.7303928E+01 Qxc -0.4680425E+01 3,-1 179 3 -1 2.023122 2.988027 -0.867187 Rho 0.1341840E+00 |GRAD(Rho)| 0.1456383E-15 GRAD(Rho)x -0.3827911E-16 GRAD(Rho)y 0.9551144E-16 GRAD(Rho)z -0.1030670E-15 Laplacian 0.5227084E+00 (-1/4)Del**2(Rho)) -0.1306771E+00 Diamond 0.9225047E+00 Metallicity 0.4636478E+01 Ellipticity 0.4910405E-01 Gb(Abramov) 0.1880983E+00 Vb(Abramov) -0.2455195E+00 Hb(Abramov) -0.5742120E-01 Ex_ueg -0.5073636E-01 Ec_ueg -0.7438884E-02 Delta_ex -0.5458152E-01 Delta_ec 0.1354482E-01 Delta_et -0.1771873E+00 Pxc 0.6820426E+01 Qxc -0.4029697E+01 3,-1 180 3 -1 1.810172 2.789372 0.560209 Rho 0.1414257E+00 |GRAD(Rho)| 0.2833989E-15 GRAD(Rho)x 0.2511283E-15 GRAD(Rho)y -0.4542129E-16 GRAD(Rho)z -0.1232331E-15 Laplacian 0.5905329E+00 (-1/4)Del**2(Rho)) -0.1476332E+00 Diamond 0.1098947E+01 Metallicity 0.4479709E+01 Ellipticity 0.1853594E-01 Gb(Abramov) 0.2086478E+00 Vb(Abramov) -0.2696624E+00 Hb(Abramov) -0.6101457E-01 Ex_ueg -0.5441972E-01 Ec_ueg -0.7896917E-02 Delta_ex -0.6233697E-01 Delta_ec 0.1489265E-01 Delta_et -0.1959217E+00 Pxc 0.6891262E+01 Qxc -0.4185754E+01 3,-1 181 3 -1 2.765624 -0.529384 -1.813323 Rho 0.7932295E-01 |GRAD(Rho)| 0.3554915E-13 GRAD(Rho)x 0.7889429E-14 GRAD(Rho)y 0.3462002E-13 GRAD(Rho)z -0.1718369E-14 Laplacian 0.3242841E+00 (-1/4)Del**2(Rho)) -0.8107102E-01 Diamond 0.3053189E+00 Metallicity 0.3111853E+01 Ellipticity 0.1800461E-01 Gb(Abramov) 0.9609419E-01 Vb(Abramov) -0.1111174E+00 Hb(Abramov) -0.1502317E-01 Ex_ueg -0.2517195E-01 Ec_ueg -0.4090596E-02 Delta_ex -0.2998018E-01 Delta_ec 0.9521659E-02 Delta_et -0.1126293E+00 Pxc 0.6153615E+01 Qxc -0.3148630E+01 3,-1 182 3 -1 3.226263 0.069570 3.214263 Rho 0.2577441E+00 |GRAD(Rho)| 0.2219731E-15 GRAD(Rho)x 0.1496199E-16 GRAD(Rho)y -0.1646632E-15 GRAD(Rho)z 0.1481020E-15 Laplacian 0.9312144E+00 (-1/4)Del**2(Rho)) -0.2328036E+00 Diamond 0.3578771E+01 Metallicity 0.7724638E+01 Ellipticity 0.3100374E-02 Gb(Abramov) 0.4549230E+00 Vb(Abramov) -0.6770424E+00 Hb(Abramov) -0.2221194E+00 Ex_ueg -0.1211444E+00 Ec_ueg -0.1567433E-01 Delta_ex -0.1145855E+00 Delta_ec 0.2004670E-01 Delta_et -0.2777426E+00 Pxc 0.7728842E+01 Qxc -0.5715929E+01 3,-1 183 3 -1 3.829422 -4.449864 0.160628 Rho 0.3242277E+00 |GRAD(Rho)| 0.9050464E-13 GRAD(Rho)x -0.6717907E-13 GRAD(Rho)y 0.5670851E-13 GRAD(Rho)z 0.2149898E-13 Laplacian -0.1771369E+01 (-1/4)Del**2(Rho)) 0.4428423E+00 Diamond 0.6196717E+01 Metallicity -0.5952796E+01 Ellipticity 0.2908423E-02 Gb(Abramov) 0.1441301E+00 Vb(Abramov) -0.7311025E+00 Hb(Abramov) -0.5869724E+00 Ex_ueg -0.1645073E+00 Ec_ueg -0.2045640E-01 Delta_ex 0.1776378E+00 Delta_ec 0.6121462E-01 Delta_et -0.1463112E+01 Pxc 0.8041852E+01 Qxc 0.2901886E+01 3,-1 184 3 -1 -1.803960 -0.565657 2.780937 Rho 0.1521391E+00 |GRAD(Rho)| 0.7691365E-15 GRAD(Rho)x -0.4450650E-15 GRAD(Rho)y 0.6218984E-15 GRAD(Rho)z -0.8204022E-16 Laplacian 0.6443395E+00 (-1/4)Del**2(Rho)) -0.1610849E+00 Diamond 0.1329155E+01 Metallicity 0.4636956E+01 Ellipticity 0.9430392E-02 Gb(Abramov) 0.2318805E+00 Vb(Abramov) -0.3026761E+00 Hb(Abramov) -0.7079563E-01 Ex_ueg -0.5998455E-01 Ec_ueg -0.8580586E-02 Delta_ex -0.6944731E-01 Delta_ec 0.1630839E-01 Delta_et -0.2175625E+00 Pxc 0.6990729E+01 Qxc -0.4258379E+01 3,-1 185 3 -1 -0.549526 1.828086 -2.756809 Rho 0.1361373E+00 |GRAD(Rho)| 0.1495730E-15 GRAD(Rho)x -0.1475193E-15 GRAD(Rho)y 0.9879792E-17 GRAD(Rho)z -0.2263950E-16 Laplacian 0.5670344E+00 (-1/4)Del**2(Rho)) -0.1417586E+00 Diamond 0.1009106E+01 Metallicity 0.4378235E+01 Ellipticity 0.5778071E-02 Gb(Abramov) 0.1979478E+00 Vb(Abramov) -0.2541370E+00 Hb(Abramov) -0.5618922E-01 Ex_ueg -0.5172351E-01 Ec_ueg -0.7562099E-02 Delta_ex -0.5931433E-01 Delta_ec 0.1445683E-01 Delta_et -0.1891691E+00 Pxc 0.6839836E+01 Qxc -0.4102858E+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 82 172 120 114 173 136 169 119 171 170 115 113 168 167 185 118 139 165 177 116 174 175 117 109 176 140 150 147 157 148 154 137 155 180 156 179 158 57 78 88 164 89 58 85 65 83 62 82 59 94 72 90 67 166 71 92 60 184 64 93 74 161 151 145 153 142 182 144 181 143 152 146 160 129 122 178 133 125 124 108 102 183 162 1 1 1 1 1 1 2 2 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 13 14 15 16 21 22 25 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 23 24 27 28 55 54 2.422485 1.954973 1.948375 1.932065 1.929172 1.716338 2.360266 1.907106 1.948853 1.967252 1.958132 1.718276 2.403280 1.927577 1.890690 2.057606 1.957714 1.707676 2.432137 1.904359 1.964426 1.929107 2.017302 1.705617 2.343650 1.814415 1.914960 1.943465 1.961745 1.859676 2.395301 1.961544 1.911278 2.001004 1.945658 1.707855 2.373631 1.855731 1.983797 1.890499 1.887727 1.855455 2.410748 1.960769 1.923987 1.994190 1.938709 1.706541 2.393875 2.063725 1.956132 1.910519 1.913061 1.706371 2.401885 1.908772 1.905177 1.991509 1.963337 1.717631 2.413347 1.914157 1.959453 1.937048 1.952316 1.717073 2.391411 2.145596 1.972453 1.902980 1.857193 1.708367 1.707447 1.691349 1.687218 1.700533 3.265761 3.287108 3.236421 3.208242 0.985850 0.985177 2.424002 1.955351 1.948806 1.932759 1.929549 1.716345 2.361946 1.907516 1.949350 1.967929 1.958843 1.718281 2.405055 1.928067 1.891290 2.058458 1.958579 1.707686 2.433731 1.904849 1.964971 1.929943 2.017884 1.705626 2.345341 1.815329 1.915615 1.944576 1.963050 1.861547 2.397155 1.962023 1.911833 2.002021 1.946466 1.707865 2.375250 1.856623 1.984517 1.891495 1.889004 1.857029 2.412577 1.961297 1.924484 1.995138 1.939549 1.706551 2.395667 2.064307 1.956800 1.911347 1.913775 1.706384 2.403657 1.909192 1.905521 1.991978 1.964036 1.717634 2.415082 1.914600 1.959818 1.937529 1.953034 1.717079 2.393364 2.146303 1.973046 1.903775 1.857751 1.708386 1.707456 1.691356 1.687221 1.700545 3.277647 3.297481 3.244719 3.215409 0.986174 0.985471 27 28 28 26 27 22 30 25 25 27 28 23 27 25 27 27 25 21 30 25 25 28 28 20 32 27 28 25 26 25 31 25 25 25 25 21 27 24 24 24 27 23 27 25 25 25 25 21 30 25 26 24 24 20 30 25 25 23 28 21 27 25 27 25 28 23 30 27 27 26 25 22 22 22 23 22 35 35 35 35 21 21 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 W W Mo Mo Mo Mo Mo Mo Mo W W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H H 2.5311 2.5043 2.4060 2.4129 2.5692 2.4000 2.5449 2.4169 2.4140 2.5135 2.5238 2.3899 -1.1321 -1.1434 -1.1355 -1.1305 -0.9127 -0.8355 -0.8655 -0.9115 -0.9220 -0.9067 -0.8953 -0.9422 -0.8716 -0.9106 -0.8891 -0.8957 -0.8869 -0.8618 -0.8646 -0.8719 -0.9312 -0.8538 -0.8946 -0.8852 -0.8919 -0.8517 -0.8942 -0.8708 -0.7024 -0.7042 -0.6280 -0.6227 -0.6435 -0.6293 -0.6385 -0.6267 -0.6228 -0.7060 -0.7048 -0.6270 2.4607 0.3125 0.3145 2.0773 2.0832 1.8972 1.9176 1.9180 1.9143 1.9002 1.9277 1.9139 2.0829 2.0747 1.9151 1.9362 1.9379 1.9404 1.9382 1.9404 1.9616 1.9545 1.9409 1.9398 1.9426 1.9456 1.9371 1.9486 1.9410 1.9459 1.9439 1.9538 1.9562 1.9576 1.9570 1.9513 1.9618 1.9552 1.9572 1.9555 1.9592 1.9533 1.9575 1.9811 1.9804 1.9914 1.9928 1.8878 1.9909 1.8874 1.9916 1.9917 1.9812 1.9807 1.9910 0.8107 0.5917 0.5895 6.0816 6.0861 6.0583 6.0525 6.0062 6.0586 6.0264 6.0484 6.0447 6.0852 6.0809 6.0591 5.1567 5.1654 5.1551 5.1531 4.9434 4.8448 4.8835 4.9421 4.9542 4.9352 4.9236 4.9741 4.8952 4.9413 4.9165 4.9222 4.9009 4.8767 4.8779 4.8824 4.9464 4.8613 4.9082 4.8955 4.9054 4.8633 4.9098 4.8844 4.6812 4.6840 4.5988 4.5917 4.7236 4.6007 4.7193 4.5972 4.5930 4.6849 4.6841 4.5983 1.1760 0.0959 0.0959 3.2814 3.2977 3.6385 3.6171 3.5066 3.6270 3.5286 3.6070 3.6273 3.2895 3.2920 3.6360 0.0392 0.0401 0.0400 0.0392 0.0289 0.0291 0.0274 0.0285 0.0280 0.0289 0.0260 0.0310 0.0278 0.0283 0.0267 0.0296 0.0322 0.0290 0.0292 0.0324 0.0335 0.0308 0.0311 0.0325 0.0310 0.0292 0.0311 0.0289 0.0401 0.0399 0.0378 0.0382 0.0321 0.0377 0.0318 0.0379 0.0381 0.0399 0.0400 0.0378 10.5525 0.0000 0.0000 14.0286 14.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0288 14.0287 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 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 55 W W Mo Mo Mo Mo Mo Mo Mo W W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H H 2.527933 2.525529 3.178664 3.184229 3.211902 3.184102 3.212671 3.185420 3.177134 2.526064 2.525549 3.172419 -1.136332 -1.178716 -1.217540 -1.167238 -1.035317 -1.081135 -1.111656 -1.033680 -1.038018 -1.043369 -1.156544 -0.924031 -1.136905 -1.043522 -1.151938 -1.033028 -0.990465 -1.100401 -1.103628 -0.994467 -0.892043 -1.092029 -1.002545 -0.997228 -0.997273 -1.079358 -0.982830 -1.105132 -0.718066 -0.719630 -0.886678 -0.882481 -0.622378 -0.890885 -0.620990 -0.889669 -0.882305 -0.721037 -0.720485 -0.887227 2.324503 0.167755 0.164325 1.963186 1.975324 2.399037 2.396285 2.222565 2.394291 2.192884 2.385446 2.395754 1.972260 1.971469 2.393722 -0.814526 -0.889083 -0.945131 -0.860080 -0.790455 -0.814922 -0.840887 -0.789208 -0.793549 -0.796406 -0.891598 -0.693154 -0.849756 -0.795807 -0.890710 -0.750918 -0.749333 -0.880851 -0.880053 -0.743911 -0.714212 -0.872219 -0.798398 -0.789555 -0.796549 -0.817567 -0.750396 -0.877000 -0.584956 -0.577103 -0.615253 -0.617580 -0.675236 -0.625841 -0.653832 -0.631043 -0.614134 -0.580930 -0.583939 -0.615844 1.682102 0.460728 0.446873 2.056229 2.062369 2.467743 2.462129 2.566593 2.466229 2.558242 2.458683 2.464408 2.057658 2.062625 2.455186 -0.843708 -0.896560 -0.941152 -0.880597 -0.864533 -0.907714 -0.967037 -0.869334 -0.887504 -0.875558 -0.973170 -0.771617 -0.966698 -0.876197 -0.967147 -0.861571 -0.835031 -0.915876 -0.915054 -0.819284 -0.750416 -0.903278 -0.848765 -0.822678 -0.838240 -0.887469 -0.845779 -0.926740 -0.553673 -0.539559 -0.568965 -0.576962 -0.718102 -0.582037 -0.674928 -0.590046 -0.575621 -0.543656 -0.549974 -0.576527 1.669147 0.441692 0.459825 -2.01489200 -0.01898135 -2.73327511 3.39572420 19.70602149 -61.15548399 13.91870580 21.72556441 -10.42834873 -41.43158590 -375.3360 406.4750 -130.9746 -341.3606 -2.0051 -443.2013 Jun12-2024 13:50:04 Nodes: 1 Procs: 1 Jun12-2024 13:50:08 Nodes: 1 Procs: 1 0 Jun12-2024 13:50:13 Nodes: 1 Procs: 1 Jun12-2024 13:50:15 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 13:50:19 Nodes: 1 Procs: 1 Jun12-2024 13:50:24 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:50:28 Nodes: 1 Procs: 1 Jun12-2024 13:50:31 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 13:50:34 Nodes: 1 Procs: 1 Jun12-2024 13:50:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 13:50:43 Nodes: 1 Procs: 5 *** (NO TITLE) *** -1 -15.71606665 -16.12768174 -16.16565883 -16.26208357 -16.28001243 -16.28309231 -16.28443251 -16.28559604 -16.28571766 -16.28583554 -16.28587579 -16.28591872 -16.28600504 -16.28616455 -16.28634234 -16.28662183 -16.28676396 -16.28683736 -16.28688327 -16.28697071 -16.28703034 -16.28704704 -16.28705407 -16.28704941 -16.28704975 -16.28705523 -16.28707685 -16.28710704 -16.28713042 -16.28718538 -16.28722442 -16.28724092 -16.28726408 -16.28727073 -16.28727146 -16.28728328 -16.28731346 -16.28732617 -16.28733617 -16.28734142 -16.28734739 GEOMETRY CONVERGED