ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:16 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.80 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 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.91 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 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 Jun13-2024 03:59:21 Nodes: 1 Procs: 1 Jun13-2024 03:59:22 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 1.83 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 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 Jun13-2024 03:59:21 Nodes: 1 Procs: 1 Jun13-2024 03:59:22 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun13-2024 03:59:25 Nodes: 1 Procs: 1 Jun13-2024 03:59:27 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.03 1.24 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 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 Jun13-2024 03:59:21 Nodes: 1 Procs: 1 Jun13-2024 03:59:22 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun13-2024 03:59:25 Nodes: 1 Procs: 1 Jun13-2024 03:59:27 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun13-2024 03:59:29 Nodes: 1 Procs: 1 Jun13-2024 03:59:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:32 Hydrogen (TZP) c11-27 c11-27 c11-27 c11-27 c11-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.05 2.14 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 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 Jun13-2024 03:59:21 Nodes: 1 Procs: 1 Jun13-2024 03:59:22 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun13-2024 03:59:25 Nodes: 1 Procs: 1 Jun13-2024 03:59:27 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun13-2024 03:59:29 Nodes: 1 Procs: 1 Jun13-2024 03:59:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun13-2024 03:59:32 Nodes: 1 Procs: 1 Jun13-2024 03:59:34 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun13-2024 03:59:40 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1842.1381999999974 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun13-2024 03:59:27 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun13-2024 03:59:22 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun13-2024 03:59:34 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun13-2024 03:59:30 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun13-2024 03:59:18 1 1 Hydrogen TZP 1 1 -15.55287590 0.28941228 0.00100000 F 0.09533076 0.00066667 F 0.28941228 0.09533076 0.21987522 0.01000000 F 0.06286781 0.00666667 F Cartesian 1842.1381999999974 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2 2 -15.92983568 0.22516965 0.00100000 F 0.06635529 0.00066667 F 0.22516965 0.06635529 0.27175672 0.01000000 F 0.09338643 0.00666667 F Cartesian 1842.1381999999974 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203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.624 -6.597 -6.548 -6.518 -6.503 -6.409 -6.407 -6.346 -6.202 -6.172 -3.844 -3.651 -3.520 -3.448 -3.283 -3.255 -3.245 -3.046 -3.026 -3.011 A A A A A A A A A A A A A A A A A A A A 0.00000000086749 0.00037604837615 0.00017851386944 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 42 42 42 42 42 42 42 42 42 42 33 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 8 8 8 8 8 1 1 0.102870 -2.680795 2.488791 0.042131 2.595628 -2.432368 2.526966 -2.531846 -0.041243 2.612523 2.470707 -0.064486 -2.704481 2.447868 0.153694 -2.709031 -2.465982 -0.117468 -2.449302 -0.246977 -2.753443 -2.470370 0.096610 2.673283 2.497290 -0.212902 2.632309 2.575049 0.170151 -2.672788 -0.074812 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3.695164 0.222186 -3.872619 3.692428 -0.164430 -3.977001 -3.573399 0.274505 -3.807951 0.371265 -3.655604 -3.681422 -0.212946 3.868218 3.657001 0.180163 3.855470 1.168410 -1.954139 -2.393791 -0.674722 -3.415960 -1.205359 1 3 -3 0.102870 -2.680795 2.488791 Rho 0.1240648E+06 3,-3 2 3 -3 0.042131 2.595628 -2.432368 Rho 0.1240648E+06 3,-3 3 3 -3 2.526966 -2.531846 -0.041243 Rho 0.1240648E+06 3,-3 4 3 -3 2.612523 2.470707 -0.064486 Rho 0.1240649E+06 3,-3 5 3 -3 -2.704481 2.447868 0.153694 Rho 0.1240648E+06 3,-3 6 3 -3 -2.709031 -2.465982 -0.117468 Rho 0.1240649E+06 3,-3 7 3 -3 -2.449302 -0.246977 -2.753443 Rho 0.1240647E+06 3,-3 8 3 -3 -2.470370 0.096610 2.673283 Rho 0.1240649E+06 3,-3 9 3 -3 2.497290 -0.212902 2.632309 Rho 0.1240649E+06 3,-3 10 3 -3 2.575049 0.170151 -2.672788 Rho 0.1240649E+06 3,-3 11 3 -3 -0.074812 -0.060821 -0.055346 Rho 0.4276085E+05 3,-3 12 3 -3 -0.103357 2.587173 2.473877 Rho 0.4361414E+07 3,-3 13 3 -3 0.930263 -1.039463 0.928344 Rho 0.3190321E+03 3,-3 14 3 -3 -1.076946 -1.016428 -1.030153 Rho 0.3190825E+03 3,-3 15 3 -3 0.948051 0.938202 -0.995781 Rho 0.3190385E+03 3,-3 16 3 -3 -0.985552 0.964078 0.983510 Rho 0.3190092E+03 3,-3 17 3 -3 -3.018492 -1.094024 1.178786 Rho 0.3190090E+03 3,-3 18 3 -3 3.088102 -1.126809 -1.135030 Rho 0.3190332E+03 3,-3 19 3 -3 -3.016674 1.179686 -1.085857 Rho 0.3191919E+03 3,-3 20 3 -3 3.016965 1.162228 1.191053 Rho 0.3190563E+03 3,-3 21 3 -3 1.370005 -1.262931 -3.094708 Rho 0.3188033E+03 3,-3 22 3 -3 1.118725 1.174922 2.937810 Rho 0.3189398E+03 3,-3 23 3 -3 -1.111967 1.118795 -2.994112 Rho 0.3189621E+03 3,-3 24 3 -3 -1.158890 -1.150776 3.069795 Rho 0.3190708E+03 3,-3 25 3 -3 -1.183107 3.064912 -1.136064 Rho 0.3190652E+03 3,-3 26 3 -3 -1.231809 -2.996531 1.238688 Rho 0.3190561E+03 3,-3 27 3 -3 1.152284 3.051174 1.091874 Rho 0.3189353E+03 3,-3 28 3 -3 1.218949 -3.098723 -1.127623 Rho 0.3192833E+03 3,-3 29 3 -3 3.381240 -1.479653 1.604998 Rho 0.3191500E+03 3,-3 30 3 -3 -3.485064 -1.543123 -1.567535 Rho 0.3190790E+03 3,-3 31 3 -3 3.450786 1.486581 -1.511471 Rho 0.3190835E+03 3,-3 32 3 -3 -3.465327 1.523508 1.625981 Rho 0.3190896E+03 3,-3 33 3 -3 1.420709 -1.509296 3.489757 Rho 0.3190919E+03 3,-3 34 3 -3 1.542583 1.481280 -3.467854 Rho 0.3191568E+03 3,-3 35 3 -3 -1.495356 1.563306 3.451175 Rho 0.3190323E+03 3,-3 36 3 -3 -1.805304 -1.475899 -3.805310 Rho 0.3194431E+03 3,-3 37 3 -3 -1.637255 -3.664995 -1.219834 Rho 0.3188161E+03 3,-3 38 3 -3 -1.519348 3.414799 1.507180 Rho 0.3190297E+03 3,-3 39 3 -3 1.539111 -3.444182 1.584571 Rho 0.3191264E+03 3,-3 40 3 -3 1.550704 3.360405 -1.549657 Rho 0.3191026E+03 3,-3 41 3 -3 -0.228991 -3.833407 3.736622 Rho 0.3194573E+03 3,-3 42 3 -3 3.848941 -0.084525 -3.816761 Rho 0.3194495E+03 3,-3 43 3 -3 -0.226884 3.747206 -3.697870 Rho 0.3194579E+03 3,-3 44 3 -3 0.242319 3.795732 3.677694 Rho 0.3193184E+03 3,-3 45 3 -3 3.797961 -3.712535 -0.187723 Rho 0.3194130E+03 3,-3 46 3 -3 3.798994 3.695164 0.222186 Rho 0.3194651E+03 3,-3 47 3 -3 -3.872619 3.692428 -0.164430 Rho 0.3194305E+03 3,-3 48 3 -3 -3.977001 -3.573399 0.274505 Rho 0.3194726E+03 3,-3 49 3 -3 -3.807951 0.371265 -3.655604 Rho 0.3194084E+03 3,-3 50 3 -3 -3.681422 -0.212946 3.868218 Rho 0.3194634E+03 3,-3 51 3 -3 3.657001 0.180163 3.855470 Rho 0.3194535E+03 3,-3 52 3 -3 1.168410 -1.954139 -2.393791 Rho 0.4328880E+00 3,-3 53 3 -3 -0.674722 -3.415960 -1.205359 Rho 0.4452560E+00 3,-3 54 3 -1 -1.855757 -1.705080 -0.556554 Rho 0.4809216E-01 |GRAD(Rho)| 0.7153893E-13 GRAD(Rho)x -0.5829088E-13 GRAD(Rho)y -0.3688610E-13 GRAD(Rho)z -0.1895804E-13 Laplacian 0.1962743E+00 (-1/4)Del**2(Rho)) -0.4906858E-01 Diamond 0.9641591E-01 Metallicity 0.2232921E+01 Ellipticity 0.2115638E-01 Gb(Abramov) 0.5097344E-01 Vb(Abramov) -0.5287829E-01 Hb(Abramov) -0.1904853E-02 Ex_ueg -0.1291667E-01 Ec_ueg -0.2309690E-02 Delta_ex -0.1609138E-01 Delta_ec 0.6015598E-02 Delta_et -0.6283198E-01 Pxc 0.5592385E+01 Qxc -0.2674942E+01 3,-1 55 3 -1 -2.117183 -3.081024 -0.687183 Rho 0.1360077E+00 |GRAD(Rho)| 0.5890544E-14 GRAD(Rho)x -0.3988888E-14 GRAD(Rho)y 0.3320647E-14 GRAD(Rho)z 0.2785783E-14 Laplacian 0.4938207E+00 (-1/4)Del**2(Rho)) -0.1234552E+00 Diamond 0.9062839E+00 Metallicity 0.5019374E+01 Ellipticity 0.1264895E+00 Gb(Abramov) 0.1855814E+00 Vb(Abramov) -0.2477076E+00 Hb(Abramov) -0.6212623E-01 Ex_ueg -0.5165785E-01 Ec_ueg -0.7553913E-02 Delta_ex -0.5196709E-01 Delta_ec 0.1317022E-01 Delta_et -0.1734824E+00 Pxc 0.6838554E+01 Qxc -0.3945804E+01 3,-1 56 3 -1 -3.386183 -3.058128 0.090882 Rho 0.2321719E+00 |GRAD(Rho)| 0.4333308E-15 GRAD(Rho)x 0.4029437E-15 GRAD(Rho)y -0.1045713E-15 GRAD(Rho)z 0.1203193E-15 Laplacian 0.8572921E+00 (-1/4)Del**2(Rho)) -0.2143230E+00 Diamond 0.2910392E+01 Metallicity 0.7049641E+01 Ellipticity 0.2555206E-03 Gb(Abramov) 0.3946987E+00 Vb(Abramov) -0.5750745E+00 Hb(Abramov) -0.1803757E+00 Ex_ueg -0.1053896E+00 Ec_ueg -0.1389966E-01 Delta_ex -0.1026701E+00 Delta_ec 0.1909429E-01 Delta_et -0.2640265E+00 Pxc 0.7582175E+01 Qxc -0.5377008E+01 3,-1 57 3 -1 -2.067113 2.938488 0.860699 Rho 0.1060285E+00 |GRAD(Rho)| 0.1617271E-13 GRAD(Rho)x -0.1341571E-13 GRAD(Rho)y 0.2997694E-14 GRAD(Rho)z -0.8519922E-14 Laplacian 0.4158776E+00 (-1/4)Del**2(Rho)) -0.1039694E+00 Diamond 0.5500385E+00 Metallicity 0.3935667E+01 Ellipticity 0.1702586E-01 Gb(Abramov) 0.1375111E+00 Vb(Abramov) -0.1710528E+00 Hb(Abramov) -0.3354170E-01 Ex_ueg -0.3706366E-01 Ec_ueg -0.5691660E-02 Delta_ex -0.4100733E-01 Delta_ec 0.1130477E-01 Delta_et -0.1418479E+00 Pxc 0.6511925E+01 Qxc -0.3627437E+01 3,-1 58 3 +1 -2.200270 1.122202 1.387472 Rho 0.2536086E-01 |GRAD(Rho)| 0.2377457E-16 GRAD(Rho)x 0.1528641E-16 GRAD(Rho)y -0.1767764E-16 GRAD(Rho)z 0.4365428E-17 Laplacian 0.9895330E-01 (-1/4)Del**2(Rho)) -0.2473833E-01 Diamond 0.1364683E-01 Metallicity 0.1524484E+01 Ellipticity -0.4597485E+01 Gb(Abramov) 0.2277775E-01 Vb(Abramov) -0.2081717E-01 Hb(Abramov) 0.1960578E-02 Ex_ueg -0.5503053E-02 Ec_ueg -0.1106900E-02 Delta_ex -0.6225595E-02 Delta_ec 0.1764188E-02 Delta_et -0.1560859E-01 Pxc 0.4971590E+01 Qxc -0.3528873E+01 3,+1 59 3 +1 -0.542553 -0.577147 1.687374 Rho 0.8048869E-02 |GRAD(Rho)| 0.6209366E-17 GRAD(Rho)x 0.4767869E-17 GRAD(Rho)y -0.3831343E-17 GRAD(Rho)z -0.1069796E-17 Laplacian 0.3132680E-01 (-1/4)Del**2(Rho)) -0.7831700E-02 Diamond 0.7805727E-03 Metallicity 0.7110856E+00 Ellipticity -0.1440771E+01 Gb(Abramov) 0.6149302E-02 Vb(Abramov) -0.4466903E-02 Hb(Abramov) 0.1682399E-02 Ex_ueg -0.1191329E-02 Ec_ueg -0.2803889E-03 Delta_ex -0.1414570E-02 Delta_ec 0.4536068E-03 Delta_et -0.3037327E-02 Pxc 0.4248844E+01 Qxc -0.3118493E+01 3,+1 60 3 +1 -2.919624 -0.256416 -0.289865 Rho 0.5427847E-02 |GRAD(Rho)| 0.9880555E-13 GRAD(Rho)x -0.9036162E-14 GRAD(Rho)y 0.9800961E-13 GRAD(Rho)z -0.8660299E-14 Laplacian 0.2253281E-01 (-1/4)Del**2(Rho)) -0.5633201E-02 Diamond 0.4310623E-03 Metallicity 0.5126771E+00 Ellipticity -0.1439768E+01 Gb(Abramov) 0.4236803E-02 Vb(Abramov) -0.2840405E-02 Hb(Abramov) 0.1396398E-02 Ex_ueg -0.7045123E-03 Ec_ueg -0.1653710E-03 Delta_ex -0.1008689E-02 Delta_ec 0.4781179E-03 Delta_et -0.2753982E-02 Pxc 0.4260192E+01 Qxc -0.2109708E+01 3,+1 61 3 -1 -3.176565 0.083308 -3.233313 Rho 0.2234951E+00 |GRAD(Rho)| 0.4376055E-14 GRAD(Rho)x 0.3444185E-14 GRAD(Rho)y -0.1492540E-14 GRAD(Rho)z 0.2249394E-14 Laplacian 0.8236742E+00 (-1/4)Del**2(Rho)) -0.2059186E+00 Diamond 0.2674871E+01 Metallicity 0.6886062E+01 Ellipticity 0.1891839E-01 Gb(Abramov) 0.3736070E+00 Vb(Abramov) -0.5412955E+00 Hb(Abramov) -0.1676885E+00 Ex_ueg -0.1001711E+00 Ec_ueg -0.1330564E-01 Delta_ex -0.9769574E-01 Delta_ec 0.1858932E-01 Delta_et -0.2567461E+00 Pxc 0.7528466E+01 Qxc -0.5255476E+01 3,-1 62 3 +1 -2.926822 0.211758 0.233645 Rho 0.5879698E-02 |GRAD(Rho)| 0.2493095E-15 GRAD(Rho)x 0.4947951E-17 GRAD(Rho)y -0.2230485E-15 GRAD(Rho)z -0.1112659E-15 Laplacian 0.2438569E-01 (-1/4)Del**2(Rho)) -0.6096424E-02 Diamond 0.6889467E-03 Metallicity 0.5412564E+00 Ellipticity -0.3451998E+01 Gb(Abramov) 0.4614237E-02 Vb(Abramov) -0.3132051E-02 Hb(Abramov) 0.1482186E-02 Ex_ueg -0.7837756E-03 Ec_ueg -0.1849640E-03 Delta_ex -0.1237777E-02 Delta_ec 0.7435263E-03 Delta_et -0.4248658E-02 Pxc 0.4237449E+01 Qxc -0.1664738E+01 3,+1 63 3 +1 -0.655278 -1.689195 0.514824 Rho 0.8470627E-02 |GRAD(Rho)| 0.5950978E-13 GRAD(Rho)x 0.4056927E-15 GRAD(Rho)y 0.5711073E-13 GRAD(Rho)z 0.1672167E-13 Laplacian 0.3223209E-01 (-1/4)Del**2(Rho)) -0.8058023E-02 Diamond 0.8779511E-03 Metallicity 0.7525186E+00 Ellipticity -0.1515663E+01 Gb(Abramov) 0.6382651E-02 Vb(Abramov) -0.4707279E-02 Hb(Abramov) 0.1675372E-02 Ex_ueg -0.1275281E-02 Ec_ueg -0.2991953E-03 Delta_ex -0.1482031E-02 Delta_ec 0.4806585E-03 Delta_et -0.3250375E-02 Pxc 0.4262368E+01 Qxc -0.3083335E+01 3,+1 64 3 -1 -2.974952 0.844025 2.106847 Rho 0.1086930E+00 |GRAD(Rho)| 0.8016588E-13 GRAD(Rho)x 0.2392477E-13 GRAD(Rho)y 0.3997965E-13 GRAD(Rho)z -0.6523650E-13 Laplacian 0.4279009E+00 (-1/4)Del**2(Rho)) -0.1069752E+00 Diamond 0.5828011E+00 Metallicity 0.3986628E+01 Ellipticity 0.3640928E-01 Gb(Abramov) 0.1423952E+00 Vb(Abramov) -0.1778152E+00 Hb(Abramov) -0.3541999E-01 Ex_ueg -0.3831072E-01 Ec_ueg -0.5854584E-02 Delta_ex -0.4243563E-01 Delta_ec 0.1155767E-01 Delta_et -0.1456847E+00 Pxc 0.6543713E+01 Qxc -0.3671643E+01 3,-1 65 3 -1 -1.699300 0.520483 1.793104 Rho 0.4350722E-01 |GRAD(Rho)| 0.5075661E-13 GRAD(Rho)x 0.1833882E-14 GRAD(Rho)y -0.3716538E-13 GRAD(Rho)z 0.3451963E-13 Laplacian 0.1777293E+00 (-1/4)Del**2(Rho)) -0.4443233E-01 Diamond 0.7596937E-01 Metallicity 0.2086682E+01 Ellipticity 0.1687117E-01 Gb(Abramov) 0.4507425E-01 Vb(Abramov) -0.4571616E-01 Hb(Abramov) -0.6419154E-03 Ex_ueg -0.1130143E-01 Ec_ueg -0.2059252E-02 Delta_ex -0.1420082E-01 Delta_ec 0.5430356E-02 Delta_et -0.5522077E-01 Pxc 0.5488125E+01 Qxc -0.2615082E+01 3,-1 66 3 +1 0.505827 1.680432 0.488590 Rho 0.8023612E-02 |GRAD(Rho)| 0.1809892E-14 GRAD(Rho)x -0.1123176E-14 GRAD(Rho)y -0.1287898E-14 GRAD(Rho)z -0.5962392E-15 Laplacian 0.3137636E-01 (-1/4)Del**2(Rho)) -0.7844091E-02 Diamond 0.7516747E-03 Metallicity 0.7062532E+00 Ellipticity -0.1399083E+01 Gb(Abramov) 0.6152713E-02 Vb(Abramov) -0.4461335E-02 Hb(Abramov) 0.1691378E-02 Ex_ueg -0.1186347E-02 Ec_ueg -0.2792652E-03 Delta_ex -0.1402450E-02 Delta_ec 0.4306788E-03 Delta_et -0.2900495E-02 Pxc 0.4248101E+01 Qxc -0.3256371E+01 3,+1 67 3 +1 -1.699053 -0.526679 0.538180 Rho 0.9308377E-02 |GRAD(Rho)| 0.1130208E-16 GRAD(Rho)x 0.5401463E-17 GRAD(Rho)y 0.9913273E-17 GRAD(Rho)z 0.5368535E-18 Laplacian 0.3566738E-01 (-1/4)Del**2(Rho)) -0.8916844E-02 Diamond 0.1094917E-02 Metallicity 0.7957901E+00 Ellipticity -0.1541472E+01 Gb(Abramov) 0.7127219E-02 Vb(Abramov) -0.5337594E-02 Hb(Abramov) 0.1789625E-02 Ex_ueg -0.1446162E-02 Ec_ueg -0.3367852E-03 Delta_ex -0.1675344E-02 Delta_ec 0.5247886E-03 Delta_et -0.3642339E-02 Pxc 0.4294019E+01 Qxc -0.3192416E+01 3,+1 68 3 +1 -1.707949 0.514901 -0.533823 Rho 0.9188372E-02 |GRAD(Rho)| 0.1490105E-16 GRAD(Rho)x -0.4855749E-17 GRAD(Rho)y -0.1022730E-16 GRAD(Rho)z -0.9688403E-17 Laplacian 0.3518192E-01 (-1/4)Del**2(Rho)) -0.8795480E-02 Diamond 0.1089553E-02 Metallicity 0.7895105E+00 Ellipticity -0.1574411E+01 Gb(Abramov) 0.7021007E-02 Vb(Abramov) -0.5246535E-02 Hb(Abramov) 0.1774473E-02 Ex_ueg -0.1421357E-02 Ec_ueg -0.3313818E-03 Delta_ex -0.1658876E-02 Delta_ec 0.5386203E-03 Delta_et -0.3709852E-02 Pxc 0.4289183E+01 Qxc -0.3079861E+01 3,+1 69 3 -1 -3.088362 1.950459 0.934574 Rho 0.1514123E+00 |GRAD(Rho)| 0.2348521E-15 GRAD(Rho)x -0.5206203E-16 GRAD(Rho)y -0.2278180E-15 GRAD(Rho)z -0.2332390E-16 Laplacian 0.5768696E+00 (-1/4)Del**2(Rho)) -0.1442174E+00 Diamond 0.1181362E+01 Metallicity 0.5138120E+01 Ellipticity 0.5596902E-01 Gb(Abramov) 0.2196460E+00 Vb(Abramov) -0.2950746E+00 Hb(Abramov) -0.7542859E-01 Ex_ueg -0.5960281E-01 Ec_ueg -0.8533985E-02 Delta_ex -0.6208450E-01 Delta_ec 0.1458668E-01 Delta_et -0.1943925E+00 Pxc 0.6984171E+01 Qxc -0.4256247E+01 3,-1 70 3 -1 -2.932905 0.113676 0.123660 Rho 0.5893113E-02 |GRAD(Rho)| 0.7664790E-14 GRAD(Rho)x -0.6892156E-15 GRAD(Rho)y -0.7630054E-14 GRAD(Rho)z 0.2372038E-15 Laplacian 0.2382274E-01 (-1/4)Del**2(Rho)) -0.5955685E-02 Diamond 0.7915923E-03 Metallicity 0.5561553E+00 Ellipticity 0.2502759E+01 Gb(Abramov) 0.4522504E-02 Vb(Abramov) -0.3089323E-02 Hb(Abramov) 0.1433181E-02 Ex_ueg -0.7861609E-03 Ec_ueg -0.1855473E-03 Delta_ex -0.1296630E-02 Delta_ec 0.8814730E-03 Delta_et -0.4976975E-02 Pxc 0.4236984E+01 Qxc -0.1470981E+01 3,-1 71 3 -1 -2.741866 -0.528705 1.881892 Rho 0.1178863E+00 |GRAD(Rho)| 0.1637015E-15 GRAD(Rho)x 0.5240423E-16 GRAD(Rho)y 0.7643625E-16 GRAD(Rho)z -0.1349425E-15 Laplacian 0.4814071E+00 (-1/4)Del**2(Rho)) -0.1203518E+00 Diamond 0.7255538E+00 Metallicity 0.4057011E+01 Ellipticity 0.8282097E-02 Gb(Abramov) 0.1616126E+00 Vb(Abramov) -0.2028734E+00 Hb(Abramov) -0.4126082E-01 Ex_ueg -0.4269098E-01 Ec_ueg -0.6420738E-02 Delta_ex -0.4870647E-01 Delta_ec 0.1282456E-01 Delta_et -0.1641343E+00 Pxc 0.6648922E+01 Qxc -0.3797906E+01 3,-1 72 3 +1 -1.756960 1.736209 -1.729444 Rho 0.1079234E-01 |GRAD(Rho)| 0.4801035E-16 GRAD(Rho)x 0.1162711E-16 GRAD(Rho)y 0.3851535E-16 GRAD(Rho)z 0.2619870E-16 Laplacian 0.5155039E-01 (-1/4)Del**2(Rho)) -0.1288760E-01 Diamond 0.1814753E-02 Metallicity 0.7045423E+00 Ellipticity -0.1286285E+01 Gb(Abramov) 0.1010504E-01 Vb(Abramov) -0.7322485E-02 Hb(Abramov) 0.2782556E-02 Ex_ueg -0.1761459E-02 Ec_ueg -0.4041101E-03 Delta_ex -0.2473809E-02 Delta_ec 0.6860943E-03 Delta_et -0.4998434E-02 Pxc 0.4358858E+01 Qxc -0.3605640E+01 3,+1 73 3 -1 -2.974858 -0.923548 -2.116474 Rho 0.1065264E+00 |GRAD(Rho)| 0.3580114E-15 GRAD(Rho)x -0.9629071E-17 GRAD(Rho)y -0.3143034E-15 GRAD(Rho)z 0.1711515E-15 Laplacian 0.4032179E+00 (-1/4)Del**2(Rho)) -0.1008045E+00 Diamond 0.5468516E+00 Metallicity 0.4091053E+01 Ellipticity 0.2869617E-01 Gb(Abramov) 0.1359357E+00 Vb(Abramov) -0.1710670E+00 Hb(Abramov) -0.3513126E-01 Ex_ueg -0.3729591E-01 Ec_ueg -0.5722064E-02 Delta_ex -0.3996858E-01 Delta_ec 0.1124483E-01 Delta_et -0.1416276E+00 Pxc 0.6517912E+01 Qxc -0.3554396E+01 3,-1 74 3 -1 -3.118143 -0.067744 3.311473 Rho 0.2321557E+00 |GRAD(Rho)| 0.1255514E-11 GRAD(Rho)x 0.8818569E-12 GRAD(Rho)y 0.2304501E-12 GRAD(Rho)z -0.8634442E-12 Laplacian 0.8405185E+00 (-1/4)Del**2(Rho)) -0.2101296E+00 Diamond 0.2864204E+01 Metallicity 0.7189489E+01 Ellipticity 0.3025313E-02 Gb(Abramov) 0.3918738E+00 Vb(Abramov) -0.5736180E+00 Hb(Abramov) -0.1817442E+00 Ex_ueg -0.1053798E+00 Ec_ueg -0.1389854E-01 Delta_ex -0.1007207E+00 Delta_ec 0.1883032E-01 Delta_et -0.2608388E+00 Pxc 0.7582077E+01 Qxc -0.5348857E+01 3,-1 75 3 -1 -2.732038 0.495548 -1.877113 Rho 0.5921860E-01 |GRAD(Rho)| 0.5405995E-15 GRAD(Rho)x 0.1460412E-15 GRAD(Rho)y -0.3129041E-15 GRAD(Rho)z -0.4159457E-15 Laplacian 0.2497077E+00 (-1/4)Del**2(Rho)) -0.6242691E-01 Diamond 0.1648501E+00 Metallicity 0.2482818E+01 Ellipticity 0.8959752E-02 Gb(Abramov) 0.6745039E-01 Vb(Abramov) -0.7247386E-01 Hb(Abramov) -0.5023474E-02 Ex_ueg -0.1704757E-01 Ec_ueg -0.2930445E-02 Delta_ex -0.2164437E-01 Delta_ec 0.7770009E-02 Delta_et -0.8573203E-01 Pxc 0.5817401E+01 Qxc -0.2785630E+01 3,-1 76 3 -1 -2.850106 -1.741073 0.573209 Rho 0.1411209E+00 |GRAD(Rho)| 0.3773010E-13 GRAD(Rho)x -0.2668321E-13 GRAD(Rho)y 0.2621659E-13 GRAD(Rho)z -0.4925124E-14 Laplacian 0.5831844E+00 (-1/4)Del**2(Rho)) -0.1457961E+00 Diamond 0.1079529E+01 Metallicity 0.4519871E+01 Ellipticity 0.2289309E-01 Gb(Abramov) 0.2070273E+00 Vb(Abramov) -0.2682585E+00 Hb(Abramov) -0.6123122E-01 Ex_ueg -0.5426336E-01 Ec_ueg -0.7877567E-02 Delta_ex -0.6149704E-01 Delta_ec 0.1465857E-01 Delta_et -0.1926604E+00 Pxc 0.6888340E+01 Qxc -0.4195297E+01 3,-1 77 3 +1 0.036530 -2.976806 0.092265 Rho 0.4487077E-02 |GRAD(Rho)| 0.2381429E-17 GRAD(Rho)x 0.1098854E-17 GRAD(Rho)y 0.3601683E-18 GRAD(Rho)z -0.2081826E-17 Laplacian 0.1770761E-01 (-1/4)Del**2(Rho)) -0.4426902E-02 Diamond 0.3485687E-03 Metallicity 0.4750352E+00 Ellipticity -0.2623031E+01 Gb(Abramov) 0.3301757E-02 Vb(Abramov) -0.2176612E-02 Hb(Abramov) 0.1125145E-02 Ex_ueg -0.5466002E-03 Ec_ueg -0.1249068E-03 Delta_ex -0.8532680E-03 Delta_ec 0.5413667E-03 Delta_et -0.2852574E-02 Pxc 0.4376062E+01 Qxc -0.1576137E+01 3,+1 78 3 +1 -2.251190 -1.127154 -1.441431 Rho 0.2884149E-01 |GRAD(Rho)| 0.9115030E-14 GRAD(Rho)x -0.3743911E-14 GRAD(Rho)y 0.3672564E-14 GRAD(Rho)z -0.7455144E-14 Laplacian 0.1179103E+00 (-1/4)Del**2(Rho)) -0.2947758E-01 Diamond 0.1902092E-01 Metallicity 0.1585225E+01 Ellipticity -0.3900701E+01 Gb(Abramov) 0.2743982E-01 Vb(Abramov) -0.2540206E-01 Hb(Abramov) 0.2037762E-02 Ex_ueg -0.6532438E-02 Ec_ueg -0.1284006E-02 Delta_ex -0.7641986E-02 Delta_ec 0.2039923E-02 Delta_et -0.1863481E-01 Pxc 0.5087545E+01 Qxc -0.3746214E+01 3,+1 79 3 +3 -2.341784 -0.002216 -0.002024 Rho 0.4984213E-02 |GRAD(Rho)| 0.1212065E-15 GRAD(Rho)x 0.7790621E-16 GRAD(Rho)y 0.6675747E-16 GRAD(Rho)z -0.6453743E-16 Laplacian 0.2038185E-01 (-1/4)Del**2(Rho)) -0.5095462E-02 Diamond 0.2009575E-03 Metallicity 0.4916967E+00 Ellipticity -0.4783873E+00 Gb(Abramov) 0.3814545E-02 Vb(Abramov) -0.2533628E-02 Hb(Abramov) 0.1280917E-02 Ex_ueg -0.6288019E-03 Ec_ueg -0.1462335E-03 Delta_ex -0.7588008E-03 Delta_ec 0.1884101E-03 Delta_et -0.1205627E-02 Pxc 0.4299986E+01 Qxc -0.4027388E+01 3,+3 80 3 +1 -1.283554 1.171512 2.197991 Rho 0.2718744E-01 |GRAD(Rho)| 0.1361533E-13 GRAD(Rho)x -0.8505513E-14 GRAD(Rho)y -0.4277352E-14 GRAD(Rho)z 0.9733335E-14 Laplacian 0.1086990E+00 (-1/4)Del**2(Rho)) -0.2717475E-01 Diamond 0.1679336E-01 Metallicity 0.1558361E+01 Ellipticity -0.5547045E+01 Gb(Abramov) 0.2517451E-01 Vb(Abramov) -0.2317427E-01 Hb(Abramov) 0.2000239E-02 Ex_ueg -0.6037763E-02 Ec_ueg -0.1199467E-02 Delta_ex -0.6995262E-02 Delta_ec 0.1989489E-02 Delta_et -0.1789844E-01 Pxc 0.5033707E+01 Qxc -0.3516111E+01 3,+1 81 3 +1 -0.253590 -0.567078 -2.999455 Rho 0.3233036E-02 |GRAD(Rho)| 0.1985732E-17 GRAD(Rho)x 0.2703358E-18 GRAD(Rho)y -0.1749275E-17 GRAD(Rho)z -0.9000479E-18 Laplacian 0.1272078E-01 (-1/4)Del**2(Rho)) -0.3180196E-02 Diamond 0.1300746E-03 Metallicity 0.3829277E+00 Ellipticity -0.1282666E+01 Gb(Abramov) 0.2323095E-02 Vb(Abramov) -0.1465994E-02 Hb(Abramov) 0.8571010E-03 Ex_ueg -0.3530740E-03 Ec_ueg -0.7168406E-04 Delta_ex -0.5247288E-03 Delta_ec 0.2964060E-03 Delta_et -0.1454543E-02 Pxc 0.4925418E+01 Qxc -0.1770304E+01 3,+1 82 3 +1 0.179572 2.964278 -0.210047 Rho 0.5672658E-02 |GRAD(Rho)| 0.1650072E-17 GRAD(Rho)x -0.5482737E-18 GRAD(Rho)y -0.1521412E-17 GRAD(Rho)z 0.3277808E-18 Laplacian 0.2349757E-01 (-1/4)Del**2(Rho)) -0.5874393E-02 Diamond 0.6227706E-03 Metallicity 0.5291367E+00 Ellipticity -0.2702679E+01 Gb(Abramov) 0.4434321E-02 Vb(Abramov) -0.2994250E-02 Hb(Abramov) 0.1440071E-02 Ex_ueg -0.7471949E-03 Ec_ueg -0.1759739E-03 Delta_ex -0.1176502E-02 Delta_ec 0.7026944E-03 Delta_et -0.3978266E-02 Pxc 0.4246055E+01 Qxc -0.1674273E+01 3,+1 83 3 +1 -0.584995 1.681747 -0.525699 Rho 0.8087377E-02 |GRAD(Rho)| 0.1135892E-14 GRAD(Rho)x 0.7167095E-15 GRAD(Rho)y -0.8174607E-15 GRAD(Rho)z 0.3291428E-15 Laplacian 0.3098129E-01 (-1/4)Del**2(Rho)) -0.7745324E-02 Diamond 0.7658902E-03 Metallicity 0.7247580E+00 Ellipticity -0.1444071E+01 Gb(Abramov) 0.6099130E-02 Vb(Abramov) -0.4452936E-02 Hb(Abramov) 0.1646194E-02 Ex_ueg -0.1198934E-02 Ec_ueg -0.2821026E-03 Delta_ex -0.1395210E-02 Delta_ec 0.4389076E-03 Delta_et -0.2950346E-02 Pxc 0.4249993E+01 Qxc -0.3178825E+01 3,+1 84 3 -1 0.824092 1.999919 -2.954857 Rho 0.8393994E-01 |GRAD(Rho)| 0.2288992E-15 GRAD(Rho)x 0.2248517E-15 GRAD(Rho)y 0.1281391E-16 GRAD(Rho)z -0.4089475E-16 Laplacian 0.3254348E+00 (-1/4)Del**2(Rho)) -0.8135871E-01 Diamond 0.3245453E+00 Metallicity 0.3407456E+01 Ellipticity 0.1790015E-01 Gb(Abramov) 0.1004435E+00 Vb(Abramov) -0.1195283E+00 Hb(Abramov) -0.1908479E-01 Ex_ueg -0.2714417E-01 Ec_ueg -0.4362941E-02 Delta_ex -0.3039679E-01 Delta_ec 0.9305631E-02 Delta_et -0.1113405E+00 Pxc 0.6221531E+01 Qxc -0.3266494E+01 3,-1 85 3 -1 -1.810056 1.677597 0.558697 Rho 0.4265858E-01 |GRAD(Rho)| 0.9657771E-13 GRAD(Rho)x -0.7521418E-13 GRAD(Rho)y 0.5452034E-13 GRAD(Rho)z -0.2641236E-13 Laplacian 0.1755264E+00 (-1/4)Del**2(Rho)) -0.4388159E-01 Diamond 0.7321576E-01 Metallicity 0.2044630E+01 Ellipticity 0.1746373E-01 Gb(Abramov) 0.4420800E-01 Vb(Abramov) -0.4453441E-01 Hb(Abramov) -0.3264083E-03 Ex_ueg -0.1100847E-01 Ec_ueg -0.2013278E-02 Delta_ex -0.1396558E-01 Delta_ec 0.5379928E-02 Delta_et -0.5442185E-01 Pxc 0.5467933E+01 Qxc -0.2595867E+01 3,-1 86 3 +1 -0.337935 -1.130138 -2.740282 Rho 0.3516372E-02 |GRAD(Rho)| 0.3883207E-17 GRAD(Rho)x 0.3261864E-17 GRAD(Rho)y 0.4395231E-18 GRAD(Rho)z 0.2060671E-17 Laplacian 0.1406888E-01 (-1/4)Del**2(Rho)) -0.3517219E-02 Diamond 0.1467037E-03 Metallicity 0.3982708E+00 Ellipticity -0.1333082E+01 Gb(Abramov) 0.2578281E-02 Vb(Abramov) -0.1639342E-02 Hb(Abramov) 0.9389388E-03 Ex_ueg -0.3949222E-03 Ec_ueg -0.8363584E-04 Delta_ex -0.5689406E-03 Delta_ec 0.2897989E-03 Delta_et -0.1478869E-02 Pxc 0.4721925E+01 Qxc -0.1963226E+01 3,+1 87 3 -1 -1.930449 -2.727040 0.591126 Rho 0.9481540E-01 |GRAD(Rho)| 0.1996324E-13 GRAD(Rho)x -0.1527680E-13 GRAD(Rho)y 0.3414537E-14 GRAD(Rho)z -0.1238916E-13 Laplacian 0.3879913E+00 (-1/4)Del**2(Rho)) -0.9699782E-01 Diamond 0.4504855E+00 Metallicity 0.3501515E+01 Ellipticity 0.1645027E-01 Gb(Abramov) 0.1212718E+00 Vb(Abramov) -0.1455457E+00 Hb(Abramov) -0.2427395E-01 Ex_ueg -0.3193181E-01 Ec_ueg -0.5012072E-02 Delta_ex -0.3730922E-01 Delta_ec 0.1087911E-01 Delta_et -0.1336222E+00 Pxc 0.6370980E+01 Qxc -0.3429438E+01 3,-1 88 3 +3 1.019989 -1.143828 -1.231418 Rho 0.4463041E-02 |GRAD(Rho)| 0.3995992E-15 GRAD(Rho)x 0.1658751E-15 GRAD(Rho)y 0.3457151E-15 GRAD(Rho)z 0.1124544E-15 Laplacian 0.1720905E-01 (-1/4)Del**2(Rho)) -0.4302262E-02 Diamond 0.1373366E-03 Metallicity 0.4844413E+00 Ellipticity -0.4829375E+00 Gb(Abramov) 0.3215540E-02 Vb(Abramov) -0.2128818E-02 Hb(Abramov) 0.1086722E-02 Ex_ueg -0.5426997E-03 Ec_ueg -0.1238790E-03 Delta_ex -0.6134041E-03 Delta_ec 0.1422849E-03 Delta_et -0.9101082E-03 Pxc 0.4380887E+01 Qxc -0.4311098E+01 3,+3 89 3 +1 0.339089 -1.619473 -1.633940 Rho 0.5976911E-02 |GRAD(Rho)| 0.8690951E-14 GRAD(Rho)x 0.3443315E-14 GRAD(Rho)y -0.5016757E-14 GRAD(Rho)z 0.6205511E-14 Laplacian 0.2342364E-01 (-1/4)Del**2(Rho)) -0.5855911E-02 Diamond 0.5575026E-03 Metallicity 0.5790997E+00 Ellipticity -0.1906036E+01 Gb(Abramov) 0.4469134E-02 Vb(Abramov) -0.3082356E-02 Hb(Abramov) 0.1386778E-02 Ex_ueg -0.8011013E-03 Ec_ueg -0.1891925E-03 Delta_ex -0.1105727E-02 Delta_ec 0.5586387E-03 Delta_et -0.3271224E-02 Pxc 0.4234318E+01 Qxc -0.1979323E+01 3,+1 90 3 +1 -0.570044 0.492256 -1.667022 Rho 0.9551552E-02 |GRAD(Rho)| 0.1510209E-14 GRAD(Rho)x 0.2310091E-15 GRAD(Rho)y -0.1113896E-14 GRAD(Rho)z 0.9932780E-15 Laplacian 0.3721874E-01 (-1/4)Del**2(Rho)) -0.9304685E-02 Diamond 0.1180989E-02 Metallicity 0.7961130E+00 Ellipticity -0.1528350E+01 Gb(Abramov) 0.7437720E-02 Vb(Abramov) -0.5570755E-02 Hb(Abramov) 0.1866965E-02 Ex_ueg -0.1496754E-02 Ec_ueg -0.3477537E-03 Delta_ex -0.1758711E-02 Delta_ec 0.5459003E-03 Delta_et -0.3815499E-02 Pxc 0.4304062E+01 Qxc -0.3221670E+01 3,+1 91 3 -1 -1.902578 2.757956 -0.518204 Rho 0.9146515E-01 |GRAD(Rho)| 0.1002767E-15 GRAD(Rho)x -0.9870644E-16 GRAD(Rho)y -0.1439956E-16 GRAD(Rho)z -0.1025249E-16 Laplacian 0.3747416E+00 (-1/4)Del**2(Rho)) -0.9368539E-01 Diamond 0.4182606E+00 Metallicity 0.3414345E+01 Ellipticity 0.8757537E-02 Gb(Abramov) 0.1157693E+00 Vb(Abramov) -0.1378532E+00 Hb(Abramov) -0.2208391E-01 Ex_ueg -0.3043635E-01 Ec_ueg -0.4811009E-02 Delta_ex -0.3576896E-01 Delta_ec 0.1064686E-01 Delta_et -0.1298635E+00 Pxc 0.6326396E+01 Qxc -0.3359577E+01 3,-1 92 3 +1 -1.450913 2.151637 1.047094 Rho 0.2708679E-01 |GRAD(Rho)| 0.2205180E-16 GRAD(Rho)x -0.9423238E-17 GRAD(Rho)y 0.1805379E-16 GRAD(Rho)z -0.8458421E-17 Laplacian 0.1064652E+00 (-1/4)Del**2(Rho)) -0.2661631E-01 Diamond 0.1419255E-01 Metallicity 0.1581252E+01 Ellipticity -0.2698495E+01 Gb(Abramov) 0.2475872E-01 Vb(Abramov) -0.2290113E-01 Hb(Abramov) 0.1857587E-02 Ex_ueg -0.6007978E-02 Ec_ueg -0.1194344E-02 Delta_ex -0.6632789E-02 Delta_ec 0.1570135E-02 Delta_et -0.1417337E-01 Pxc 0.5030359E+01 Qxc -0.4224343E+01 3,+1 93 3 -1 -1.731771 -0.612082 -1.849865 Rho 0.5125887E-01 |GRAD(Rho)| 0.8348746E-13 GRAD(Rho)x -0.7557150E-13 GRAD(Rho)y -0.3489176E-13 GRAD(Rho)z 0.6455196E-14 Laplacian 0.2088531E+00 (-1/4)Del**2(Rho)) -0.5221327E-01 Diamond 0.1135651E+00 Metallicity 0.2333748E+01 Ellipticity 0.1130683E-01 Gb(Abramov) 0.5511762E-01 Vb(Abramov) -0.5802197E-01 Hb(Abramov) -0.2904349E-02 Ex_ueg -0.1406297E-01 Ec_ueg -0.2484577E-02 Delta_ex -0.1746822E-01 Delta_ec 0.6523445E-02 Delta_et -0.6932793E-01 Pxc 0.5660107E+01 Qxc -0.2677759E+01 3,-1 94 3 +3 -1.128349 -1.124735 1.170843 Rho 0.5068923E-02 |GRAD(Rho)| 0.2027043E-17 GRAD(Rho)x -0.1875119E-18 GRAD(Rho)y -0.1836543E-17 GRAD(Rho)z 0.8371696E-18 Laplacian 0.1969911E-01 (-1/4)Del**2(Rho)) -0.4924777E-02 Diamond 0.1417129E-03 Metallicity 0.5232300E+00 Ellipticity -0.1908662E+00 Gb(Abramov) 0.3712650E-02 Vb(Abramov) -0.2500523E-02 Hb(Abramov) 0.1212127E-02 Ex_ueg -0.6430913E-03 Ec_ueg -0.1498800E-03 Delta_ex -0.6845902E-03 Delta_ec 0.8928798E-04 Delta_et -0.7012699E-03 Pxc 0.4290707E+01 Qxc -0.7667216E+01 3,+3 95 3 +1 -1.788465 -1.722597 1.807627 Rho 0.1185558E-01 |GRAD(Rho)| 0.4241290E-15 GRAD(Rho)x -0.1766355E-15 GRAD(Rho)y -0.1394778E-15 GRAD(Rho)z -0.3594874E-15 Laplacian 0.5834155E-01 (-1/4)Del**2(Rho)) -0.1458539E-01 Diamond 0.2284044E-02 Metallicity 0.7280697E+00 Ellipticity -0.1259289E+01 Gb(Abramov) 0.1149345E-01 Vb(Abramov) -0.8401522E-02 Hb(Abramov) 0.3091933E-02 Ex_ueg -0.1996558E-02 Ec_ueg -0.4529060E-03 Delta_ex -0.2854135E-02 Delta_ec 0.7492944E-03 Delta_et -0.5608006E-02 Pxc 0.4408328E+01 Qxc -0.3809097E+01 3,+1 96 3 -1 -2.104505 -0.904742 -3.313357 Rho 0.2249242E+00 |GRAD(Rho)| 0.2709555E-14 GRAD(Rho)x -0.1647906E-14 GRAD(Rho)y -0.2090884E-15 GRAD(Rho)z 0.2140649E-14 Laplacian 0.8460899E+00 (-1/4)Del**2(Rho)) -0.2115225E+00 Diamond 0.2747951E+01 Metallicity 0.6775225E+01 Ellipticity 0.1533474E-01 Gb(Abramov) 0.3798670E+00 Vb(Abramov) -0.5482116E+00 Hb(Abramov) -0.1683446E+00 Ex_ueg -0.1010260E+00 Ec_ueg -0.1340320E-01 Delta_ex -0.1003992E+00 Delta_ec 0.1884408E-01 Delta_et -0.2594730E+00 Pxc 0.7537459E+01 Qxc -0.5327894E+01 3,-1 97 3 -1 -1.772939 -0.569656 2.862564 Rho 0.1642546E+00 |GRAD(Rho)| 0.5660095E-11 GRAD(Rho)x -0.4011758E-11 GRAD(Rho)y 0.3839792E-11 GRAD(Rho)z -0.1094751E-11 Laplacian 0.6854121E+00 (-1/4)Del**2(Rho)) -0.1713530E+00 Diamond 0.1514030E+01 Metallicity 0.4952876E+01 Ellipticity 0.4020525E-01 Gb(Abramov) 0.2556837E+00 Vb(Abramov) -0.3400144E+00 Hb(Abramov) -0.8433070E-01 Ex_ueg -0.6643678E-01 Ec_ueg -0.9362175E-02 Delta_ex -0.7496935E-01 Delta_ec 0.1644648E-01 Delta_et -0.2201088E+00 Pxc 0.7096298E+01 Qxc -0.4558383E+01 3,-1 98 3 +3 -0.261328 -0.597126 -2.848902 Rho 0.3223841E-02 |GRAD(Rho)| 0.1744618E-17 GRAD(Rho)x -0.6634411E-18 GRAD(Rho)y 0.1551170E-17 GRAD(Rho)z 0.4443088E-18 Laplacian 0.1273068E-01 (-1/4)Del**2(Rho)) -0.3182669E-02 Diamond 0.1128071E-03 Metallicity 0.3808183E+00 Ellipticity -0.5630935E+00 Gb(Abramov) 0.2323782E-02 Vb(Abramov) -0.1464896E-02 Hb(Abramov) 0.8588865E-03 Ex_ueg -0.3517358E-03 Ec_ueg -0.7129695E-04 Delta_ex -0.4967125E-03 Delta_ec 0.2464212E-03 Delta_et -0.1236399E-02 Pxc 0.4933392E+01 Qxc -0.2015705E+01 3,+3 99 3 -1 -1.741184 0.474631 -2.861438 Rho 0.1358590E+00 |GRAD(Rho)| 0.4201438E-15 GRAD(Rho)x 0.1413664E-15 GRAD(Rho)y 0.3938229E-15 GRAD(Rho)z -0.3794538E-16 Laplacian 0.5564784E+00 (-1/4)Del**2(Rho)) -0.1391196E+00 Diamond 0.9962917E+00 Metallicity 0.4446099E+01 Ellipticity 0.1757148E-01 Gb(Abramov) 0.1958363E+00 Vb(Abramov) -0.2525530E+00 Hb(Abramov) -0.5671672E-01 Ex_ueg -0.5158259E-01 Ec_ueg -0.7544530E-02 Delta_ex -0.5827664E-01 Delta_ec 0.1436532E-01 Delta_et -0.1882597E+00 Pxc 0.6837084E+01 Qxc -0.4056760E+01 3,-1 100 3 +3 -1.159814 1.151194 -1.101478 Rho 0.5107012E-02 |GRAD(Rho)| 0.8840009E-15 GRAD(Rho)x 0.6284236E-15 GRAD(Rho)y -0.2090599E-15 GRAD(Rho)z 0.5855214E-15 Laplacian 0.1970727E-01 (-1/4)Del**2(Rho)) -0.4926819E-02 Diamond 0.1405808E-03 Metallicity 0.5295797E+00 Ellipticity -0.3064960E+00 Gb(Abramov) 0.3719403E-02 Vb(Abramov) -0.2511987E-02 Hb(Abramov) 0.1207416E-02 Ex_ueg -0.6495424E-03 Ec_ueg -0.1515209E-03 Delta_ex -0.6839033E-03 Delta_ec 0.8505014E-04 Delta_et -0.6808322E-03 Pxc 0.4286819E+01 Qxc -0.8041178E+01 3,+3 101 3 -1 0.013522 2.978188 -0.049893 Rho 0.5716769E-02 |GRAD(Rho)| 0.2739983E-15 GRAD(Rho)x 0.3970123E-16 GRAD(Rho)y -0.2488660E-15 GRAD(Rho)z -0.1075388E-15 Laplacian 0.2288776E-01 (-1/4)Del**2(Rho)) -0.5721939E-02 Diamond 0.7529086E-03 Metallicity 0.5502935E+00 Ellipticity 0.2185944E+01 Gb(Abramov) 0.4339417E-02 Vb(Abramov) -0.2956895E-02 Hb(Abramov) 0.1382522E-02 Ex_ueg -0.7549519E-03 Ec_ueg -0.1778875E-03 Delta_ex -0.1256438E-02 Delta_ec 0.8785135E-03 Delta_et -0.4903945E-02 Pxc 0.4243984E+01 Qxc -0.1430186E+01 3,-1 102 3 -1 -1.945143 0.873779 3.062935 Rho 0.1409446E+00 |GRAD(Rho)| 0.2494283E-15 GRAD(Rho)x 0.7199102E-16 GRAD(Rho)y -0.2373048E-15 GRAD(Rho)z 0.2680012E-16 Laplacian 0.5456924E+00 (-1/4)Del**2(Rho)) -0.1364231E+00 Diamond 0.1018033E+01 Metallicity 0.4820360E+01 Ellipticity 0.6209280E-01 Gb(Abramov) 0.2005501E+00 Vb(Abramov) -0.2646772E+00 Hb(Abramov) -0.6412704E-01 Ex_ueg -0.5417302E-01 Ec_ueg -0.7866384E-02 Delta_ex -0.5762785E-01 Delta_ec 0.1390247E-01 Delta_et -0.1830828E+00 Pxc 0.6886649E+01 Qxc -0.4145150E+01 3,-1 103 3 +3 -0.119041 -2.432436 -0.101242 Rho 0.3906305E-02 |GRAD(Rho)| 0.2395220E-17 GRAD(Rho)x 0.2433736E-18 GRAD(Rho)y 0.2350626E-17 GRAD(Rho)z 0.3903919E-18 Laplacian 0.1558036E-01 (-1/4)Del**2(Rho)) -0.3895091E-02 Diamond 0.1084974E-03 Metallicity 0.4285279E+00 Ellipticity -0.2576455E+00 Gb(Abramov) 0.2874920E-02 Vb(Abramov) -0.1854749E-02 Hb(Abramov) 0.1020171E-02 Ex_ueg -0.4543668E-03 Ec_ueg -0.1001546E-03 Delta_ex -0.5427354E-03 Delta_ec 0.1397064E-03 Delta_et -0.8490741E-03 Pxc 0.4536655E+01 Qxc -0.3884828E+01 3,+3 104 3 +1 -0.220824 2.987067 0.177705 Rho 0.5603332E-02 |GRAD(Rho)| 0.1500970E-17 GRAD(Rho)x 0.1068265E-17 GRAD(Rho)y 0.9198924E-18 GRAD(Rho)z 0.5152858E-18 Laplacian 0.2317052E-01 (-1/4)Del**2(Rho)) -0.5792630E-02 Diamond 0.5663003E-03 Metallicity 0.5257202E+00 Ellipticity -0.2124464E+01 Gb(Abramov) 0.4369304E-02 Vb(Abramov) -0.2945977E-02 Hb(Abramov) 0.1423326E-02 Ex_ueg -0.7350443E-03 Ec_ueg -0.1729683E-03 Delta_ex -0.1127187E-02 Delta_ec 0.6391879E-03 Delta_et -0.3628042E-02 Pxc 0.4249589E+01 Qxc -0.1763467E+01 3,+1 105 3 +1 2.977825 -0.186187 0.235444 Rho 0.5161503E-02 |GRAD(Rho)| 0.2784990E-17 GRAD(Rho)x -0.2309626E-17 GRAD(Rho)y 0.7304946E-18 GRAD(Rho)z 0.1374108E-17 Laplacian 0.2127534E-01 (-1/4)Del**2(Rho)) -0.5318835E-02 Diamond 0.4777789E-03 Metallicity 0.4993025E+00 Ellipticity -0.2142684E+01 Gb(Abramov) 0.3988508E-02 Vb(Abramov) -0.2658181E-02 Hb(Abramov) 0.1330327E-02 Ex_ueg -0.6587996E-03 Ec_ueg -0.1538696E-03 Delta_ex -0.1028686E-02 Delta_ec 0.6063375E-03 Delta_et -0.3350122E-02 Pxc 0.4281546E+01 Qxc -0.1696557E+01 3,+1 106 3 +3 1.115883 1.071223 1.043732 Rho 0.4659457E-02 |GRAD(Rho)| 0.5720782E-14 GRAD(Rho)x -0.3406650E-14 GRAD(Rho)y -0.3173883E-14 GRAD(Rho)z -0.3323937E-14 Laplacian 0.1826423E-01 (-1/4)Del**2(Rho)) -0.4566059E-02 Diamond 0.1242410E-03 Metallicity 0.4904227E+00 Ellipticity -0.3154737E+00 Gb(Abramov) 0.3417255E-02 Vb(Abramov) -0.2268452E-02 Hb(Abramov) 0.1148803E-02 Ex_ueg -0.5747762E-03 Ec_ueg -0.1322874E-03 Delta_ex -0.6274136E-03 Delta_ec 0.9581993E-04 Delta_et -0.7046381E-03 Pxc 0.4344905E+01 Qxc -0.6547840E+01 3,+3 107 3 -1 -0.226915 -1.319791 -3.396739 Rho 0.4519177E-02 |GRAD(Rho)| 0.1762198E-14 GRAD(Rho)x -0.1633338E-14 GRAD(Rho)y 0.2806284E-15 GRAD(Rho)z 0.5989967E-15 Laplacian 0.1746875E-01 (-1/4)Del**2(Rho)) -0.4367188E-02 Diamond 0.5503535E-03 Metallicity 0.4872855E+00 Ellipticity 0.1818573E+00 Gb(Abramov) 0.3266137E-02 Vb(Abramov) -0.2165085E-02 Hb(Abramov) 0.1101051E-02 Ex_ueg -0.5518201E-03 Ec_ueg -0.1262801E-03 Delta_ex -0.1058801E-02 Delta_ec 0.9195180E-03 Delta_et -0.4693409E-02 Pxc 0.4369812E+01 Qxc -0.1151474E+01 3,-1 108 3 -1 0.246694 -1.203238 -1.921054 Rho 0.6482178E-02 |GRAD(Rho)| 0.1051554E-17 GRAD(Rho)x 0.7603654E-19 GRAD(Rho)y 0.1002817E-17 GRAD(Rho)z -0.3071514E-18 Laplacian 0.2566289E-01 (-1/4)Del**2(Rho)) -0.6415723E-02 Diamond 0.1018173E-02 Metallicity 0.6051214E+00 Ellipticity 0.4320484E+00 Gb(Abramov) 0.4924197E-02 Vb(Abramov) -0.3432671E-02 Hb(Abramov) 0.1491526E-02 Ex_ueg -0.8926468E-03 Ec_ueg -0.2112442E-03 Delta_ex -0.1454132E-02 Delta_ec 0.1006897E-02 Delta_et -0.5833120E-02 Pxc 0.4225663E+01 Qxc -0.1444172E+01 3,-1 109 3 +1 0.389483 -1.783166 -0.710554 Rho 0.7237434E-02 |GRAD(Rho)| 0.6995892E-17 GRAD(Rho)x -0.1272334E-17 GRAD(Rho)y -0.6877117E-17 GRAD(Rho)z 0.1701047E-18 Laplacian 0.2780767E-01 (-1/4)Del**2(Rho)) -0.6951916E-02 Diamond 0.7602294E-03 Metallicity 0.6710522E+00 Ellipticity -0.1802052E+01 Gb(Abramov) 0.5412127E-02 Vb(Abramov) -0.3872338E-02 Hb(Abramov) 0.1539789E-02 Ex_ueg -0.1033946E-02 Ec_ueg -0.2444340E-03 Delta_ex -0.1313931E-02 Delta_ec 0.5652432E-03 Delta_et -0.3546894E-02 Pxc 0.4229961E+01 Qxc -0.2324541E+01 3,+1 110 3 +3 0.023686 -0.077079 2.299263 Rho 0.4529925E-02 |GRAD(Rho)| 0.4382512E-15 GRAD(Rho)x 0.2259322E-15 GRAD(Rho)y -0.3478120E-15 GRAD(Rho)z 0.1415824E-15 Laplacian 0.1854886E-01 (-1/4)Del**2(Rho)) -0.4637215E-02 Diamond 0.1566034E-03 Metallicity 0.4607312E+00 Ellipticity -0.3947548E+00 Gb(Abramov) 0.3447562E-02 Vb(Abramov) -0.2257908E-02 Hb(Abramov) 0.1189653E-02 Ex_ueg -0.5535707E-03 Ec_ueg -0.1267400E-03 Delta_ex -0.6695936E-03 Delta_ec 0.1638631E-03 Delta_et -0.1035431E-02 Pxc 0.4367767E+01 Qxc -0.4086298E+01 3,+3 111 3 +1 0.500752 -0.766595 -1.760505 Rho 0.5858275E-02 |GRAD(Rho)| 0.6067748E-17 GRAD(Rho)x 0.3734545E-17 GRAD(Rho)y 0.3483232E-17 GRAD(Rho)z -0.3276863E-17 Laplacian 0.2286865E-01 (-1/4)Del**2(Rho)) -0.5717162E-02 Diamond 0.4886657E-03 Metallicity 0.5736613E+00 Ellipticity -0.1677084E+01 Gb(Abramov) 0.4358060E-02 Vb(Abramov) -0.2998959E-02 Hb(Abramov) 0.1359102E-02 Ex_ueg -0.7799702E-03 Ec_ueg -0.1840328E-03 Delta_ex -0.1043965E-02 Delta_ec 0.4902309E-03 Delta_et -0.2882884E-02 Pxc 0.4238213E+01 Qxc -0.2129538E+01 3,+1 112 3 -1 -0.512931 0.431703 0.444987 Rho 0.1770291E+00 |GRAD(Rho)| 0.6275817E-14 GRAD(Rho)x 0.3382711E-14 GRAD(Rho)y -0.3639450E-14 GRAD(Rho)z -0.3833739E-14 Laplacian 0.4632383E+00 (-1/4)Del**2(Rho)) -0.1158096E+00 Diamond 0.1166153E+01 Metallicity 0.8302648E+01 Ellipticity 0.6126217E-02 Gb(Abramov) 0.2374608E+00 Vb(Abramov) -0.3591119E+00 Hb(Abramov) -0.1216512E+00 Ex_ueg -0.7341387E-01 Ec_ueg -0.1019568E-01 Delta_ex -0.5200387E-01 Delta_ec 0.1156308E-01 Delta_et -0.1579887E+00 Pxc 0.7200490E+01 Qxc -0.4497406E+01 3,-1 113 3 -1 -0.534088 1.737705 1.692311 Rho 0.4938284E-01 |GRAD(Rho)| 0.2699409E-15 GRAD(Rho)x -0.1083677E-15 GRAD(Rho)y -0.1765369E-15 GRAD(Rho)z -0.1730874E-15 Laplacian 0.1981804E+00 (-1/4)Del**2(Rho)) -0.4954511E-01 Diamond 0.9786163E-01 Metallicity 0.2311244E+01 Ellipticity 0.2909713E-01 Gb(Abramov) 0.5211521E-01 Vb(Abramov) -0.5468532E-01 Hb(Abramov) -0.2570105E-02 Ex_ueg -0.1338094E-01 Ec_ueg -0.2380788E-02 Delta_ex -0.1622152E-01 Delta_ec 0.5833607E-02 Delta_et -0.6129515E-01 Pxc 0.5620381E+01 Qxc -0.2780702E+01 3,-1 114 3 -1 -0.609381 -2.826252 1.824643 Rho 0.1629842E+00 |GRAD(Rho)| 0.3447427E-12 GRAD(Rho)x 0.2574914E-12 GRAD(Rho)y -0.8111133E-14 GRAD(Rho)z 0.2290849E-12 Laplacian 0.6732291E+00 (-1/4)Del**2(Rho)) -0.1683073E+00 Diamond 0.1477249E+01 Metallicity 0.4977669E+01 Ellipticity 0.4148837E-01 Gb(Abramov) 0.2518345E+00 Vb(Abramov) -0.3353617E+00 Hb(Abramov) -0.8352722E-01 Ex_ueg -0.6575250E-01 Ec_ueg -0.9279804E-02 Delta_ex -0.7352895E-01 Delta_ec 0.1624932E-01 Delta_et -0.2174454E+00 Pxc 0.7085549E+01 Qxc -0.4525049E+01 3,-1 115 3 +3 2.301920 -0.007588 0.030276 Rho 0.4241750E-02 |GRAD(Rho)| 0.7677521E-17 GRAD(Rho)x -0.5354668E-17 GRAD(Rho)y 0.3084977E-17 GRAD(Rho)z -0.4555741E-17 Laplacian 0.1724321E-01 (-1/4)Del**2(Rho)) -0.4310802E-02 Diamond 0.1316288E-03 Metallicity 0.4441915E+00 Ellipticity -0.3396158E+00 Gb(Abramov) 0.3193005E-02 Vb(Abramov) -0.2075208E-02 Hb(Abramov) 0.1117797E-02 Ex_ueg -0.5071213E-03 Ec_ueg -0.1144296E-03 Delta_ex -0.6103060E-03 Delta_ec 0.1491760E-03 Delta_et -0.9326188E-03 Pxc 0.4431732E+01 Qxc -0.4091181E+01 3,+3 116 3 -1 0.504517 -1.825242 1.677737 Rho 0.4327009E-01 |GRAD(Rho)| 0.7492862E-15 GRAD(Rho)x 0.5416915E-15 GRAD(Rho)y -0.4637901E-15 GRAD(Rho)z -0.2299974E-15 Laplacian 0.1777530E+00 (-1/4)Del**2(Rho)) -0.4443825E-01 Diamond 0.7553233E-01 Metallicity 0.2067486E+01 Ellipticity 0.2302350E-01 Gb(Abramov) 0.4493807E-01 Vb(Abramov) -0.4543790E-01 Hb(Abramov) -0.4998242E-03 Ex_ueg -0.1121938E-01 Ec_ueg -0.2046393E-02 Delta_ex -0.1418950E-01 Delta_ec 0.5442023E-02 Delta_et -0.5526010E-01 Pxc 0.5482513E+01 Qxc -0.2607395E+01 3,-1 117 3 +1 -0.210195 -2.349347 -1.087687 Rho 0.7221199E-02 |GRAD(Rho)| 0.9909121E-17 GRAD(Rho)x -0.9424425E-17 GRAD(Rho)y 0.3060146E-17 GRAD(Rho)z 0.7994818E-19 Laplacian 0.2806114E-01 (-1/4)Del**2(Rho)) -0.7015285E-02 Diamond 0.7795826E-03 Metallicity 0.6625063E+00 Ellipticity -0.1783874E+01 Gb(Abramov) 0.5451469E-02 Vb(Abramov) -0.3887652E-02 Hb(Abramov) 0.1563817E-02 Ex_ueg -0.1030855E-02 Ec_ueg -0.2437177E-03 Delta_ex -0.1333612E-02 Delta_ec 0.5853769E-03 Delta_et -0.3662092E-02 Pxc 0.4229708E+01 Qxc -0.2278212E+01 3,+1 118 3 -1 -0.565032 1.811197 -2.714075 Rho 0.1261601E+00 |GRAD(Rho)| 0.3426403E-14 GRAD(Rho)x -0.1776777E-14 GRAD(Rho)y -0.2629814E-14 GRAD(Rho)z 0.1291271E-14 Laplacian 0.5301263E+00 (-1/4)Del**2(Rho)) -0.1325316E+00 Diamond 0.8626147E+00 Metallicity 0.4125126E+01 Ellipticity 0.7987398E-02 Gb(Abramov) 0.1794726E+00 Vb(Abramov) -0.2264137E+00 Hb(Abramov) -0.4694104E-01 Ex_ueg -0.4673201E-01 Ec_ueg -0.6935374E-02 Delta_ex -0.5446072E-01 Delta_ec 0.1380328E-01 Delta_et -0.1785386E+00 Pxc 0.6738210E+01 Qxc -0.3945492E+01 3,-1 119 3 -1 -0.840306 2.032368 2.975580 Rho 0.1286477E+00 |GRAD(Rho)| 0.1955213E-13 GRAD(Rho)x -0.9390261E-14 GRAD(Rho)y -0.1573994E-13 GRAD(Rho)z -0.6809040E-14 Laplacian 0.5052335E+00 (-1/4)Del**2(Rho)) -0.1263084E+00 Diamond 0.8570569E+00 Metallicity 0.4471545E+01 Ellipticity 0.3032778E-01 Gb(Abramov) 0.1783378E+00 Vb(Abramov) -0.2303673E+00 Hb(Abramov) -0.5202947E-01 Ex_ueg -0.4796461E-01 Ec_ueg -0.7091015E-02 Delta_ex -0.5233714E-01 Delta_ec 0.1343056E-01 Delta_et -0.1748958E+00 Pxc 0.6764139E+01 Qxc -0.3896870E+01 3,-1 120 3 +3 -0.031146 2.291826 -0.010357 Rho 0.4544106E-02 |GRAD(Rho)| 0.5085507E-17 GRAD(Rho)x 0.1443424E-17 GRAD(Rho)y 0.4767946E-17 GRAD(Rho)z -0.1022544E-17 Laplacian 0.1851400E-01 (-1/4)Del**2(Rho)) -0.4628500E-02 Diamond 0.1475935E-03 Metallicity 0.4640096E+00 Ellipticity -0.3345830E+00 Gb(Abramov) 0.3443611E-02 Vb(Abramov) -0.2258723E-02 Hb(Abramov) 0.1184889E-02 Ex_ueg -0.5558825E-03 Ec_ueg -0.1273469E-03 Delta_ex -0.6589775E-03 Delta_ec 0.1458896E-03 Delta_et -0.9482392E-03 Pxc 0.4365105E+01 Qxc -0.4516960E+01 3,+3 121 3 -1 -0.612829 2.824797 -1.742536 Rho 0.1683352E+00 |GRAD(Rho)| 0.4726105E-13 GRAD(Rho)x 0.3306093E-13 GRAD(Rho)y -0.2844452E-14 GRAD(Rho)z -0.3365250E-13 Laplacian 0.6908795E+00 (-1/4)Del**2(Rho)) -0.1727199E+00 Diamond 0.1571439E+01 Metallicity 0.5118812E+01 Ellipticity 0.3564173E-01 Gb(Abramov) 0.2625000E+00 Vb(Abramov) -0.3522802E+00 Hb(Abramov) -0.8978014E-01 Ex_ueg -0.6864650E-01 Ec_ueg -0.9627386E-02 Delta_ex -0.7603106E-01 Delta_ec 0.1646725E-01 Delta_et -0.2209750E+00 Pxc 0.7130337E+01 Qxc -0.4617108E+01 3,-1 122 3 -1 -0.859886 3.011027 1.947686 Rho 0.1585623E+00 |GRAD(Rho)| 0.1570055E-13 GRAD(Rho)x 0.1171386E-13 GRAD(Rho)y -0.5229256E-14 GRAD(Rho)z 0.9052505E-14 Laplacian 0.6218241E+00 (-1/4)Del**2(Rho)) -0.1554560E+00 Diamond 0.1346459E+01 Metallicity 0.5147688E+01 Ellipticity 0.5190459E-01 Gb(Abramov) 0.2370105E+00 Vb(Abramov) -0.3185650E+00 Hb(Abramov) -0.8155450E-01 Ex_ueg -0.6338478E-01 Ec_ueg -0.8993858E-02 Delta_ex -0.6769386E-01 Delta_ec 0.1555023E-01 Delta_et -0.2085303E+00 Pxc 0.7047562E+01 Qxc -0.4353239E+01 3,-1 123 3 -1 0.119292 -2.017517 -1.045017 Rho 0.7847392E-02 |GRAD(Rho)| 0.4616237E-15 GRAD(Rho)x -0.3324368E-15 GRAD(Rho)y -0.3188391E-15 GRAD(Rho)z -0.3039451E-16 Laplacian 0.2993499E-01 (-1/4)Del**2(Rho)) -0.7483747E-02 Diamond 0.1459939E-02 Metallicity 0.7133614E+00 Ellipticity 0.5428925E+00 Gb(Abramov) 0.5878934E-02 Vb(Abramov) -0.4274121E-02 Hb(Abramov) 0.1604813E-02 Ex_ueg -0.1151734E-02 Ec_ueg -0.2714332E-03 Delta_ex -0.1719580E-02 Delta_ec 0.1105480E-02 Delta_et -0.6808900E-02 Pxc 0.4243158E+01 Qxc -0.1555506E+01 3,-1 124 3 -1 -0.554216 -1.872227 2.780186 Rho 0.9683617E-01 |GRAD(Rho)| 0.3426099E-15 GRAD(Rho)x 0.1818376E-15 GRAD(Rho)y -0.2750113E-15 GRAD(Rho)z -0.9319565E-16 Laplacian 0.3967484E+00 (-1/4)Del**2(Rho)) -0.9918709E-01 Diamond 0.4740351E+00 Metallicity 0.3546723E+01 Ellipticity 0.1394333E-01 Gb(Abramov) 0.1247563E+00 Vb(Abramov) -0.1503254E+00 Hb(Abramov) -0.2556917E-01 Ex_ueg -0.3284242E-01 Ec_ueg -0.5133800E-02 Delta_ex -0.3836515E-01 Delta_ec 0.1112146E-01 Delta_et -0.1372401E+00 Pxc 0.6397293E+01 Qxc -0.3449649E+01 3,-1 125 3 +1 1.669388 0.482154 0.544539 Rho 0.7370796E-02 |GRAD(Rho)| 0.1478981E-16 GRAD(Rho)x 0.4534505E-17 GRAD(Rho)y 0.1260444E-16 GRAD(Rho)z -0.6269348E-17 Laplacian 0.2860202E-01 (-1/4)Del**2(Rho)) -0.7150504E-02 Diamond 0.6434674E-03 Metallicity 0.6725746E+00 Ellipticity -0.1429124E+01 Gb(Abramov) 0.5568544E-02 Vb(Abramov) -0.3986584E-02 Hb(Abramov) 0.1581960E-02 Ex_ueg -0.1059427E-02 Ec_ueg -0.2503224E-03 Delta_ex -0.1269700E-02 Delta_ec 0.4252142E-03 Delta_et -0.2773499E-02 Pxc 0.4232248E+01 Qxc -0.2986026E+01 3,+1 126 3 +1 0.151926 -0.170970 2.948821 Rho 0.5349990E-02 |GRAD(Rho)| 0.1660860E-15 GRAD(Rho)x 0.1266934E-15 GRAD(Rho)y -0.1043099E-15 GRAD(Rho)z 0.2554953E-16 Laplacian 0.2208821E-01 (-1/4)Del**2(Rho)) -0.5522052E-02 Diamond 0.5239973E-03 Metallicity 0.5105532E+00 Ellipticity -0.2250442E+01 Gb(Abramov) 0.4151251E-02 Vb(Abramov) -0.2780451E-02 Hb(Abramov) 0.1370800E-02 Ex_ueg -0.6910705E-03 Ec_ueg -0.1620053E-03 Delta_ex -0.1078635E-02 Delta_ec 0.6347085E-03 Delta_et -0.3542100E-02 Pxc 0.4265729E+01 Qxc -0.1699417E+01 3,+1 127 3 -1 0.082598 3.240320 3.124799 Rho 0.2418744E+00 |GRAD(Rho)| 0.4052931E-15 GRAD(Rho)x 0.2390666E-16 GRAD(Rho)y -0.3250438E-15 GRAD(Rho)z -0.2409097E-15 Laplacian 0.8915156E+00 (-1/4)Del**2(Rho)) -0.2228789E+00 Diamond 0.3170768E+01 Metallicity 0.7257729E+01 Ellipticity 0.5512530E-02 Gb(Abramov) 0.4181850E+00 Vb(Abramov) -0.6134911E+00 Hb(Abramov) -0.1953061E+00 Ex_ueg -0.1113025E+00 Ec_ueg -0.1456878E-01 Delta_ex -0.1078695E+00 Delta_ec 0.1953664E-01 Delta_et -0.2701854E+00 Pxc 0.7639795E+01 Qxc -0.5521396E+01 3,-1 128 3 -1 -0.099753 3.210224 -3.109585 Rho 0.2304649E+00 |GRAD(Rho)| 0.8535295E-14 GRAD(Rho)x 0.3767657E-14 GRAD(Rho)y 0.7658262E-14 GRAD(Rho)z 0.8397146E-16 Laplacian 0.8404540E+00 (-1/4)Del**2(Rho)) -0.2101135E+00 Diamond 0.2834530E+01 Metallicity 0.7102980E+01 Ellipticity 0.1856355E-02 Gb(Abramov) 0.3888143E+00 Vb(Abramov) -0.5675152E+00 Hb(Abramov) -0.1787008E+00 Ex_ueg -0.1043578E+00 Ec_ueg -0.1378247E-01 Delta_ex -0.1004972E+00 Delta_ec 0.1882503E-01 Delta_et -0.2604953E+00 Pxc 0.7571776E+01 Qxc -0.5338489E+01 3,-1 129 3 -1 -0.562953 -0.518776 -0.525368 Rho 0.1881101E+00 |GRAD(Rho)| 0.1803445E-15 GRAD(Rho)x -0.1769418E-15 GRAD(Rho)y 0.3469447E-16 GRAD(Rho)z -0.3469447E-17 Laplacian 0.5053666E+00 (-1/4)Del**2(Rho)) -0.1263416E+00 Diamond 0.1351206E+01 Metallicity 0.8420934E+01 Ellipticity 0.2390327E-01 Gb(Abramov) 0.2615469E+00 Vb(Abramov) -0.3967521E+00 Hb(Abramov) -0.1352052E+00 Ex_ueg -0.7960395E-01 Ec_ueg -0.1092631E-01 Delta_ex -0.5747714E-01 Delta_ec 0.1218956E-01 Delta_et -0.1669674E+00 Pxc 0.7285530E+01 Qxc -0.4715276E+01 3,-1 130 3 -1 0.407650 -0.532800 0.418390 Rho 0.1800662E+00 |GRAD(Rho)| 0.1525768E-15 GRAD(Rho)x -0.4510281E-16 GRAD(Rho)y -0.3469447E-17 GRAD(Rho)z -0.1457168E-15 Laplacian 0.4730274E+00 (-1/4)Del**2(Rho)) -0.1182568E+00 Diamond 0.1215676E+01 Metallicity 0.8364635E+01 Ellipticity 0.4172666E-02 Gb(Abramov) 0.2437005E+00 Vb(Abramov) -0.3691441E+00 Hb(Abramov) -0.1254436E+00 Ex_ueg -0.7509791E-01 Ec_ueg -0.1039523E-01 Delta_ex -0.5333165E-01 Delta_ec 0.1175971E-01 Delta_et -0.1610008E+00 Pxc 0.7224269E+01 Qxc -0.4535116E+01 3,-1 131 3 +1 1.680967 -0.540520 -0.567973 Rho 0.8068323E-02 |GRAD(Rho)| 0.9224472E-17 GRAD(Rho)x 0.4179165E-17 GRAD(Rho)y 0.1758132E-17 GRAD(Rho)z -0.8033332E-17 Laplacian 0.3126045E-01 (-1/4)Del**2(Rho)) -0.7815112E-02 Diamond 0.7690355E-03 Metallicity 0.7154678E+00 Ellipticity -0.1429917E+01 Gb(Abramov) 0.6141984E-02 Vb(Abramov) -0.4468857E-02 Hb(Abramov) 0.1673127E-02 Ex_ueg -0.1195169E-02 Ec_ueg -0.2812545E-03 Delta_ex -0.1406320E-02 Delta_ec 0.4417431E-03 Delta_et -0.2968516E-02 Pxc 0.4249422E+01 Qxc -0.3183570E+01 3,+1 132 3 +1 0.530887 0.452333 1.632661 Rho 0.8460453E-02 |GRAD(Rho)| 0.3159412E-13 GRAD(Rho)x -0.2697215E-13 GRAD(Rho)y 0.9296999E-14 GRAD(Rho)z -0.1357414E-13 Laplacian 0.3344004E-01 (-1/4)Del**2(Rho)) -0.8360010E-02 Diamond 0.8873258E-03 Metallicity 0.7238841E+00 Ellipticity -0.1439952E+01 Gb(Abramov) 0.6581953E-02 Vb(Abramov) -0.4803896E-02 Hb(Abramov) 0.1778057E-02 Ex_ueg -0.1273239E-02 Ec_ueg -0.2987407E-03 Delta_ex -0.1526961E-02 Delta_ec 0.4805513E-03 Delta_et -0.3262592E-02 Pxc 0.4262019E+01 Qxc -0.3177519E+01 3,+1 133 3 -1 0.416688 0.419989 -0.509052 Rho 0.1808514E+00 |GRAD(Rho)| 0.1592490E-11 GRAD(Rho)x -0.9418334E-12 GRAD(Rho)y -0.9314216E-12 GRAD(Rho)z 0.8839839E-12 Laplacian 0.4773859E+00 (-1/4)Del**2(Rho)) -0.1193465E+00 Diamond 0.1232591E+01 Metallicity 0.8348596E+01 Ellipticity 0.2226221E-02 Gb(Abramov) 0.2456269E+00 Vb(Abramov) -0.3719073E+00 Hb(Abramov) -0.1262804E+00 Ex_ueg -0.7553489E-01 Ec_ueg -0.1044691E-01 Delta_ex -0.5387621E-01 Delta_ec 0.1184473E-01 Delta_et -0.1622153E+00 Pxc 0.7230359E+01 Qxc -0.4548537E+01 3,-1 134 3 +1 1.124581 -1.317399 2.179142 Rho 0.2421622E-01 |GRAD(Rho)| 0.4324542E-14 GRAD(Rho)x 0.4195421E-15 GRAD(Rho)y -0.4040435E-14 GRAD(Rho)z -0.1483420E-14 Laplacian 0.9485157E-01 (-1/4)Del**2(Rho)) -0.2371289E-01 Diamond 0.1280642E-01 Metallicity 0.1472581E+01 Ellipticity -0.5870067E+01 Gb(Abramov) 0.2162845E-01 Vb(Abramov) -0.1954402E-01 Hb(Abramov) 0.2084439E-02 Ex_ueg -0.5174402E-02 Ec_ueg -0.1049333E-02 Delta_ex -0.5955059E-02 Delta_ec 0.1798331E-02 Delta_et -0.1570274E-01 Pxc 0.4931132E+01 Qxc -0.3311437E+01 3,+1 135 3 -1 0.793481 -2.051360 2.996041 Rho 0.1095459E+00 |GRAD(Rho)| 0.3630806E-14 GRAD(Rho)x -0.1734995E-14 GRAD(Rho)y -0.2902084E-14 GRAD(Rho)z -0.1323049E-14 Laplacian 0.4238653E+00 (-1/4)Del**2(Rho)) -0.1059663E+00 Diamond 0.5859291E+00 Metallicity 0.4077361E+01 Ellipticity 0.2480768E-01 Gb(Abramov) 0.1426547E+00 Vb(Abramov) -0.1793431E+00 Hb(Abramov) -0.3668838E-01 Ex_ueg -0.3871211E-01 Ec_ueg -0.5906853E-02 Delta_ex -0.4216105E-01 Delta_ec 0.1151384E-01 Delta_et -0.1454656E+00 Pxc 0.6553761E+01 Qxc -0.3661772E+01 3,-1 136 3 -1 0.546738 1.829613 2.705137 Rho 0.1460053E+00 |GRAD(Rho)| 0.1098126E-13 GRAD(Rho)x -0.6873503E-14 GRAD(Rho)y 0.8426392E-14 GRAD(Rho)z -0.1529342E-14 Laplacian 0.6135347E+00 (-1/4)Del**2(Rho)) -0.1533837E+00 Diamond 0.1200342E+01 Metallicity 0.4546967E+01 Ellipticity 0.8151281E-02 Gb(Abramov) 0.2184942E+00 Vb(Abramov) -0.2836047E+00 Hb(Abramov) -0.6511053E-01 Ex_ueg -0.5678190E-01 Ec_ueg -0.8188289E-02 Delta_ex -0.6541859E-01 Delta_ec 0.1560985E-01 Delta_et -0.2068704E+00 Pxc 0.6934526E+01 Qxc -0.4190854E+01 3,-1 137 3 -1 0.483586 1.730597 -1.683879 Rho 0.4768531E-01 |GRAD(Rho)| 0.1092460E-15 GRAD(Rho)x 0.9886484E-16 GRAD(Rho)y -0.4611967E-16 GRAD(Rho)z 0.5780153E-17 Laplacian 0.1933956E+00 (-1/4)Del**2(Rho)) -0.4834889E-01 Diamond 0.9367732E-01 Metallicity 0.2234298E+01 Ellipticity 0.2832167E-01 Gb(Abramov) 0.5023690E-01 Vb(Abramov) -0.5212490E-01 Hb(Abramov) -0.1888008E-02 Ex_ueg -0.1277119E-01 Ec_ueg -0.2287332E-02 Delta_ex -0.1581104E-01 Delta_ec 0.5908547E-02 Delta_et -0.6157058E-01 Pxc 0.5583443E+01 Qxc -0.2675961E+01 3,-1 138 3 +1 1.909529 -1.796753 -1.726900 Rho 0.1451079E-01 |GRAD(Rho)| 0.1726366E-16 GRAD(Rho)x -0.1194667E-16 GRAD(Rho)y -0.1209060E-16 GRAD(Rho)z -0.3021330E-17 Laplacian 0.6635680E-01 (-1/4)Del**2(Rho)) -0.1658920E-01 Diamond 0.3593084E-02 Metallicity 0.8964911E+00 Ellipticity -0.1473257E+01 Gb(Abramov) 0.1353814E-01 Vb(Abramov) -0.1048709E-01 Hb(Abramov) 0.3051055E-02 Ex_ueg -0.2614004E-02 Ec_ueg -0.5766817E-03 Delta_ex -0.3462336E-02 Delta_ec 0.9179625E-03 Delta_et -0.7168718E-02 Pxc 0.4532837E+01 Qxc -0.3771762E+01 3,+1 139 3 -1 0.843119 2.979080 -1.955815 Rho 0.1476977E+00 |GRAD(Rho)| 0.1863350E-15 GRAD(Rho)x -0.9461019E-16 GRAD(Rho)y 0.8618730E-16 GRAD(Rho)z -0.1354304E-15 Laplacian 0.5696669E+00 (-1/4)Del**2(Rho)) -0.1424167E+00 Diamond 0.1125719E+01 Metallicity 0.4992082E+01 Ellipticity 0.6732124E-01 Gb(Abramov) 0.2134372E+00 Vb(Abramov) -0.2844576E+00 Hb(Abramov) -0.7102043E-01 Ex_ueg -0.5766116E-01 Ec_ueg -0.8296298E-02 Delta_ex -0.6086905E-01 Delta_ec 0.1437380E-01 Delta_et -0.1906229E+00 Pxc 0.6950229E+01 Qxc -0.4234723E+01 3,-1 140 3 -1 0.567218 2.816817 1.734764 Rho 0.1458755E+00 |GRAD(Rho)| 0.1645877E-15 GRAD(Rho)x -0.3686287E-16 GRAD(Rho)y 0.2739643E-16 GRAD(Rho)z 0.1580496E-15 Laplacian 0.6064603E+00 (-1/4)Del**2(Rho)) -0.1516151E+00 Diamond 0.1191145E+01 Metallicity 0.4593192E+01 Ellipticity 0.1618058E-01 Gb(Abramov) 0.2171429E+00 Vb(Abramov) -0.2826708E+00 Hb(Abramov) -0.6552784E-01 Ex_ueg -0.5671459E-01 Ec_ueg -0.8180010E-02 Delta_ex -0.6471128E-01 Delta_ec 0.1554235E-01 Delta_et -0.2061922E+00 Pxc 0.6933315E+01 Qxc -0.4163545E+01 3,-1 141 3 -1 1.683009 -0.614588 1.746050 Rho 0.3853467E-01 |GRAD(Rho)| 0.4806984E-16 GRAD(Rho)x 0.4253799E-16 GRAD(Rho)y 0.1662747E-16 GRAD(Rho)z 0.1499185E-16 Laplacian 0.1589147E+00 (-1/4)Del**2(Rho)) -0.3972867E-01 Diamond 0.5742575E-01 Metallicity 0.1906347E+01 Ellipticity 0.4083414E-01 Gb(Abramov) 0.3910855E-01 Vb(Abramov) -0.3848843E-01 Hb(Abramov) 0.6201214E-03 Ex_ueg -0.9612888E-02 Ec_ueg -0.1791679E-02 Delta_ex -0.1231230E-01 Delta_ec 0.4840606E-02 Delta_et -0.4763329E-01 Pxc 0.5365297E+01 Qxc -0.2543545E+01 3,-1 142 3 +1 2.034453 1.975552 -2.044327 Rho 0.1166243E-01 |GRAD(Rho)| 0.7727930E-14 GRAD(Rho)x -0.4580412E-14 GRAD(Rho)y -0.4463036E-14 GRAD(Rho)z 0.4338438E-14 Laplacian 0.5415160E-01 (-1/4)Del**2(Rho)) -0.1353790E-01 Diamond 0.1657867E-02 Metallicity 0.7632207E+00 Ellipticity -0.1115150E+01 Gb(Abramov) 0.1074733E-01 Vb(Abramov) -0.7956769E-02 Hb(Abramov) 0.2790566E-02 Ex_ueg -0.1953306E-02 Ec_ueg -0.4440080E-03 Delta_ex -0.2513152E-02 Delta_ec 0.4731024E-03 Delta_et -0.3701997E-02 Pxc 0.4399259E+01 Qxc -0.5312067E+01 3,+1 143 3 -1 0.866291 -3.067165 1.999356 Rho 0.1660460E+00 |GRAD(Rho)| 0.6378706E-15 GRAD(Rho)x -0.4413245E-15 GRAD(Rho)y 0.3246237E-15 GRAD(Rho)z 0.3266972E-15 Laplacian 0.6352317E+00 (-1/4)Del**2(Rho)) -0.1588079E+00 Diamond 0.1441424E+01 Metallicity 0.5441621E+01 Ellipticity 0.7660669E-01 Gb(Abramov) 0.2499007E+00 Vb(Abramov) -0.3409935E+00 Hb(Abramov) -0.9109279E-01 Ex_ueg -0.6740461E-01 Ec_ueg -0.9478480E-02 Delta_ex -0.6984234E-01 Delta_ec 0.1550764E-01 Delta_et -0.2086470E+00 Pxc 0.7111331E+01 Qxc -0.4503738E+01 3,-1 144 3 -1 1.209637 -2.323117 -1.961284 Rho 0.4433021E-01 |GRAD(Rho)| 0.1007405E-15 GRAD(Rho)x 0.9540869E-16 GRAD(Rho)y 0.2573874E-16 GRAD(Rho)z -0.1957913E-16 Laplacian 0.1224199E+00 (-1/4)Del**2(Rho)) -0.3060498E-01 Diamond 0.8105411E-01 Metallicity 0.3125557E+01 Ellipticity 0.1630989E-01 Gb(Abramov) 0.3634625E-01 Vb(Abramov) -0.4208753E-01 Hb(Abramov) -0.5741274E-02 Ex_ueg -0.1158737E-01 Ec_ueg -0.2103953E-02 Delta_ex -0.1121244E-01 Delta_ec 0.6213324E-02 Delta_et -0.6395428E-01 Pxc 0.5507428E+01 Qxc -0.1804580E+01 3,-1 145 3 +1 1.081361 1.351682 -2.212185 Rho 0.2510718E-01 |GRAD(Rho)| 0.9642476E-15 GRAD(Rho)x -0.5445616E-15 GRAD(Rho)y 0.7523963E-15 GRAD(Rho)z -0.2590867E-15 Laplacian 0.9891289E-01 (-1/4)Del**2(Rho)) -0.2472822E-01 Diamond 0.1309280E-01 Metallicity 0.1499766E+01 Ellipticity -0.3556267E+01 Gb(Abramov) 0.2266657E-01 Vb(Abramov) -0.2060492E-01 Hb(Abramov) 0.2061649E-02 Ex_ueg -0.5429781E-02 Ec_ueg -0.1094112E-02 Delta_ex -0.6167484E-02 Delta_ec 0.1693839E-02 Delta_et -0.1496397E-01 Pxc 0.4962728E+01 Qxc -0.3641128E+01 3,+1 146 3 +1 1.745618 1.779228 1.709619 Rho 0.1217954E-01 |GRAD(Rho)| 0.2364441E-16 GRAD(Rho)x -0.1550996E-16 GRAD(Rho)y 0.1643853E-16 GRAD(Rho)z -0.6947960E-17 Laplacian 0.6036217E-01 (-1/4)Del**2(Rho)) -0.1509054E-01 Diamond 0.2452574E-02 Metallicity 0.7360370E+00 Ellipticity -0.1267369E+01 Gb(Abramov) 0.1191156E-01 Vb(Abramov) -0.8732580E-02 Hb(Abramov) 0.3178981E-02 Ex_ueg -0.2069630E-02 Ec_ueg -0.4678634E-03 Delta_ex -0.2974209E-02 Delta_ec 0.7754482E-03 Delta_et -0.5841851E-02 Pxc 0.4423578E+01 Qxc -0.3835471E+01 3,+1 147 3 +1 1.435234 2.119273 -1.033256 Rho 0.2652980E-01 |GRAD(Rho)| 0.7099961E-16 GRAD(Rho)x 0.4518339E-16 GRAD(Rho)y 0.5060296E-16 GRAD(Rho)z -0.2094630E-16 Laplacian 0.1043628E+00 (-1/4)Del**2(Rho)) -0.2609069E-01 Diamond 0.1369326E-01 Metallicity 0.1558203E+01 Ellipticity -0.2758369E+01 Gb(Abramov) 0.2416956E-01 Vb(Abramov) -0.2224843E-01 Hb(Abramov) 0.1921132E-02 Ex_ueg -0.5843821E-02 Ec_ueg -0.1166041E-02 Delta_ex -0.6482468E-02 Delta_ec 0.1570421E-02 Delta_et -0.1410209E-01 Pxc 0.5011676E+01 Qxc -0.4127853E+01 3,+1 148 3 +1 2.171664 1.121092 -1.323194 Rho 0.2490788E-01 |GRAD(Rho)| 0.8329494E-17 GRAD(Rho)x 0.2854794E-17 GRAD(Rho)y 0.5385273E-17 GRAD(Rho)z -0.5677099E-17 Laplacian 0.9978410E-01 (-1/4)Del**2(Rho)) -0.2494602E-01 Diamond 0.1444879E-01 Metallicity 0.1467055E+01 Ellipticity -0.7861363E+01 Gb(Abramov) 0.2273022E-01 Vb(Abramov) -0.2051441E-01 Hb(Abramov) 0.2215810E-02 Ex_ueg -0.5372388E-02 Ec_ueg -0.1084077E-02 Delta_ex -0.6359730E-02 Delta_ec 0.1978596E-02 Delta_et -0.1738275E-01 Pxc 0.4955725E+01 Qxc -0.3214264E+01 3,+1 149 3 -1 1.214515 -1.797787 -2.549370 Rho 0.3096163E+00 |GRAD(Rho)| 0.4218682E-15 GRAD(Rho)x 0.2572243E-15 GRAD(Rho)y -0.3214092E-15 GRAD(Rho)z 0.9222029E-16 Laplacian -0.1551124E+01 (-1/4)Del**2(Rho)) 0.3877810E+00 Diamond 0.5310412E+01 Metallicity -0.6295153E+01 Ellipticity 0.5405293E-02 Gb(Abramov) 0.1483361E+00 Vb(Abramov) -0.6844532E+00 Hb(Abramov) -0.5361171E+00 Ex_ueg -0.1546975E+00 Ec_ueg -0.1938441E-01 Delta_ex 0.1520959E+00 Delta_ec 0.5479790E-01 Delta_et -0.1280839E+01 Pxc 0.7980512E+01 Qxc 0.2775580E+01 3,-1 150 3 -1 1.696107 -1.752733 0.435027 Rho 0.4563043E-01 |GRAD(Rho)| 0.1157278E-15 GRAD(Rho)x 0.1017278E-15 GRAD(Rho)y -0.2914217E-16 GRAD(Rho)z -0.4685193E-16 Laplacian 0.1835568E+00 (-1/4)Del**2(Rho)) -0.4588920E-01 Diamond 0.8437892E-01 Metallicity 0.2187427E+01 Ellipticity 0.1662713E-01 Gb(Abramov) 0.4732268E-01 Vb(Abramov) -0.4875617E-01 Hb(Abramov) -0.1433483E-02 Ex_ueg -0.1204272E-01 Ec_ueg -0.2174803E-02 Delta_ex -0.1487368E-01 Delta_ec 0.5664786E-02 Delta_et -0.5835503E-01 Pxc 0.5537383E+01 Qxc -0.2625639E+01 3,-1 151 3 +1 1.400482 -2.231381 1.022956 Rho 0.2620840E-01 |GRAD(Rho)| 0.2137793E-14 GRAD(Rho)x 0.1532287E-14 GRAD(Rho)y -0.5334650E-15 GRAD(Rho)z -0.1392002E-14 Laplacian 0.1026444E+00 (-1/4)Del**2(Rho)) -0.2566111E-01 Diamond 0.1330029E-01 Metallicity 0.1552430E+01 Ellipticity -0.2772775E+01 Gb(Abramov) 0.2374692E-01 Vb(Abramov) -0.2183273E-01 Hb(Abramov) 0.1914190E-02 Ex_ueg -0.5749620E-02 Ec_ueg -0.1149746E-02 Delta_ex -0.6360419E-02 Delta_ec 0.1554989E-02 Delta_et -0.1392190E-01 Pxc 0.5000775E+01 Qxc -0.4090331E+01 3,+1 152 3 +1 2.154826 -1.415306 1.055513 Rho 0.2546159E-01 |GRAD(Rho)| 0.2189537E-16 GRAD(Rho)x -0.1984151E-16 GRAD(Rho)y 0.9207867E-17 GRAD(Rho)z -0.9678067E-18 Laplacian 0.9972267E-01 (-1/4)Del**2(Rho)) -0.2493067E-01 Diamond 0.1297923E-01 Metallicity 0.1522749E+01 Ellipticity -0.3127256E+01 Gb(Abramov) 0.2294764E-01 Vb(Abramov) -0.2096461E-01 Hb(Abramov) 0.1983029E-02 Ex_ueg -0.5532215E-02 Ec_ueg -0.1111982E-02 Delta_ex -0.6190630E-02 Delta_ec 0.1617268E-02 Delta_et -0.1435627E-01 Pxc 0.4975092E+01 Qxc -0.3827832E+01 3,+1 153 3 -1 3.033096 1.940633 -0.831554 Rho 0.1355516E+00 |GRAD(Rho)| 0.3699853E-15 GRAD(Rho)x -0.2541099E-17 GRAD(Rho)y 0.1161452E-16 GRAD(Rho)z -0.3697943E-15 Laplacian 0.5299521E+00 (-1/4)Del**2(Rho)) -0.1324880E+00 Diamond 0.9463696E+00 Metallicity 0.4651051E+01 Ellipticity 0.5336147E-01 Gb(Abramov) 0.1910268E+00 Vb(Abramov) -0.2495655E+00 Hb(Abramov) -0.5853876E-01 Ex_ueg -0.5142702E-01 Ec_ueg -0.7525128E-02 Delta_ex -0.5546986E-01 Delta_ec 0.1369108E-01 Delta_et -0.1793671E+00 Pxc 0.6834040E+01 Qxc -0.4051534E+01 3,-1 154 3 -1 1.745402 1.674616 -0.520007 Rho 0.3978320E-01 |GRAD(Rho)| 0.1819906E-15 GRAD(Rho)x -0.9567872E-17 GRAD(Rho)y -0.1753564E-15 GRAD(Rho)z 0.4774079E-16 Laplacian 0.1615360E+00 (-1/4)Del**2(Rho)) -0.4038400E-01 Diamond 0.6112034E-01 Metallicity 0.1977774E+01 Ellipticity 0.1020190E-01 Gb(Abramov) 0.4023440E-01 Vb(Abramov) -0.4008480E-01 Hb(Abramov) 0.1495979E-03 Ex_ueg -0.1003039E-01 Ec_ueg -0.1858444E-02 Delta_ex -0.1262348E-01 Delta_ec 0.4936351E-02 Delta_et -0.4899980E-01 Pxc 0.5397200E+01 Qxc -0.2557249E+01 3,-1 155 3 -1 1.729961 0.543067 -1.802188 Rho 0.3837052E-01 |GRAD(Rho)| 0.2591956E-12 GRAD(Rho)x 0.1233707E-12 GRAD(Rho)y 0.1408830E-12 GRAD(Rho)z -0.1792038E-12 Laplacian 0.1576927E+00 (-1/4)Del**2(Rho)) -0.3942317E-01 Diamond 0.5677185E-01 Metallicity 0.1907499E+01 Ellipticity 0.2755809E-01 Gb(Abramov) 0.3881539E-01 Vb(Abramov) -0.3820762E-01 Hb(Abramov) 0.6077794E-03 Ex_ueg -0.9558328E-02 Ec_ueg -0.1782922E-02 Delta_ex -0.1221201E-01 Delta_ec 0.4816367E-02 Delta_et -0.4734082E-01 Pxc 0.5361046E+01 Qxc -0.2535524E+01 3,-1 156 3 +3 1.942661 1.886480 -1.953628 Rho 0.1161445E-01 |GRAD(Rho)| 0.3709955E-16 GRAD(Rho)x -0.1521857E-16 GRAD(Rho)y -0.2917028E-16 GRAD(Rho)z 0.1714255E-16 Laplacian 0.5339938E-01 (-1/4)Del**2(Rho)) -0.1334985E-01 Diamond 0.1267281E-02 Metallicity 0.7686723E+00 Ellipticity -0.8316227E+00 Gb(Abramov) 0.1061017E-01 Vb(Abramov) -0.7870501E-02 Hb(Abramov) 0.2739672E-02 Ex_ueg -0.1942599E-02 Ec_ueg -0.4418000E-03 Delta_ex -0.2367274E-02 Delta_ec 0.2734518E-03 Delta_et -0.2362106E-02 Pxc 0.4397010E+01 Qxc -0.8657008E+01 3,+3 157 3 -1 1.916558 -0.899870 3.067669 Rho 0.1534359E+00 |GRAD(Rho)| 0.3054798E-11 GRAD(Rho)x 0.1770898E-11 GRAD(Rho)y 0.2099268E-11 GRAD(Rho)z -0.1337456E-11 Laplacian 0.5936161E+00 (-1/4)Del**2(Rho)) -0.1484040E+00 Diamond 0.1229401E+01 Metallicity 0.5104886E+01 Ellipticity 0.6353598E-01 Gb(Abramov) 0.2252003E+00 Vb(Abramov) -0.3019965E+00 Hb(Abramov) -0.7679625E-01 Ex_ueg -0.6066728E-01 Ec_ueg -0.8663826E-02 Delta_ex -0.6404012E-01 Delta_ec 0.1486044E-01 Delta_et -0.1981603E+00 Pxc 0.7002366E+01 Qxc -0.4309436E+01 3,-1 158 3 +1 2.983375 0.156482 -0.121672 Rho 0.5252450E-02 |GRAD(Rho)| 0.3360885E-17 GRAD(Rho)x 0.3477926E-18 GRAD(Rho)y -0.8922748E-18 GRAD(Rho)z 0.3221558E-17 Laplacian 0.2158556E-01 (-1/4)Del**2(Rho)) -0.5396391E-02 Diamond 0.5532405E-03 Metallicity 0.5066636E+00 Ellipticity -0.3774654E+01 Gb(Abramov) 0.4053286E-02 Vb(Abramov) -0.2710182E-02 Hb(Abramov) 0.1343104E-02 Ex_ueg -0.6743225E-03 Ec_ueg -0.1577929E-03 Delta_ex -0.1096888E-02 Delta_ec 0.7036192E-03 Delta_et -0.3868549E-02 Pxc 0.4273466E+01 Qxc -0.1558923E+01 3,+1 159 3 -1 1.942355 -0.597315 -2.860696 Rho 0.1443255E+00 |GRAD(Rho)| 0.1934709E-15 GRAD(Rho)x -0.4472334E-17 GRAD(Rho)y 0.1782835E-15 GRAD(Rho)z 0.7500646E-16 Laplacian 0.5453753E+00 (-1/4)Del**2(Rho)) -0.1363438E+00 Diamond 0.1066446E+01 Metallicity 0.5017524E+01 Ellipticity 0.1184883E+00 Gb(Abramov) 0.2049140E+00 Vb(Abramov) -0.2734841E+00 Hb(Abramov) -0.6857014E-01 Ex_ueg -0.5591253E-01 Ec_ueg -0.8081260E-02 Delta_ex -0.5813517E-01 Delta_ec 0.1418088E-01 Delta_et -0.1882016E+00 Pxc 0.6918789E+01 Qxc -0.4099548E+01 3,-1 160 3 -1 1.824516 -2.829074 -0.614985 Rho 0.1976613E+00 |GRAD(Rho)| 0.4313657E-15 GRAD(Rho)x -0.3860302E-15 GRAD(Rho)y -0.1087184E-15 GRAD(Rho)z -0.1588627E-15 Laplacian 0.7518275E+00 (-1/4)Del**2(Rho)) -0.1879569E+00 Diamond 0.2092908E+01 Metallicity 0.6147488E+01 Ellipticity 0.5197365E-03 Gb(Abramov) 0.3178817E+00 Vb(Abramov) -0.4478065E+00 Hb(Abramov) -0.1299248E+00 Ex_ueg -0.8503817E-01 Ec_ueg -0.1156166E-01 Delta_ex -0.8630920E-01 Delta_ec 0.1739603E-01 Delta_et -0.2377122E+00 Pxc 0.7355186E+01 Qxc -0.4961430E+01 3,-1 161 3 -1 2.001450 -2.988234 0.812184 Rho 0.8965599E-01 |GRAD(Rho)| 0.1549169E-13 GRAD(Rho)x 0.1219567E-13 GRAD(Rho)y -0.5373013E-14 GRAD(Rho)z -0.7898653E-14 Laplacian 0.3468411E+00 (-1/4)Del**2(Rho)) -0.8671028E-01 Diamond 0.3786658E+00 Metallicity 0.3568191E+01 Ellipticity 0.1837010E-01 Gb(Abramov) 0.1093733E+00 Vb(Abramov) -0.1320364E+00 Hb(Abramov) -0.2266305E-01 Ex_ueg -0.2963631E-01 Ec_ueg -0.4702832E-02 Delta_ex -0.3296969E-01 Delta_ec 0.9924017E-02 Delta_et -0.1205673E+00 Pxc 0.6301801E+01 Qxc -0.3322213E+01 3,-1 162 3 +1 1.974461 -2.028847 2.048390 Rho 0.1167459E-01 |GRAD(Rho)| 0.2402518E-16 GRAD(Rho)x -0.2198450E-16 GRAD(Rho)y -0.7183275E-17 GRAD(Rho)z -0.6503198E-17 Laplacian 0.5312479E-01 (-1/4)Del**2(Rho)) -0.1328120E-01 Diamond 0.1632332E-02 Metallicity 0.7793253E+00 Ellipticity -0.1120970E+01 Gb(Abramov) 0.1057919E-01 Vb(Abramov) -0.7877191E-02 Hb(Abramov) 0.2702004E-02 Ex_ueg -0.1956023E-02 Ec_ueg -0.4445679E-03 Delta_ex -0.2467276E-02 Delta_ec 0.4660359E-03 Delta_et -0.3645290E-02 Pxc 0.4399830E+01 Qxc -0.5294175E+01 3,+1 163 3 -1 2.039820 2.919213 -0.841781 Rho 0.1091985E+00 |GRAD(Rho)| 0.9055473E-14 GRAD(Rho)x 0.5731950E-14 GRAD(Rho)y -0.2680243E-14 GRAD(Rho)z 0.6477857E-14 Laplacian 0.4228765E+00 (-1/4)Del**2(Rho)) -0.1057191E+00 Diamond 0.5819220E+00 Metallicity 0.4065312E+01 Ellipticity 0.2890252E-01 Gb(Abramov) 0.1421096E+00 Vb(Abramov) -0.1785001E+00 Hb(Abramov) -0.3639049E-01 Ex_ueg -0.3854847E-01 Ec_ueg -0.5885554E-02 Delta_ex -0.4202497E-01 Delta_ec 0.1148420E-01 Delta_et -0.1449897E+00 Pxc 0.6549675E+01 Qxc -0.3659373E+01 3,-1 164 3 +3 1.895108 -1.953346 1.958891 Rho 0.1163926E-01 |GRAD(Rho)| 0.1351454E-16 GRAD(Rho)x 0.4631887E-18 GRAD(Rho)y -0.1327433E-16 GRAD(Rho)z 0.2494085E-17 Laplacian 0.5252314E-01 (-1/4)Del**2(Rho)) -0.1313079E-01 Diamond 0.1283564E-02 Metallicity 0.7842804E+00 Ellipticity -0.8275544E+00 Gb(Abramov) 0.1047023E-01 Vb(Abramov) -0.7809668E-02 Hb(Abramov) 0.2660559E-02 Ex_ueg -0.1948134E-02 Ec_ueg -0.4429417E-03 Delta_ex -0.2339909E-02 Delta_ec 0.2868947E-03 Delta_et -0.2443490E-02 Pxc 0.4398173E+01 Qxc -0.8155988E+01 3,+3 165 3 -1 2.950900 -0.883168 2.073209 Rho 0.1686682E+00 |GRAD(Rho)| 0.6413640E-15 GRAD(Rho)x -0.8176240E-16 GRAD(Rho)y 0.4262541E-15 GRAD(Rho)z 0.4721972E-15 Laplacian 0.6488038E+00 (-1/4)Del**2(Rho)) -0.1622009E+00 Diamond 0.1501730E+01 Metallicity 0.5468753E+01 Ellipticity 0.6339036E-01 Gb(Abramov) 0.2559734E+00 Vb(Abramov) -0.3497459E+00 Hb(Abramov) -0.9377250E-01 Ex_ueg -0.6882758E-01 Ec_ueg -0.9649067E-02 Delta_ex -0.7162765E-01 Delta_ec 0.1579842E-01 Delta_et -0.2130098E+00 Pxc 0.7133082E+01 Qxc -0.4533850E+01 3,-1 166 3 -1 2.824801 -0.510168 -1.862700 Rho 0.9518060E-01 |GRAD(Rho)| 0.1569175E-15 GRAD(Rho)x 0.2105555E-16 GRAD(Rho)y -0.1073055E-15 GRAD(Rho)z 0.1125402E-15 Laplacian 0.3801020E+00 (-1/4)Del**2(Rho)) -0.9502550E-01 Diamond 0.4419675E+00 Metallicity 0.3597165E+01 Ellipticity 0.1717423E-01 Gb(Abramov) 0.1203207E+00 Vb(Abramov) -0.1456160E+00 Hb(Abramov) -0.2529524E-01 Ex_ueg -0.3209591E-01 Ec_ueg -0.5034046E-02 Delta_ex -0.3655736E-01 Delta_ec 0.1060294E-01 Delta_et -0.1302803E+00 Pxc 0.6375767E+01 Qxc -0.3447851E+01 3,-1 167 3 -1 2.752489 0.507772 1.872326 Rho 0.9835910E-01 |GRAD(Rho)| 0.1467770E-12 GRAD(Rho)x -0.4241013E-13 GRAD(Rho)y 0.1299926E-12 GRAD(Rho)z -0.5335524E-13 Laplacian 0.4051597E+00 (-1/4)Del**2(Rho)) -0.1012899E+00 Diamond 0.4933979E+00 Metallicity 0.3564603E+01 Ellipticity 0.1054510E-01 Gb(Abramov) 0.1277030E+00 Vb(Abramov) -0.1541161E+00 Hb(Abramov) -0.2641308E-01 Ex_ueg -0.3353290E-01 Ec_ueg -0.5225760E-02 Delta_ex -0.3932265E-01 Delta_ec 0.1132191E-01 Delta_et -0.1401572E+00 Pxc 0.6416847E+01 Qxc -0.3473146E+01 3,-1 168 3 -1 2.980948 0.052794 -0.011945 Rho 0.5263764E-02 |GRAD(Rho)| 0.4668155E-17 GRAD(Rho)x 0.1041400E-17 GRAD(Rho)y 0.4006614E-17 GRAD(Rho)z 0.2157361E-17 Laplacian 0.2113597E-01 (-1/4)Del**2(Rho)) -0.5283993E-02 Diamond 0.6206467E-03 Metallicity 0.5193000E+00 Ellipticity 0.3278112E+01 Gb(Abramov) 0.3979992E-02 Vb(Abramov) -0.2675990E-02 Hb(Abramov) 0.1304002E-02 Ex_ueg -0.6762599E-03 Ec_ueg -0.1582812E-03 Delta_ex -0.1141560E-02 Delta_ec 0.8087200E-03 Delta_et -0.4402791E-02 Pxc 0.4272520E+01 Qxc -0.1411564E+01 3,-1 169 3 -1 3.020226 0.859033 -2.045682 Rho 0.1283939E+00 |GRAD(Rho)| 0.2996505E-15 GRAD(Rho)x 0.1173378E-15 GRAD(Rho)y 0.2749943E-15 GRAD(Rho)z 0.2001031E-16 Laplacian 0.5037753E+00 (-1/4)Del**2(Rho)) -0.1259438E+00 Diamond 0.8444353E+00 Metallicity 0.4469755E+01 Ellipticity 0.3344013E-01 Gb(Abramov) 0.1777856E+00 Vb(Abramov) -0.2296273E+00 Hb(Abramov) -0.5184173E-01 Ex_ueg -0.4783851E-01 Ec_ueg -0.7075119E-02 Delta_ex -0.5206179E-01 Delta_ec 0.1322031E-01 Delta_et -0.1717795E+00 Pxc 0.6761513E+01 Qxc -0.3938015E+01 3,-1 170 3 -1 3.205787 -3.163464 -0.117360 Rho 0.2254338E+00 |GRAD(Rho)| 0.7825793E-15 GRAD(Rho)x 0.7002862E-15 GRAD(Rho)y -0.3421742E-15 GRAD(Rho)z -0.7033084E-16 Laplacian 0.8224799E+00 (-1/4)Del**2(Rho)) -0.2056200E+00 Diamond 0.2701335E+01 Metallicity 0.6996050E+01 Ellipticity 0.7002161E-02 Gb(Abramov) 0.3768346E+00 Vb(Abramov) -0.5480492E+00 Hb(Abramov) -0.1712146E+00 Ex_ueg -0.1013313E+00 Ec_ueg -0.1343801E-01 Delta_ex -0.9778682E-01 Delta_ec 0.1854161E-01 Delta_et -0.2563045E+00 Pxc 0.7540651E+01 Qxc -0.5273912E+01 3,-1 171 3 -1 2.954873 -1.971924 0.821358 Rho 0.8498117E-01 |GRAD(Rho)| 0.1472028E-15 GRAD(Rho)x -0.5952778E-16 GRAD(Rho)y -0.1083796E-15 GRAD(Rho)z -0.7986843E-16 Laplacian 0.3348585E+00 (-1/4)Del**2(Rho)) -0.8371462E-01 Diamond 0.3402875E+00 Metallicity 0.3380309E+01 Ellipticity 0.4273668E-02 Gb(Abramov) 0.1029733E+00 Vb(Abramov) -0.1222320E+00 Hb(Abramov) -0.1925867E-01 Ex_ueg -0.2759404E-01 Ec_ueg -0.4424636E-02 Delta_ex -0.3139329E-01 Delta_ec 0.9600486E-02 Delta_et -0.1152216E+00 Pxc 0.6236455E+01 Qxc -0.3269969E+01 3,-1 172 3 -1 2.807516 -1.783976 -0.624034 Rho 0.1596643E+00 |GRAD(Rho)| 0.5210614E-15 GRAD(Rho)x -0.2534052E-15 GRAD(Rho)y -0.3420387E-15 GRAD(Rho)z 0.3005002E-15 Laplacian 0.6486896E+00 (-1/4)Del**2(Rho)) -0.1621724E+00 Diamond 0.1392445E+01 Metallicity 0.4991783E+01 Ellipticity 0.2626722E-01 Gb(Abramov) 0.2430365E+00 Vb(Abramov) -0.3239006E+00 Hb(Abramov) -0.8086412E-01 Ex_ueg -0.6397280E-01 Ec_ueg -0.9065009E-02 Delta_ex -0.7052060E-01 Delta_ec 0.1580227E-01 Delta_et -0.2111106E+00 Pxc 0.7057114E+01 Qxc -0.4462687E+01 3,-1 173 3 -1 2.807775 1.773158 0.602876 Rho 0.1620147E+00 |GRAD(Rho)| 0.1765135E-13 GRAD(Rho)x -0.9866443E-15 GRAD(Rho)y 0.1300994E-13 GRAD(Rho)z -0.1188857E-13 Laplacian 0.6788803E+00 (-1/4)Del**2(Rho)) -0.1697201E+00 Diamond 0.1473769E+01 Metallicity 0.4887394E+01 Ellipticity 0.3891239E-01 Gb(Abramov) 0.2513948E+00 Vb(Abramov) -0.3330696E+00 Hb(Abramov) -0.8167477E-01 Ex_ueg -0.6523153E-01 Ec_ueg -0.9217012E-02 Delta_ex -0.7398860E-01 Delta_ec 0.1632680E-01 Delta_et -0.2181069E+00 Pxc 0.7077298E+01 Qxc -0.4531726E+01 3,-1 174 3 -1 3.246573 3.125510 0.087553 Rho 0.2324328E+00 |GRAD(Rho)| 0.2591883E-15 GRAD(Rho)x -0.2552754E-15 GRAD(Rho)y 0.3707971E-16 GRAD(Rho)z 0.2526191E-16 Laplacian 0.8359738E+00 (-1/4)Del**2(Rho)) -0.2089935E+00 Diamond 0.2857433E+01 Metallicity 0.7242959E+01 Ellipticity 0.3739717E-02 Gb(Abramov) 0.3916175E+00 Vb(Abramov) -0.5742415E+00 Hb(Abramov) -0.1826240E+00 Ex_ueg -0.1055476E+00 Ec_ueg -0.1391758E-01 Delta_ex -0.1002328E+00 Delta_ec 0.1876785E-01 Delta_et -0.2601808E+00 Pxc 0.7583758E+01 Qxc -0.5340668E+01 3,-1 175 3 -1 3.256123 0.034218 -3.283922 Rho 0.2311737E+00 |GRAD(Rho)| 0.1286865E-12 GRAD(Rho)x -0.9520168E-13 GRAD(Rho)y 0.2062985E-13 GRAD(Rho)z 0.8409088E-13 Laplacian 0.8308200E+00 (-1/4)Del**2(Rho)) -0.2077050E+00 Diamond 0.2819845E+01 Metallicity 0.7222210E+01 Ellipticity 0.1731139E-02 Gb(Abramov) 0.3884849E+00 Vb(Abramov) -0.5692647E+00 Hb(Abramov) -0.1807799E+00 Ex_ueg -0.1047859E+00 Ec_ueg -0.1383111E-01 Delta_ex -0.9946616E-01 Delta_ec 0.1866691E-01 Delta_et -0.2586552E+00 Pxc 0.7576103E+01 Qxc -0.5328475E+01 3,-1 176 3 -1 -3.098741 -1.968009 -0.888521 Rho 0.1557502E+00 |GRAD(Rho)| 0.1809744E-13 GRAD(Rho)x -0.4497460E-14 GRAD(Rho)y -0.3103935E-15 GRAD(Rho)z -0.1752694E-13 Laplacian 0.5961134E+00 (-1/4)Del**2(Rho)) -0.1490284E+00 Diamond 0.1259480E+01 Metallicity 0.5211929E+01 Ellipticity 0.8296111E-01 Gb(Abramov) 0.2288064E+00 Vb(Abramov) -0.3085845E+00 Hb(Abramov) -0.7977808E-01 Ex_ueg -0.6189037E-01 Ec_ueg -0.8812618E-02 Delta_ex -0.6457172E-01 Delta_ec 0.1490931E-01 Delta_et -0.1993090E+00 Pxc 0.7022927E+01 Qxc -0.4330965E+01 3,-1 177 3 -1 -3.328008 3.113122 -0.015901 Rho 0.2280445E+00 |GRAD(Rho)| 0.3215566E-13 GRAD(Rho)x 0.2663110E-13 GRAD(Rho)y -0.1688753E-13 GRAD(Rho)z -0.6291463E-14 Laplacian 0.8274390E+00 (-1/4)Del**2(Rho)) -0.2068598E+00 Diamond 0.2754300E+01 Metallicity 0.7088859E+01 Ellipticity 0.1067761E-01 Gb(Abramov) 0.3823065E+00 Vb(Abramov) -0.5577532E+00 Hb(Abramov) -0.1754467E+00 Ex_ueg -0.1028990E+00 Ec_ueg -0.1361658E-01 Delta_ex -0.9866368E-01 Delta_ec 0.1857903E-01 Delta_et -0.2569173E+00 Pxc 0.7556891E+01 Qxc -0.5310485E+01 3,-1 178 3 -1 -2.854238 1.769824 -0.507609 Rho 0.1899065E+00 |GRAD(Rho)| 0.1351563E-10 GRAD(Rho)x -0.2058551E-11 GRAD(Rho)y -0.9587472E-11 GRAD(Rho)z -0.9301342E-11 Laplacian 0.7586785E+00 (-1/4)Del**2(Rho)) -0.1896696E+00 Diamond 0.1992930E+01 Metallicity 0.5698865E+01 Ellipticity 0.2970101E-01 Gb(Abramov) 0.3065967E+00 Vb(Abramov) -0.4235238E+00 Hb(Abramov) -0.1169271E+00 Ex_ueg -0.8061913E-01 Ec_ueg -0.1104541E-01 Delta_ex -0.8606681E-01 Delta_ec 0.1748897E-01 Delta_et -0.2373439E+00 Pxc 0.7298880E+01 Qxc -0.4921206E+01 3,-1 179 3 -1 -0.013467 -3.304499 -1.171429 Rho 0.2505272E-01 |GRAD(Rho)| 0.2602635E-16 GRAD(Rho)x -0.2451679E-16 GRAD(Rho)y 0.8454448E-17 GRAD(Rho)z 0.2195487E-17 Laplacian 0.8318339E-01 (-1/4)Del**2(Rho)) -0.2079585E-01 Diamond 0.2589342E-01 Metallicity 0.1776921E+01 Ellipticity 0.1025086E-01 Gb(Abramov) 0.2002266E-01 Vb(Abramov) -0.1924948E-01 Hb(Abramov) 0.7731862E-03 Ex_ueg -0.5414084E-02 Ec_ueg -0.1091369E-02 Delta_ex -0.6799070E-02 Delta_ec 0.4308570E-02 Delta_et -0.3738457E-01 Pxc 0.4960818E+01 Qxc -0.1578034E+01 3,-1 180 3 -1 -0.890596 -3.469588 -1.207035 Rho 0.3224286E+00 |GRAD(Rho)| 0.6291526E-15 GRAD(Rho)x 0.4697797E-15 GRAD(Rho)y -0.4174871E-15 GRAD(Rho)z 0.2906013E-16 Laplacian -0.1676656E+01 (-1/4)Del**2(Rho)) 0.4191640E+00 Diamond 0.5826425E+01 Metallicity -0.6231012E+01 Ellipticity 0.4071583E-02 Gb(Abramov) 0.1558600E+00 Vb(Abramov) -0.7308839E+00 Hb(Abramov) -0.5750240E+00 Ex_ueg -0.1632914E+00 Ec_ueg -0.2032376E-01 Delta_ex 0.1677737E+00 Delta_ec 0.5794146E-01 Delta_et -0.1381715E+01 Pxc 0.8034505E+01 Qxc 0.2895572E+01 3,-1 181 3 -1 1.837618 2.759504 0.545995 Rho 0.1285222E+00 |GRAD(Rho)| 0.4266478E-15 GRAD(Rho)x -0.4045023E-15 GRAD(Rho)y -0.5622605E-16 GRAD(Rho)z 0.1234703E-15 Laplacian 0.5348365E+00 (-1/4)Del**2(Rho)) -0.1337091E+00 Diamond 0.8913661E+00 Metallicity 0.4217181E+01 Ellipticity 0.7007384E-02 Gb(Abramov) 0.1831187E+00 Vb(Abramov) -0.2325282E+00 Hb(Abramov) -0.4940955E-01 Ex_ueg -0.4790224E-01 Ec_ueg -0.7083153E-02 Delta_ex -0.5520903E-01 Delta_ec 0.1389636E-01 Delta_et -0.1803437E+00 Pxc 0.6762841E+01 Qxc -0.3972913E+01 3,-1 182 3 -1 2.017135 0.867245 -3.076955 Rho 0.1708221E+00 |GRAD(Rho)| 0.6575028E-13 GRAD(Rho)x 0.3936334E-13 GRAD(Rho)y -0.4683935E-13 GRAD(Rho)z 0.2407701E-13 Laplacian 0.6599209E+00 (-1/4)Del**2(Rho)) -0.1649802E+00 Diamond 0.1549471E+01 Metallicity 0.5491548E+01 Ellipticity 0.7903415E-01 Gb(Abramov) 0.2609863E+00 Vb(Abramov) -0.3569924E+00 Hb(Abramov) -0.9600606E-01 Ex_ueg -0.7000201E-01 Ec_ueg -0.9789496E-02 Delta_ex -0.7307468E-01 Delta_ec 0.1599464E-01 Delta_et -0.2159052E+00 Pxc 0.7150727E+01 Qxc -0.4568697E+01 3,-1 183 3 -1 1.767172 0.517324 2.775138 Rho 0.1193961E+00 |GRAD(Rho)| 0.1417001E-13 GRAD(Rho)x -0.1204671E-13 GRAD(Rho)y 0.1912302E-14 GRAD(Rho)z -0.7211718E-14 Laplacian 0.5016318E+00 (-1/4)Del**2(Rho)) -0.1254079E+00 Diamond 0.7641619E+00 Metallicity 0.3976900E+01 Ellipticity 0.1058124E-01 Gb(Abramov) 0.1667278E+00 Vb(Abramov) -0.2080476E+00 Hb(Abramov) -0.4131984E-01 Ex_ueg -0.4342152E-01 Ec_ueg -0.6514292E-02 Delta_ex -0.5085934E-01 Delta_ec 0.1323848E-01 Delta_et -0.1696673E+00 Pxc 0.6665578E+01 Qxc -0.3841780E+01 3,-1 184 3 -1 3.117153 -0.003102 3.285788 Rho 0.2313037E+00 |GRAD(Rho)| 0.2151748E-15 GRAD(Rho)x -0.5155381E-16 GRAD(Rho)y 0.3661893E-16 GRAD(Rho)z 0.2056732E-15 Laplacian 0.8322882E+00 (-1/4)Del**2(Rho)) -0.2080721E+00 Diamond 0.2826515E+01 Metallicity 0.7216230E+01 Ellipticity 0.5633341E-02 Gb(Abramov) 0.3889640E+00 Vb(Abramov) -0.5698559E+00 Hb(Abramov) -0.1808919E+00 Ex_ueg -0.1048645E+00 Ec_ueg -0.1384003E-01 Delta_ex -0.9965524E-01 Delta_ec 0.1869460E-01 Delta_et -0.2590363E+00 Pxc 0.7576896E+01 Qxc -0.5330696E+01 3,-1 185 3 -1 -0.073708 -3.296142 3.156020 Rho 0.2311442E+00 |GRAD(Rho)| 0.6533472E-14 GRAD(Rho)x -0.2674889E-14 GRAD(Rho)y -0.4902220E-15 GRAD(Rho)z -0.5940615E-14 Laplacian 0.8388046E+00 (-1/4)Del**2(Rho)) -0.2097012E+00 Diamond 0.2840991E+01 Metallicity 0.7151941E+01 Ellipticity 0.2995664E-02 Gb(Abramov) 0.3897625E+00 Vb(Abramov) -0.5698238E+00 Hb(Abramov) -0.1800613E+00 Ex_ueg -0.1047681E+00 Ec_ueg -0.1382908E-01 Delta_ex -0.1003879E+00 Delta_ec 0.1879188E-01 Delta_et -0.2601547E+00 Pxc 0.7575923E+01 Qxc -0.5342087E+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 80 116 124 114 135 143 185 130 129 133 112 137 118 121 84 139 128 113 136 140 119 122 127 150 172 160 171 161 170 154 173 181 153 163 174 85 178 91 69 57 177 54 76 87 176 55 56 93 75 99 73 96 61 65 71 97 64 102 74 141 167 183 165 157 184 155 166 159 169 182 175 108 123 70 168 107 149 101 144 179 180 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 18 21 21 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 20 36 52 27 52 53 53 2.411129 2.066534 1.855752 2.027570 1.860957 1.730817 1.713348 1.693431 1.711349 1.720200 2.373086 1.956665 1.844408 2.136671 1.907840 1.732050 2.373584 1.924363 1.924023 1.985214 1.903811 1.740483 2.390976 1.866915 1.792339 2.132370 2.109855 1.740951 2.446702 1.857974 1.951002 1.940349 2.030949 1.728927 2.417632 1.800621 2.087774 1.897618 2.042406 1.736283 2.365989 1.912671 2.074326 1.885892 1.949755 1.728515 2.333483 2.266743 1.926582 2.039406 1.741094 1.744145 2.410916 1.987855 1.852882 2.030473 1.925348 1.729261 2.458104 2.058705 1.979855 1.855099 1.890735 1.730766 2.459547 2.076061 1.919341 1.961774 1.848560 1.730992 3.211031 3.101063 3.209107 3.264263 3.260813 1.004835 3.227685 1.707574 1.921632 0.994333 2.412753 2.067020 1.856446 2.028300 1.861546 1.730837 1.713358 1.693482 1.711356 1.720205 2.374784 1.957198 1.844988 2.137410 1.908603 1.732079 2.375481 1.924842 1.924496 1.985773 1.904400 1.740494 2.392702 1.867469 1.792527 2.133198 2.110570 1.740982 2.448558 1.858530 1.951541 1.941210 2.031718 1.728941 2.419075 1.801050 2.088188 1.898188 2.043182 1.736316 2.368231 1.913502 2.074876 1.886615 1.951284 1.728545 2.335844 2.267112 1.927146 2.040125 1.741123 1.744182 2.412388 1.988521 1.853526 2.031262 1.926107 1.729278 2.459963 2.059262 1.980557 1.855730 1.891344 1.730788 2.461286 2.076719 1.921154 1.962588 1.849116 1.731008 3.257568 3.106207 3.224885 3.271141 3.266412 1.004943 3.234937 1.712050 1.922388 0.994467 31 29 24 26 25 22 24 23 21 22 31 28 23 29 27 25 32 28 27 27 27 26 30 26 24 27 28 23 32 25 27 27 28 23 31 23 30 26 27 23 29 27 27 24 26 23 30 29 27 27 24 24 31 28 24 27 29 25 31 28 24 25 27 23 31 29 28 27 23 22 35 33 35 35 35 23 35 26 24 22 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 Mo As Mo W Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.3262 2.3763 2.3420 2.4554 2.2570 2.3345 2.3300 2.3229 2.2467 2.3377 2.3077 2.3000 -1.1141 -1.0428 -1.1118 -1.1225 -0.9039 -0.9175 -0.8571 -0.8921 -0.7339 -0.9347 -0.9344 -0.8869 -0.8929 -0.8984 -0.9324 -0.8387 -0.8891 -0.9133 -0.9048 -0.9100 -0.9026 -0.8807 -0.9264 -0.7120 -0.7544 -0.9399 -0.8993 -0.9047 -0.7155 -0.7163 -0.7149 -0.7918 -0.7412 -0.7114 -0.7318 -0.7034 -0.7396 -0.7123 -0.7176 0.2903 0.3201 1.9179 0.8314 1.9177 2.0911 1.9613 1.9266 1.9291 1.9567 1.9760 1.9258 1.9388 1.9378 1.9383 1.9488 1.9387 1.9344 1.9419 1.9445 1.9599 1.9452 1.8806 1.9365 1.9405 1.9465 1.9473 1.9456 1.9371 1.9729 1.9547 1.9484 1.9485 1.9489 1.9499 1.9563 1.9483 1.9744 1.8822 1.9465 1.9536 1.9504 1.9763 1.9752 1.9766 1.9655 1.9728 1.9775 1.9738 1.9772 1.9713 1.9770 1.9760 0.5474 0.5437 6.0855 1.2359 6.0832 6.0967 6.1020 6.0866 6.0733 6.0824 6.0924 6.0796 6.0904 6.0980 5.1397 5.0578 5.1367 5.1517 4.9363 4.9465 4.8687 4.9199 4.8234 4.9716 4.9687 4.9131 4.9180 4.9254 4.9667 4.8351 4.9070 4.9365 4.9284 4.9332 4.9242 4.8962 4.9479 4.7058 4.8428 4.9647 4.9175 4.9271 4.7059 4.7079 4.7052 4.7909 4.7368 4.7003 4.7257 4.6926 4.7371 4.7018 4.7083 0.1623 0.1361 3.6704 10.5563 3.6572 3.3274 3.6797 3.6522 3.6676 3.6380 3.6849 3.6568 3.6631 3.6641 0.0361 0.0361 0.0363 0.0364 0.0257 0.0265 0.0284 0.0270 0.0299 0.0267 0.0252 0.0273 0.0276 0.0275 0.0286 0.0306 0.0274 0.0283 0.0280 0.0279 0.0285 0.0281 0.0302 0.0319 0.0294 0.0288 0.0281 0.0273 0.0333 0.0332 0.0331 0.0354 0.0315 0.0336 0.0323 0.0335 0.0312 0.0334 0.0333 0.0000 0.0000 0.0000 0.0000 0.0000 14.0295 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 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 Mo As Mo W Mo Mo Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 3.166619 2.309063 3.167677 2.511084 3.141200 3.174644 3.158467 3.181657 3.151549 3.171015 3.171222 3.164989 -1.209803 -1.124647 -1.207100 -1.177507 -1.183240 -1.176820 -1.132479 -1.166565 -0.732860 -1.070889 -1.199559 -1.163222 -1.164920 -1.163886 -1.071286 -0.924441 -1.142947 -1.154614 -1.162123 -1.162668 -1.158537 -1.126809 -1.057495 -0.981114 -0.702224 -1.038064 -1.147453 -1.152590 -0.983378 -0.989658 -0.982165 -0.825077 -1.015202 -0.978424 -1.004521 -0.968652 -1.008807 -0.980156 -0.987002 0.044916 0.064802 2.380056 1.686020 2.381360 1.954475 2.340025 2.378651 2.369408 2.368623 2.362644 2.378653 2.376156 2.351488 -0.905308 -0.840250 -0.902800 -0.858608 -0.911178 -0.932132 -0.904552 -0.915216 -0.811393 -0.815263 -0.913399 -0.912364 -0.915315 -0.910060 -0.812553 -0.742584 -0.930311 -0.917387 -0.920411 -0.941851 -0.933085 -0.903919 -0.851878 -0.761298 -0.836247 -0.856411 -0.932667 -0.936950 -0.740896 -0.737458 -0.741920 -0.711529 -0.779668 -0.741410 -0.769181 -0.718085 -0.789456 -0.743092 -0.749523 0.292582 0.327469 2.458063 1.674020 2.459902 2.051657 2.408370 2.460780 2.443513 2.498481 2.444006 2.459938 2.457020 2.453311 -0.900587 -0.886134 -0.906865 -0.880160 -1.000570 -1.013450 -0.957721 -0.984423 -0.886561 -0.907645 -1.015165 -0.973514 -0.979950 -1.034480 -0.891377 -0.856533 -0.964744 -0.961003 -0.970142 -0.982541 -0.966905 -0.950540 -0.891870 -0.747563 -0.902848 -0.893292 -0.985417 -0.986872 -0.700024 -0.718277 -0.699801 -0.673675 -0.738748 -0.696492 -0.731328 -0.702371 -0.777916 -0.702289 -0.712600 0.398506 0.464825 1.46590013 -2.50690130 -0.69765082 2.98665933 -11.46856788 6.16721417 -7.01786996 8.59045574 7.34652758 2.87811214 -327.2958 408.9413 -146.9577 -343.7428 -29.4672 -438.5222 Jun13-2024 03:59:16 Nodes: 1 Procs: 1 Jun13-2024 03:59:18 Nodes: 1 Procs: 1 0 Jun13-2024 03:59:21 Nodes: 1 Procs: 1 Jun13-2024 03:59:22 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun13-2024 03:59:25 Nodes: 1 Procs: 1 Jun13-2024 03:59:27 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun13-2024 03:59:29 Nodes: 1 Procs: 1 Jun13-2024 03:59:30 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun13-2024 03:59:32 Nodes: 1 Procs: 1 Jun13-2024 03:59:34 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun13-2024 03:59:40 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.55287590 -15.92983568 -15.64849758 -15.91104827 -16.04236563 -16.07150751 -16.08903530 -16.09047725 -16.09070772 -16.09399668 -16.09664101 -16.09694681 -16.10017838 -16.10494029 -16.10740687 -16.10915291 -16.10876516 -16.11148582 -16.11178241 -16.11206658 -16.11225281 -16.11238481 -16.11263150 -16.11281305 -16.11305443 -16.11339400 -16.11390187 -16.11426505 -16.11451627 -16.11459639 -16.11492429 -16.11500441 -16.11517499 -16.11524507 -16.11530334 -16.11532573 -16.11535079 -16.11536337 -16.11537007 -16.11539310 GEOMETRY CONVERGED