ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar05-2024 19:48:34 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar05-2024 19:48:34 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar05-2024 19:48:35 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Mar05-2024 19:48:34 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 0 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar05-2024 19:48:36 Silicon (TZP, 1s frozen) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.41 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 Mar05-2024 19:48:34 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 0 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar05-2024 19:48:36 Nodes: 1 Procs: 1 Mar05-2024 19:48:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar05-2024 19:48:39 Silicon (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2874.1415000000056 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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.W ADF 2019 Mar05-2024 19:48:37 1 1 Tungsten TZP 4d t21.O ADF 2019 Mar05-2024 19:48:35 1 1 Oxygen TZP 1s t21.Si ADF 2019 Mar05-2024 19:48:35 1 1 Silicon TZP 1s 1 1 -17.27079610 0.16739674 0.00100000 F 0.03367985 0.00066667 F 0.16739674 0.03367985 0.05323410 0.01000000 F 0.01048975 0.00666667 F Cartesian 2874.1415000000056 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-0.400963 -1.499599 -0.549435 Rho 0.3186587E+03 3,-3 15 3 -3 1.499483 0.400959 -0.549262 Rho 0.3186586E+03 3,-3 16 3 -3 -1.097240 1.097405 -0.548959 Rho 0.3186586E+03 3,-3 17 3 -3 -3.268427 -0.876081 -0.410295 Rho 0.3188767E+03 3,-3 18 3 -3 2.785308 -0.930261 1.732061 Rho 0.3188769E+03 3,-3 19 3 -3 -1.463731 -0.391900 -3.055593 Rho 0.3188769E+03 3,-3 20 3 -3 1.947706 2.199280 1.732707 Rho 0.3188767E+03 3,-3 21 3 -3 2.395573 -2.394690 -0.410951 Rho 0.3188768E+03 3,-3 22 3 -3 -0.588297 2.876798 1.733937 Rho 0.3188768E+03 3,-3 23 3 -3 1.071446 -1.072805 -3.055557 Rho 0.3188769E+03 3,-3 24 3 -3 -2.877702 0.588785 1.732618 Rho 0.3188768E+03 3,-3 25 3 -3 0.393332 1.463199 -3.055281 Rho 0.3188769E+03 3,-3 26 3 -3 -2.199040 -1.946997 1.734475 Rho 0.3188768E+03 3,-3 27 3 -3 0.875080 3.270130 -0.409972 Rho 0.3188767E+03 3,-3 28 3 -3 0.930233 -2.786623 1.730899 Rho 0.3188770E+03 3,-3 29 3 -3 1.501808 0.403514 3.727811 Rho 0.3189788E+03 3,-3 30 3 -3 -2.142898 -2.796156 -1.976049 Rho 0.3189788E+03 3,-3 31 3 -3 3.896174 1.043202 0.223691 Rho 0.3189788E+03 3,-3 32 3 -3 -3.254917 1.350122 -1.975374 Rho 0.3189787E+03 3,-3 33 3 -3 -1.100414 1.100010 3.730069 Rho 0.3189791E+03 3,-3 34 3 -3 3.494355 -0.459054 -1.977186 Rho 0.3189789E+03 3,-3 35 3 -3 -2.852198 2.852878 0.224500 Rho 0.3189791E+03 3,-3 36 3 -3 0.459404 -3.494986 -1.976566 Rho 0.3189790E+03 3,-3 37 3 -3 -1.044212 -3.895713 0.223873 Rho 0.3189788E+03 3,-3 38 3 -3 -1.350211 3.254342 -1.975827 Rho 0.3189786E+03 3,-3 39 3 -3 -0.402684 -1.501824 3.728132 Rho 0.3189788E+03 3,-3 40 3 -3 2.795904 2.143385 -1.975191 Rho 0.3189787E+03 3,-3 41 3 -3 -3.103243 -0.829001 4.184491 Rho 0.3193735E+03 3,-3 42 3 -3 1.527169 -5.047616 0.118166 Rho 0.3193733E+03 3,-3 43 3 -3 2.776515 0.743195 -4.422352 Rho 0.3193732E+03 3,-3 44 3 -3 -1.201264 5.134057 0.121091 Rho 0.3193731E+03 3,-3 45 3 -3 2.269066 -2.270982 4.182003 Rho 0.3193734E+03 3,-3 46 3 -3 3.605603 3.846201 0.118964 Rho 0.3193735E+03 3,-3 47 3 -3 -2.031358 2.033084 -4.421798 Rho 0.3193735E+03 3,-3 48 3 -3 -3.845792 -3.605412 0.120593 Rho 0.3193735E+03 3,-3 49 3 -3 -0.745496 -2.776262 -4.422442 Rho 0.3193733E+03 3,-3 50 3 -3 -5.134274 1.200169 0.119007 Rho 0.3193730E+03 3,-3 51 3 -3 0.831596 3.102764 4.184363 Rho 0.3193735E+03 3,-3 52 3 -3 5.047620 -1.526093 0.119892 Rho 0.3193732E+03 3,-3 53 3 -3 0.000200 -0.000352 -0.000938 Rho 0.1943313E+04 3,-3 54 3 -1 -4.349043 1.117792 0.031838 Rho 0.2484326E+00 |GRAD(Rho)| 0.2530240E-12 GRAD(Rho)x 0.2501192E-12 GRAD(Rho)y -0.2591741E-13 GRAD(Rho)z -0.2810436E-13 Laplacian 0.9188585E+00 (-1/4)Del**2(Rho)) -0.2297146E+00 Diamond 0.3363399E+01 Metallicity 0.7362840E+01 Ellipticity 0.1143259E-02 Gb(Abramov) 0.4350351E+00 Vb(Abramov) -0.6403556E+00 Hb(Abramov) -0.2053205E+00 Ex_ueg -0.1153444E+00 Ec_ueg -0.1502398E-01 Delta_ex -0.1119012E+00 Delta_ec 0.1986946E-01 Delta_et -0.2744887E+00 Pxc 0.7677352E+01 Qxc -0.5631816E+01 3,-1 55 3 +1 -0.913068 -0.244913 -1.561750 Rho 0.9000824E-02 |GRAD(Rho)| 0.7549138E-13 GRAD(Rho)x -0.6984501E-13 GRAD(Rho)y 0.1831258E-14 GRAD(Rho)z -0.2858792E-13 Laplacian 0.3587325E-01 (-1/4)Del**2(Rho)) -0.8968313E-02 Diamond 0.9903982E-03 Metallicity 0.7481342E+00 Ellipticity -0.1408056E+01 Gb(Abramov) 0.7097125E-02 Vb(Abramov) -0.5225938E-02 Hb(Abramov) 0.1871187E-02 Ex_ueg -0.1382806E-02 Ec_ueg -0.3229495E-03 Delta_ex -0.1644679E-02 Delta_ec 0.4812295E-03 Delta_et -0.3346745E-02 Pxc 0.4281803E+01 Qxc -0.3417660E+01 3,+1 56 3 -1 -3.325951 0.011398 -0.244468 Rho 0.1426509E+00 |GRAD(Rho)| 0.4254281E-15 GRAD(Rho)x 0.5671394E-16 GRAD(Rho)y 0.4158728E-15 GRAD(Rho)z 0.6944315E-16 Laplacian 0.6025394E+00 (-1/4)Del**2(Rho)) -0.1506348E+00 Diamond 0.1154228E+01 Metallicity 0.4454020E+01 Ellipticity 0.8673345E-02 Gb(Abramov) 0.2122450E+00 Vb(Abramov) -0.2738552E+00 Hb(Abramov) -0.6161015E-01 Ex_ueg -0.5504923E-01 Ec_ueg -0.7974741E-02 Delta_ex -0.6396543E-01 Delta_ec 0.1556740E-01 Delta_et -0.2059363E+00 Pxc 0.6902949E+01 Qxc -0.4108935E+01 3,-1 57 3 +3 -1.829228 -0.490257 -1.340312 Rho 0.4899894E-02 |GRAD(Rho)| 0.2165770E-14 GRAD(Rho)x 0.1660466E-14 GRAD(Rho)y -0.1093538E-14 GRAD(Rho)z 0.8588300E-15 Laplacian 0.2035782E-01 (-1/4)Del**2(Rho)) -0.5089454E-02 Diamond 0.1945876E-03 Metallicity 0.4784755E+00 Ellipticity -0.2497629E+00 Gb(Abramov) 0.3798833E-02 Vb(Abramov) -0.2508211E-02 Hb(Abramov) 0.1290621E-02 Ex_ueg -0.6146585E-03 Ec_ueg -0.1426074E-03 Delta_ex -0.7531257E-03 Delta_ec 0.1855774E-03 Delta_et -0.1186287E-02 Pxc 0.4310146E+01 Qxc -0.4058283E+01 3,+3 58 3 +1 -1.725101 -0.462491 -0.371554 Rho 0.9014863E-02 |GRAD(Rho)| 0.1559663E-16 GRAD(Rho)x 0.1317814E-16 GRAD(Rho)y 0.8341580E-17 GRAD(Rho)z 0.9825582E-19 Laplacian 0.3593541E-01 (-1/4)Del**2(Rho)) -0.8983854E-02 Diamond 0.9941781E-03 Metallicity 0.7487826E+00 Ellipticity -0.1408435E+01 Gb(Abramov) 0.7110395E-02 Vb(Abramov) -0.5236936E-02 Hb(Abramov) 0.1873459E-02 Ex_ueg -0.1385683E-02 Ec_ueg -0.3235802E-03 Delta_ex -0.1648166E-02 Delta_ec 0.4820264E-03 Delta_et -0.3353641E-02 Pxc 0.4282348E+01 Qxc -0.3419244E+01 3,+1 59 3 +3 -1.722032 -0.461177 0.631452 Rho 0.5125282E-02 |GRAD(Rho)| 0.2737777E-14 GRAD(Rho)x -0.2301416E-14 GRAD(Rho)y 0.9366905E-15 GRAD(Rho)z 0.1149574E-14 Laplacian 0.2020597E-01 (-1/4)Del**2(Rho)) -0.5051492E-02 Diamond 0.1432525E-03 Metallicity 0.5195928E+00 Ellipticity -0.5290373E-02 Gb(Abramov) 0.3805114E-02 Vb(Abramov) -0.2558737E-02 Hb(Abramov) 0.1246377E-02 Ex_ueg -0.6526426E-03 Ec_ueg -0.1523082E-03 Delta_ex -0.7004760E-03 Delta_ec 0.8464714E-04 Delta_et -0.6855296E-03 Pxc 0.4285014E+01 Qxc -0.8275247E+01 3,+3 60 3 +1 -1.057885 -1.131865 0.965755 Rho 0.8988464E-02 |GRAD(Rho)| 0.5642232E-16 GRAD(Rho)x 0.4488597E-16 GRAD(Rho)y 0.2264627E-16 GRAD(Rho)z -0.2561004E-16 Laplacian 0.3582700E-01 (-1/4)Del**2(Rho)) -0.8956751E-02 Diamond 0.9874731E-03 Metallicity 0.7473863E+00 Ellipticity -0.1407655E+01 Gb(Abramov) 0.7086859E-02 Vb(Abramov) -0.5216968E-02 Hb(Abramov) 0.1869891E-02 Ex_ueg -0.1380275E-02 Ec_ueg -0.3223944E-03 Delta_ex -0.1642067E-02 Delta_ec 0.4807645E-03 Delta_et -0.3342218E-02 Pxc 0.4281325E+01 Qxc -0.3415534E+01 3,+1 61 3 -1 -2.549363 -0.680721 3.634784 Rho 0.2484420E+00 |GRAD(Rho)| 0.8903685E-14 GRAD(Rho)x 0.6162605E-14 GRAD(Rho)y 0.1452831E-14 GRAD(Rho)z -0.6259967E-14 Laplacian 0.9185907E+00 (-1/4)Del**2(Rho)) -0.2296477E+00 Diamond 0.3362768E+01 Metallicity 0.7365453E+01 Ellipticity 0.1108950E-02 Gb(Abramov) 0.4350083E+00 Vb(Abramov) -0.6403689E+00 Hb(Abramov) -0.2053606E+00 Ex_ueg -0.1153502E+00 Ec_ueg -0.1502463E-01 Delta_ex -0.1118707E+00 Delta_ec 0.1986522E-01 Delta_et -0.2744386E+00 Pxc 0.7677405E+01 Qxc -0.5631483E+01 3,-1 62 3 -1 -2.052124 -1.263089 2.308052 Rho 0.1426736E+00 |GRAD(Rho)| 0.9745222E-14 GRAD(Rho)x 0.1140676E-14 GRAD(Rho)y 0.6428506E-14 GRAD(Rho)z 0.7234813E-14 Laplacian 0.6030119E+00 (-1/4)Del**2(Rho)) -0.1507530E+00 Diamond 0.1155475E+01 Metallicity 0.4451707E+01 Ellipticity 0.8596545E-02 Gb(Abramov) 0.2123533E+00 Vb(Abramov) -0.2739536E+00 Hb(Abramov) -0.6160034E-01 Ex_ueg -0.5506087E-01 Ec_ueg -0.7976179E-02 Delta_ex -0.6401936E-01 Delta_ec 0.1558132E-01 Delta_et -0.2061302E+00 Pxc 0.6903164E+01 Qxc -0.4108726E+01 3,-1 63 3 +1 -2.220028 -0.833965 -1.669818 Rho 0.5623363E-02 |GRAD(Rho)| 0.2521641E-16 GRAD(Rho)x 0.8168574E-17 GRAD(Rho)y -0.2170310E-16 GRAD(Rho)z -0.9905415E-17 Laplacian 0.2342383E-01 (-1/4)Del**2(Rho)) -0.5855959E-02 Diamond 0.6181172E-03 Metallicity 0.5231369E+00 Ellipticity -0.2887182E+01 Gb(Abramov) 0.4414550E-02 Vb(Abramov) -0.2973142E-02 Hb(Abramov) 0.1441408E-02 Ex_ueg -0.7385499E-03 Ec_ueg -0.1738365E-03 Delta_ex -0.1174378E-02 Delta_ec 0.7069402E-03 Delta_et -0.3989205E-02 Pxc 0.4248532E+01 Qxc -0.1661213E+01 3,+1 64 3 +1 -2.339788 -0.387176 -1.669763 Rho 0.5622646E-02 |GRAD(Rho)| 0.4819935E-14 GRAD(Rho)x -0.1310254E-14 GRAD(Rho)y 0.4638090E-14 GRAD(Rho)z -0.5593594E-16 Laplacian 0.2342803E-01 (-1/4)Del**2(Rho)) -0.5857007E-02 Diamond 0.6176634E-03 Metallicity 0.5229321E+00 Ellipticity -0.2870775E+01 Gb(Abramov) 0.4415141E-02 Vb(Abramov) -0.2973275E-02 Hb(Abramov) 0.1441866E-02 Ex_ueg -0.7384244E-03 Ec_ueg -0.1738054E-03 Delta_ex -0.1174195E-02 Delta_ec 0.7064169E-03 Delta_et -0.3986371E-02 Pxc 0.4248569E+01 Qxc -0.1662184E+01 3,+1 65 3 +1 -1.481267 0.451867 0.966199 Rho 0.9000129E-02 |GRAD(Rho)| 0.2429120E-15 GRAD(Rho)x 0.8907398E-16 GRAD(Rho)y 0.7983455E-16 GRAD(Rho)z 0.2114203E-15 Laplacian 0.3587263E-01 (-1/4)Del**2(Rho)) -0.8968157E-02 Diamond 0.9899001E-03 Metallicity 0.7480510E+00 Ellipticity -0.1407562E+01 Gb(Abramov) 0.7096878E-02 Vb(Abramov) -0.5225599E-02 Hb(Abramov) 0.1871279E-02 Ex_ueg -0.1382664E-02 Ec_ueg -0.3229183E-03 Delta_ex -0.1644458E-02 Delta_ec 0.4809360E-03 Delta_et -0.3344878E-02 Pxc 0.4281777E+01 Qxc -0.3419287E+01 3,+1 66 3 +1 1.508217 -0.350531 0.965332 Rho 0.9013899E-02 |GRAD(Rho)| 0.1791656E-16 GRAD(Rho)x -0.9649399E-17 GRAD(Rho)y 0.1188895E-16 GRAD(Rho)z -0.9302963E-17 Laplacian 0.3592946E-01 (-1/4)Del**2(Rho)) -0.8982366E-02 Diamond 0.9934180E-03 Metallicity 0.7487731E+00 Ellipticity -0.1407980E+01 Gb(Abramov) 0.7109203E-02 Vb(Abramov) -0.5236040E-02 Hb(Abramov) 0.1873163E-02 Ex_ueg -0.1385485E-02 Ec_ueg -0.3235369E-03 Delta_ex -0.1647657E-02 Delta_ec 0.4816063E-03 Delta_et -0.3350913E-02 Pxc 0.4282310E+01 Qxc -0.3421170E+01 3,+1 67 3 +3 -1.338568 1.338434 1.338393 Rho 0.4912720E-02 |GRAD(Rho)| 0.1306402E-15 GRAD(Rho)x 0.1135871E-15 GRAD(Rho)y -0.6244327E-16 GRAD(Rho)z 0.1629903E-16 Laplacian 0.2037228E-01 (-1/4)Del**2(Rho)) -0.5093071E-02 Diamond 0.1939972E-03 Metallicity 0.4802236E+00 Ellipticity -0.2521731E+00 Gb(Abramov) 0.3803016E-02 Vb(Abramov) -0.2512961E-02 Hb(Abramov) 0.1290055E-02 Ex_ueg -0.6168048E-03 Ec_ueg -0.1431587E-03 Delta_ex -0.7528169E-03 Delta_ec 0.1832963E-03 Delta_et -0.1175809E-02 Pxc 0.4308538E+01 Qxc -0.4107104E+01 3,+3 68 3 -1 -2.286774 -0.613355 -1.675002 Rho 0.5657202E-02 |GRAD(Rho)| 0.1616490E-16 GRAD(Rho)x 0.8897658E-17 GRAD(Rho)y 0.3983119E-17 GRAD(Rho)z -0.1289459E-16 Laplacian 0.2300151E-01 (-1/4)Del**2(Rho)) -0.5750377E-02 Diamond 0.7259075E-03 Metallicity 0.5380959E+00 Ellipticity 0.3229474E+01 Gb(Abramov) 0.4349294E-02 Vb(Abramov) -0.2948210E-02 Hb(Abramov) 0.1401083E-02 Ex_ueg -0.7444816E-03 Ec_ueg -0.1753036E-03 Delta_ex -0.1244381E-02 Delta_ec 0.8545187E-03 Delta_et -0.4764037E-02 Pxc 0.4246813E+01 Qxc -0.1456237E+01 3,-1 69 3 -1 -1.461443 0.347097 3.364217 Rho 0.1433168E+00 |GRAD(Rho)| 0.4324121E-11 GRAD(Rho)x 0.3500534E-11 GRAD(Rho)y 0.2148835E-11 GRAD(Rho)z -0.1351591E-11 Laplacian 0.5664671E+00 (-1/4)Del**2(Rho)) -0.1416168E+00 Diamond 0.1094283E+01 Metallicity 0.4774561E+01 Ellipticity 0.3760066E-01 Gb(Abramov) 0.2071042E+00 Vb(Abramov) -0.2725915E+00 Hb(Abramov) -0.6548739E-01 Ex_ueg -0.5539208E-01 Ec_ueg -0.8017072E-02 Delta_ex -0.6023683E-01 Delta_ec 0.1467677E-01 Delta_et -0.1944132E+00 Pxc 0.6909266E+01 Qxc -0.4104229E+01 3,-1 70 3 -1 -1.289029 1.289734 -1.662315 Rho 0.5088674E-01 |GRAD(Rho)| 0.1874895E-15 GRAD(Rho)x 0.3452835E-16 GRAD(Rho)y -0.1611692E-16 GRAD(Rho)z 0.1835766E-15 Laplacian 0.1965200E+00 (-1/4)Del**2(Rho)) -0.4913001E-01 Diamond 0.9912247E-01 Metallicity 0.2450271E+01 Ellipticity 0.7368581E-02 Gb(Abramov) 0.5281697E-01 Vb(Abramov) -0.5650394E-01 Hb(Abramov) -0.3686968E-02 Ex_ueg -0.1392701E-01 Ec_ueg -0.2463948E-02 Delta_ex -0.1612541E-01 Delta_ec 0.5636126E-02 Delta_et -0.5963933E-01 Pxc 0.5652315E+01 Qxc -0.2861080E+01 3,-1 71 3 +3 0.000403 -0.000654 -1.892133 Rho 0.5129270E-02 |GRAD(Rho)| 0.7711995E-17 GRAD(Rho)x 0.7107401E-17 GRAD(Rho)y -0.8395288E-18 GRAD(Rho)z 0.2873136E-17 Laplacian 0.2021401E-01 (-1/4)Del**2(Rho)) -0.5053503E-02 Diamond 0.1433847E-03 Metallicity 0.5200597E+00 Ellipticity -0.7165876E-03 Gb(Abramov) 0.3807022E-02 Vb(Abramov) -0.2560542E-02 Hb(Abramov) 0.1246480E-02 Ex_ueg -0.6533197E-03 Ec_ueg -0.1524800E-03 Delta_ex -0.7008371E-03 Delta_ec 0.8455618E-04 Delta_et -0.6852585E-03 Pxc 0.4284625E+01 Qxc -0.8288419E+01 3,+3 72 3 +1 -1.956888 1.956786 -0.160141 Rho 0.2891665E-01 |GRAD(Rho)| 0.4630597E-16 GRAD(Rho)x -0.4014306E-16 GRAD(Rho)y 0.1489006E-16 GRAD(Rho)z 0.1763700E-16 Laplacian 0.1129464E+00 (-1/4)Del**2(Rho)) -0.2823660E-01 Diamond 0.1784645E-01 Metallicity 0.1662088E+01 Ellipticity -0.4625607E+01 Gb(Abramov) 0.2664635E-01 Vb(Abramov) -0.2505611E-01 Hb(Abramov) 0.1590246E-02 Ex_ueg -0.6555146E-02 Ec_ueg -0.1287863E-02 Delta_ex -0.7286106E-02 Delta_ec 0.1883912E-02 Delta_et -0.1722869E-01 Pxc 0.5089940E+01 Qxc -0.3867541E+01 3,+1 73 3 +1 -1.573775 1.573545 1.862691 Rho 0.5649124E-02 |GRAD(Rho)| 0.4485220E-16 GRAD(Rho)x 0.1332743E-16 GRAD(Rho)y -0.2444579E-16 GRAD(Rho)z 0.3516394E-16 Laplacian 0.2350339E-01 (-1/4)Del**2(Rho)) -0.5875847E-02 Diamond 0.6198554E-03 Metallicity 0.5253531E+00 Ellipticity -0.2817665E+01 Gb(Abramov) 0.4431714E-02 Vb(Abramov) -0.2987580E-02 Hb(Abramov) 0.1444133E-02 Ex_ueg -0.7430646E-03 Ec_ueg -0.1749533E-03 Delta_ex -0.1176136E-02 Delta_ec 0.7034409E-03 Delta_et -0.3977324E-02 Pxc 0.4247216E+01 Qxc -0.1671976E+01 3,+1 74 3 -1 -0.504045 1.481359 -2.945743 Rho 0.1429558E+00 |GRAD(Rho)| 0.1852101E-15 GRAD(Rho)x -0.1815497E-15 GRAD(Rho)y 0.1943771E-16 GRAD(Rho)z -0.3105900E-16 Laplacian 0.6038777E+00 (-1/4)Del**2(Rho)) -0.1509694E+00 Diamond 0.1159559E+01 Metallicity 0.4459988E+01 Ellipticity 0.8796716E-02 Gb(Abramov) 0.2128666E+00 Vb(Abramov) -0.2747637E+00 Hb(Abramov) -0.6189716E-01 Ex_ueg -0.5520613E-01 Ec_ueg -0.7994118E-02 Delta_ex -0.6413873E-01 Delta_ec 0.1559000E-01 Delta_et -0.2062926E+00 Pxc 0.6905844E+01 Qxc -0.4114094E+01 3,-1 75 3 +1 -1.211311 2.157674 -1.248917 Rho 0.2896187E-01 |GRAD(Rho)| 0.1703973E-16 GRAD(Rho)x 0.6542689E-18 GRAD(Rho)y -0.1593063E-17 GRAD(Rho)z -0.1695248E-16 Laplacian 0.1132439E+00 (-1/4)Del**2(Rho)) -0.2831097E-01 Diamond 0.1795830E-01 Metallicity 0.1662045E+01 Ellipticity -0.4667821E+01 Gb(Abramov) 0.2671633E-01 Vb(Abramov) -0.2512169E-01 Hb(Abramov) 0.1594640E-02 Ex_ueg -0.6568817E-02 Ec_ueg -0.1290184E-02 Delta_ex -0.7310726E-02 Delta_ec 0.1893058E-02 Delta_et -0.1731824E-01 Pxc 0.5091378E+01 Qxc -0.3861859E+01 3,+1 76 3 +1 1.264698 -1.264703 -0.372126 Rho 0.8994389E-02 |GRAD(Rho)| 0.2791057E-16 GRAD(Rho)x -0.1567180E-16 GRAD(Rho)y 0.2306810E-16 GRAD(Rho)z -0.1121472E-17 Laplacian 0.3583647E-01 (-1/4)Del**2(Rho)) -0.8959118E-02 Diamond 0.9880975E-03 Metallicity 0.7480099E+00 Ellipticity -0.1407778E+01 Gb(Abramov) 0.7089664E-02 Vb(Abramov) -0.5220209E-02 Hb(Abramov) 0.1869454E-02 Ex_ueg -0.1381489E-02 Ec_ueg -0.3226605E-03 Delta_ex -0.1642556E-02 Delta_ec 0.4804935E-03 Delta_et -0.3341226E-02 Pxc 0.4281554E+01 Qxc -0.3418476E+01 3,+1 77 3 -1 -1.041618 2.216239 -0.305528 Rho 0.5079051E-01 |GRAD(Rho)| 0.4351441E-16 GRAD(Rho)x 0.1305542E-17 GRAD(Rho)y -0.4275653E-16 GRAD(Rho)z -0.7979897E-17 Laplacian 0.1962103E+00 (-1/4)Del**2(Rho)) -0.4905258E-01 Diamond 0.9871833E-01 Metallicity 0.2446408E+01 Ellipticity 0.7211746E-02 Gb(Abramov) 0.5270216E-01 Vb(Abramov) -0.5635174E-01 Hb(Abramov) -0.3649577E-02 Ex_ueg -0.1389190E-01 Ec_ueg -0.2458617E-02 Delta_ex -0.1609253E-01 Delta_ec 0.5627821E-02 Delta_et -0.5952259E-01 Pxc 0.5650293E+01 Qxc -0.2859461E+01 3,-1 78 3 -1 -1.675318 1.675162 1.675544 Rho 0.5686007E-02 |GRAD(Rho)| 0.4804218E-17 GRAD(Rho)x 0.1480190E-17 GRAD(Rho)y -0.2174334E-17 GRAD(Rho)z 0.4020177E-17 Laplacian 0.2306521E-01 (-1/4)Del**2(Rho)) -0.5766301E-02 Diamond 0.7324136E-03 Metallicity 0.5411714E+00 Ellipticity 0.3114835E+01 Gb(Abramov) 0.4364294E-02 Vb(Abramov) -0.2962286E-02 Hb(Abramov) 0.1402008E-02 Ex_ueg -0.7495402E-03 Ec_ueg -0.1765529E-03 Delta_ex -0.1248618E-02 Delta_ec 0.8562015E-03 Delta_et -0.4781035E-02 Pxc 0.4245414E+01 Qxc -0.1458323E+01 3,-1 79 3 -1 -1.426211 2.433744 -2.366646 Rho 0.1430440E+00 |GRAD(Rho)| 0.7824082E-12 GRAD(Rho)x 0.7501152E-13 GRAD(Rho)y 0.6871815E-12 GRAD(Rho)z 0.3664933E-12 Laplacian 0.5652314E+00 (-1/4)Del**2(Rho)) -0.1413078E+00 Diamond 0.1089317E+01 Metallicity 0.4769831E+01 Ellipticity 0.3766759E-01 Gb(Abramov) 0.2065410E+00 Vb(Abramov) -0.2717741E+00 Hb(Abramov) -0.6523314E-01 Ex_ueg -0.5525156E-01 Ec_ueg -0.7999727E-02 Delta_ex -0.6007663E-01 Delta_ec 0.1464998E-01 Delta_et -0.1939997E+00 Pxc 0.6906681E+01 Qxc -0.4100801E+01 3,-1 80 3 +1 0.350439 -1.508741 0.965210 Rho 0.9010232E-02 |GRAD(Rho)| 0.3458406E-16 GRAD(Rho)x 0.2264966E-17 GRAD(Rho)y 0.2231424E-16 GRAD(Rho)z 0.2632494E-16 Laplacian 0.3591336E-01 (-1/4)Del**2(Rho)) -0.8978339E-02 Diamond 0.9924238E-03 Metallicity 0.7486012E+00 Ellipticity -0.1407868E+01 Gb(Abramov) 0.7105759E-02 Vb(Abramov) -0.5233178E-02 Hb(Abramov) 0.1872581E-02 Ex_ueg -0.1384734E-02 Ec_ueg -0.3233722E-03 Delta_ex -0.1646748E-02 Delta_ec 0.4813922E-03 Delta_et -0.3349077E-02 Pxc 0.4282168E+01 Qxc -0.3420804E+01 3,+1 81 3 +1 0.244977 0.913018 -1.561569 Rho 0.9004912E-02 |GRAD(Rho)| 0.2489971E-16 GRAD(Rho)x -0.1329503E-16 GRAD(Rho)y -0.2764716E-17 GRAD(Rho)z 0.2087089E-16 Laplacian 0.3589255E-01 (-1/4)Del**2(Rho)) -0.8973137E-02 Diamond 0.9914938E-03 Metallicity 0.7482982E+00 Ellipticity -0.1408089E+01 Gb(Abramov) 0.7101189E-02 Vb(Abramov) -0.5229240E-02 Hb(Abramov) 0.1871949E-02 Ex_ueg -0.1383644E-02 Ec_ueg -0.3231332E-03 Delta_ex -0.1645733E-02 Delta_ec 0.4814493E-03 Delta_et -0.3348691E-02 Pxc 0.4281962E+01 Qxc -0.3418290E+01 3,+1 82 3 +1 -0.451803 1.480981 0.966392 Rho 0.9000222E-02 |GRAD(Rho)| 0.2239357E-15 GRAD(Rho)x 0.2061221E-15 GRAD(Rho)y 0.3360349E-16 GRAD(Rho)z 0.8081880E-16 Laplacian 0.3587657E-01 (-1/4)Del**2(Rho)) -0.8969142E-02 Diamond 0.9901103E-03 Metallicity 0.7479817E+00 Ellipticity -0.1407550E+01 Gb(Abramov) 0.7097553E-02 Vb(Abramov) -0.5225965E-02 Hb(Abramov) 0.1871588E-02 Ex_ueg -0.1382683E-02 Ec_ueg -0.3229225E-03 Delta_ex -0.1644680E-02 Delta_ec 0.4810551E-03 Delta_et -0.3345660E-02 Pxc 0.4281780E+01 Qxc -0.3418901E+01 3,+1 83 3 +1 -0.543883 0.547094 2.662742 Rho 0.2883860E-01 |GRAD(Rho)| 0.1182732E-13 GRAD(Rho)x -0.1618540E-14 GRAD(Rho)y 0.7054524E-14 GRAD(Rho)z 0.9354120E-14 Laplacian 0.1126244E+00 (-1/4)Del**2(Rho)) -0.2815610E-01 Diamond 0.1772630E-01 Metallicity 0.1659349E+01 Ellipticity -0.4595761E+01 Gb(Abramov) 0.2655753E-01 Vb(Abramov) -0.2495896E-01 Hb(Abramov) 0.1598569E-02 Ex_ueg -0.6531566E-02 Ec_ueg -0.1283858E-02 Delta_ex -0.7259753E-02 Delta_ec 0.1878046E-02 Delta_et -0.1716412E-01 Pxc 0.5087453E+01 Qxc -0.3865590E+01 3,+1 84 3 +1 2.672786 0.716861 -0.160563 Rho 0.2895215E-01 |GRAD(Rho)| 0.4448919E-10 GRAD(Rho)x 0.2193897E-10 GRAD(Rho)y -0.3859590E-10 GRAD(Rho)z 0.2885397E-11 Laplacian 0.1131872E+00 (-1/4)Del**2(Rho)) -0.2829680E-01 Diamond 0.1793586E-01 Metallicity 0.1661947E+01 Ellipticity -0.4658077E+01 Gb(Abramov) 0.2670250E-01 Vb(Abramov) -0.2510820E-01 Hb(Abramov) 0.1594302E-02 Ex_ueg -0.6565879E-02 Ec_ueg -0.1289686E-02 Delta_ex -0.7305946E-02 Delta_ec 0.1891290E-02 Delta_et -0.1730078E-01 Pxc 0.5091069E+01 Qxc -0.3862944E+01 3,+1 85 3 +3 0.490862 1.830176 -1.340073 Rho 0.4894391E-02 |GRAD(Rho)| 0.5614072E-15 GRAD(Rho)x 0.2844125E-15 GRAD(Rho)y -0.4249022E-15 GRAD(Rho)z 0.2318312E-15 Laplacian 0.2033537E-01 (-1/4)Del**2(Rho)) -0.5083844E-02 Diamond 0.1942769E-03 Metallicity 0.4781074E+00 Ellipticity -0.2488352E+00 Gb(Abramov) 0.3794333E-02 Vb(Abramov) -0.2504822E-02 Hb(Abramov) 0.1289511E-02 Ex_ueg -0.6137384E-03 Ec_ueg -0.1423709E-03 Delta_ex -0.7522693E-03 Delta_ec 0.1857146E-03 Delta_et -0.1186369E-02 Pxc 0.4310843E+01 Qxc -0.4050674E+01 3,+3 86 3 +1 0.462955 1.725796 -0.371391 Rho 0.9000703E-02 |GRAD(Rho)| 0.1469447E-13 GRAD(Rho)x 0.7805414E-14 GRAD(Rho)y -0.1239534E-13 GRAD(Rho)z -0.1165507E-14 Laplacian 0.3587674E-01 (-1/4)Del**2(Rho)) -0.8969186E-02 Diamond 0.9905301E-03 Metallicity 0.7480447E+00 Ellipticity -0.1408000E+01 Gb(Abramov) 0.7097683E-02 Vb(Abramov) -0.5226179E-02 Hb(Abramov) 0.1871503E-02 Ex_ueg -0.1382782E-02 Ec_ueg -0.3229441E-03 Delta_ex -0.1644856E-02 Delta_ec 0.4813169E-03 Delta_et -0.3347308E-02 Pxc 0.4281799E+01 Qxc -0.3417407E+01 3,+1 87 3 +3 1.261381 -1.261749 0.628600 Rho 0.5131426E-02 |GRAD(Rho)| 0.1942886E-15 GRAD(Rho)x -0.1840874E-15 GRAD(Rho)y -0.2828751E-16 GRAD(Rho)z 0.5531464E-16 Laplacian 0.2021808E-01 (-1/4)Del**2(Rho)) -0.5054520E-02 Diamond 0.1434516E-03 Metallicity 0.5203195E+00 Ellipticity -0.2669894E-02 Gb(Abramov) 0.3808007E-02 Vb(Abramov) -0.2561495E-02 Hb(Abramov) 0.1246512E-02 Ex_ueg -0.6536860E-03 Ec_ueg -0.1525730E-03 Delta_ex -0.7010204E-03 Delta_ec 0.8450176E-04 Delta_et -0.6850817E-03 Pxc 0.4284415E+01 Qxc -0.8295926E+01 3,+3 88 3 -1 -0.346269 1.461085 3.364220 Rho 0.1426896E+00 |GRAD(Rho)| 0.2296581E-15 GRAD(Rho)x -0.1726321E-15 GRAD(Rho)y 0.4208060E-16 GRAD(Rho)z -0.1454999E-15 Laplacian 0.5634340E+00 (-1/4)Del**2(Rho)) -0.1408585E+00 Diamond 0.1082720E+01 Metallicity 0.4765307E+01 Ellipticity 0.3678741E-01 Gb(Abramov) 0.2057780E+00 Vb(Abramov) -0.2706975E+00 Hb(Abramov) -0.6491950E-01 Ex_ueg -0.5506915E-01 Ec_ueg -0.7977201E-02 Delta_ex -0.5985045E-01 Delta_ec 0.1461409E-01 Delta_et -0.1934566E+00 Pxc 0.6903317E+01 Qxc -0.4095394E+01 3,-1 89 3 +3 0.461407 1.722091 0.631039 Rho 0.5122979E-02 |GRAD(Rho)| 0.4138226E-17 GRAD(Rho)x 0.2610556E-17 GRAD(Rho)y 0.3069647E-17 GRAD(Rho)z 0.9419006E-18 Laplacian 0.2019723E-01 (-1/4)Del**2(Rho)) -0.5049306E-02 Diamond 0.1431444E-03 Metallicity 0.5194285E+00 Ellipticity -0.8374850E-03 Gb(Abramov) 0.3803330E-02 Vb(Abramov) -0.2557353E-02 Hb(Abramov) 0.1245977E-02 Ex_ueg -0.6522517E-03 Ec_ueg -0.1522089E-03 Delta_ex -0.7001229E-03 Delta_ec 0.8467805E-04 Delta_et -0.6855245E-03 Pxc 0.4285239E+01 Qxc -0.8268057E+01 3,+3 90 3 +1 -1.262885 -2.128318 -1.248416 Rho 0.2897375E-01 |GRAD(Rho)| 0.1254111E-16 GRAD(Rho)x 0.3554612E-17 GRAD(Rho)y 0.6938208E-17 GRAD(Rho)z 0.9823719E-17 Laplacian 0.1133342E+00 (-1/4)Del**2(Rho)) -0.2833354E-01 Diamond 0.1798812E-01 Metallicity 0.1661856E+01 Ellipticity -0.4672299E+01 Gb(Abramov) 0.2673674E-01 Vb(Abramov) -0.2513994E-01 Hb(Abramov) 0.1596801E-02 Ex_ueg -0.6572410E-02 Ec_ueg -0.1290794E-02 Delta_ex -0.7317841E-02 Delta_ec 0.1895417E-02 Delta_et -0.1734140E-01 Pxc 0.5091756E+01 Qxc -0.3860807E+01 3,+1 91 3 +1 2.474838 -0.030451 -1.249929 Rho 0.2893326E-01 |GRAD(Rho)| 0.1136270E-15 GRAD(Rho)x -0.7890447E-16 GRAD(Rho)y 0.4793579E-16 GRAD(Rho)z 0.6623704E-16 Laplacian 0.1130643E+00 (-1/4)Del**2(Rho)) -0.2826606E-01 Diamond 0.1787971E-01 Metallicity 0.1661946E+01 Ellipticity -0.4620957E+01 Gb(Abramov) 0.2667349E-01 Vb(Abramov) -0.2508091E-01 Hb(Abramov) 0.1592576E-02 Ex_ueg -0.6560168E-02 Ec_ueg -0.1288716E-02 Delta_ex -0.7294885E-02 Delta_ec 0.1885955E-02 Delta_et -0.1724971E-01 Pxc 0.5090468E+01 Qxc -0.3868006E+01 3,+1 92 3 -1 0.625853 -3.465994 -1.080930 Rho 0.1434512E+00 |GRAD(Rho)| 0.7863949E-12 GRAD(Rho)x -0.1376784E-12 GRAD(Rho)y 0.2091799E-13 GRAD(Rho)z -0.7739664E-12 Laplacian 0.5670450E+00 (-1/4)Del**2(Rho)) -0.1417613E+00 Diamond 0.1096588E+01 Metallicity 0.4777155E+01 Ellipticity 0.3783429E-01 Gb(Abramov) 0.2073767E+00 Vb(Abramov) -0.2729922E+00 Hb(Abramov) -0.6561549E-01 Ex_ueg -0.5546138E-01 Ec_ueg -0.8025624E-02 Delta_ex -0.6031159E-01 Delta_ec 0.1468750E-01 Delta_et -0.1945807E+00 Pxc 0.6910538E+01 Qxc -0.4106320E+01 3,-1 93 3 -1 -0.169077 -3.677884 0.082818 Rho 0.1426095E+00 |GRAD(Rho)| 0.6618926E-13 GRAD(Rho)x -0.5424095E-13 GRAD(Rho)y 0.3785279E-13 GRAD(Rho)z -0.2470358E-14 Laplacian 0.5630652E+00 (-1/4)Del**2(Rho)) -0.1407663E+00 Diamond 0.1081176E+01 Metallicity 0.4763963E+01 Ellipticity 0.3692616E-01 Gb(Abramov) 0.2056118E+00 Vb(Abramov) -0.2704572E+00 Hb(Abramov) -0.6484547E-01 Ex_ueg -0.5502788E-01 Ec_ueg -0.7972104E-02 Delta_ex -0.5980196E-01 Delta_ec 0.1460453E-01 Delta_et -0.1933097E+00 Pxc 0.6902555E+01 Qxc -0.4094753E+01 3,-1 94 3 +3 1.830177 0.491041 1.339748 Rho 0.4892090E-02 |GRAD(Rho)| 0.3582211E-17 GRAD(Rho)x -0.8097635E-18 GRAD(Rho)y -0.1327301E-17 GRAD(Rho)z 0.3227196E-17 Laplacian 0.2033430E-01 (-1/4)Del**2(Rho)) -0.5083575E-02 Diamond 0.1942282E-03 Metallicity 0.4777580E+00 Ellipticity -0.2485539E+00 Gb(Abramov) 0.3793836E-02 Vb(Abramov) -0.2504098E-02 Hb(Abramov) 0.1289739E-02 Ex_ueg -0.6133537E-03 Ec_ueg -0.1422719E-03 Delta_ex -0.7522203E-03 Delta_ec 0.1858509E-03 Delta_et -0.1186903E-02 Pxc 0.4311136E+01 Qxc -0.4047439E+01 3,+3 95 3 +1 0.744087 0.201754 2.661812 Rho 0.2894042E-01 |GRAD(Rho)| 0.1893667E-16 GRAD(Rho)x -0.1207795E-16 GRAD(Rho)y -0.1084343E-16 GRAD(Rho)z -0.9753992E-17 Laplacian 0.1131276E+00 (-1/4)Del**2(Rho)) -0.2828191E-01 Diamond 0.1791221E-01 Metallicity 0.1661700E+01 Ellipticity -0.4648767E+01 Gb(Abramov) 0.2668728E-01 Vb(Abramov) -0.2509265E-01 Hb(Abramov) 0.1594629E-02 Ex_ueg -0.6562332E-02 Ec_ueg -0.1289083E-02 Delta_ex -0.7300924E-02 Delta_ec 0.1889624E-02 Delta_et -0.1728397E-01 Pxc 0.5090696E+01 Qxc -0.3863691E+01 3,+1 96 3 +1 0.669393 -0.669390 -1.561846 Rho 0.9006082E-02 |GRAD(Rho)| 0.2975296E-14 GRAD(Rho)x -0.1383279E-14 GRAD(Rho)y -0.3705261E-15 GRAD(Rho)z 0.2607994E-14 Laplacian 0.3590438E-01 (-1/4)Del**2(Rho)) -0.8976094E-02 Diamond 0.9919289E-03 Metallicity 0.7482136E+00 Ellipticity -0.1407853E+01 Gb(Abramov) 0.7103402E-02 Vb(Abramov) -0.5230710E-02 Hb(Abramov) 0.1872692E-02 Ex_ueg -0.1383884E-02 Ec_ueg -0.3231857E-03 Delta_ex -0.1646302E-02 Delta_ec 0.4815570E-03 Delta_et -0.3349594E-02 Pxc 0.4282007E+01 Qxc -0.3418705E+01 3,+1 97 3 -1 0.620261 0.165582 -0.227751 Rho 0.1408321E+00 |GRAD(Rho)| 0.1416168E-15 GRAD(Rho)x -0.7929696E-16 GRAD(Rho)y -0.4870006E-16 GRAD(Rho)z -0.1067502E-15 Laplacian 0.7577705E+00 (-1/4)Del**2(Rho)) -0.1894426E+00 Diamond 0.1733111E+01 Metallicity 0.3466665E+01 Ellipticity 0.8018090E-04 Gb(Abramov) 0.2357507E+00 Vb(Abramov) -0.2820589E+00 Hb(Abramov) -0.4630813E-01 Ex_ueg -0.5411539E-01 Ec_ueg -0.7859247E-02 Delta_ex -0.8348449E-01 Delta_ec 0.2551496E-01 Delta_et -0.3491634E+00 Pxc 0.6885569E+01 Qxc -0.3271982E+01 3,-1 98 3 +1 0.832926 2.220989 -1.669421 Rho 0.5614770E-02 |GRAD(Rho)| 0.1443153E-16 GRAD(Rho)x -0.1462614E-17 GRAD(Rho)y 0.8689076E-17 GRAD(Rho)z 0.1142933E-16 Laplacian 0.2338446E-01 (-1/4)Del**2(Rho)) -0.5846115E-02 Diamond 0.6165995E-03 Metallicity 0.5226839E+00 Ellipticity -0.2902318E+01 Gb(Abramov) 0.4406688E-02 Vb(Abramov) -0.2967262E-02 Hb(Abramov) 0.1439427E-02 Ex_ueg -0.7370456E-03 Ec_ueg -0.1734640E-03 Delta_ex -0.1172676E-02 Delta_ec 0.7068738E-03 Delta_et -0.3986545E-02 Pxc 0.4248982E+01 Qxc -0.1658960E+01 3,+1 99 3 +1 0.000546 -0.000690 -3.006455 Rho 0.1224633E-01 |GRAD(Rho)| 0.3115527E-14 GRAD(Rho)x -0.1390221E-14 GRAD(Rho)y -0.2786644E-14 GRAD(Rho)z -0.9167353E-16 Laplacian 0.6175556E-01 (-1/4)Del**2(Rho)) -0.1543889E-01 Diamond 0.2534715E-02 Metallicity 0.7260174E+00 Ellipticity -0.1240660E+01 Gb(Abramov) 0.1216074E-01 Vb(Abramov) -0.8882597E-02 Hb(Abramov) 0.3278146E-02 Ex_ueg -0.2084777E-02 Ec_ueg -0.4709523E-03 Delta_ex -0.3049134E-02 Delta_ec 0.7966762E-03 Delta_et -0.6007209E-02 Pxc 0.4426726E+01 Qxc -0.3827320E+01 3,+1 100 3 +1 2.408074 0.645543 1.482792 Rho 0.5614342E-02 |GRAD(Rho)| 0.3415640E-12 GRAD(Rho)x -0.2623348E-12 GRAD(Rho)y -0.7009337E-13 GRAD(Rho)z 0.2072036E-12 Laplacian 0.2338626E-01 (-1/4)Del**2(Rho)) -0.5846565E-02 Diamond 0.6177886E-03 Metallicity 0.5225772E+00 Ellipticity -0.2931004E+01 Gb(Abramov) 0.4406924E-02 Vb(Abramov) -0.2967282E-02 Hb(Abramov) 0.1439641E-02 Ex_ueg -0.7369706E-03 Ec_ueg -0.1734455E-03 Delta_ex -0.1173707E-02 Delta_ec 0.7086398E-03 Delta_et -0.3995704E-02 Pxc 0.4249004E+01 Qxc -0.1656281E+01 3,+1 101 3 +1 2.004380 -2.004575 1.000768 Rho 0.1226056E-01 |GRAD(Rho)| 0.1526742E-16 GRAD(Rho)x 0.5853845E-17 GRAD(Rho)y 0.1395765E-16 GRAD(Rho)z 0.2002651E-17 Laplacian 0.6180960E-01 (-1/4)Del**2(Rho)) -0.1545240E-01 Diamond 0.2539716E-02 Metallicity 0.7267877E+00 Ellipticity -0.1240714E+01 Gb(Abramov) 0.1217337E-01 Vb(Abramov) -0.8894339E-02 Hb(Abramov) 0.3279031E-02 Ex_ueg -0.2088007E-02 Ec_ueg -0.4716106E-03 Delta_ex -0.3052386E-02 Delta_ec 0.7967408E-03 Delta_et -0.6009880E-02 Pxc 0.4427397E+01 Qxc -0.3831090E+01 3,+1 102 3 -1 1.863735 -1.865638 3.632093 Rho 0.2484102E+00 |GRAD(Rho)| 0.1102291E-14 GRAD(Rho)x 0.5150502E-15 GRAD(Rho)y -0.8767943E-15 GRAD(Rho)z 0.4254409E-15 Laplacian 0.9189698E+00 (-1/4)Del**2(Rho)) -0.2297425E+00 Diamond 0.3363300E+01 Metallicity 0.7360845E+01 Ellipticity 0.1088369E-02 Gb(Abramov) 0.4350114E+00 Vb(Abramov) -0.6402804E+00 Hb(Abramov) -0.2052690E+00 Ex_ueg -0.1153305E+00 Ec_ueg -0.1502242E-01 Delta_ex -0.1119113E+00 Delta_ec 0.1987112E-01 Delta_et -0.2745051E+00 Pxc 0.7677226E+01 Qxc -0.5631860E+01 3,-1 103 3 +1 1.508067 -1.833236 -1.670228 Rho 0.5619042E-02 |GRAD(Rho)| 0.2256448E-17 GRAD(Rho)x -0.7352246E-18 GRAD(Rho)y 0.3578714E-18 GRAD(Rho)z 0.2103077E-17 Laplacian 0.2339386E-01 (-1/4)Del**2(Rho)) -0.5848464E-02 Diamond 0.6173220E-03 Metallicity 0.5231366E+00 Ellipticity -0.2906544E+01 Gb(Abramov) 0.4408901E-02 Vb(Abramov) -0.2969337E-02 Hb(Abramov) 0.1439564E-02 Ex_ueg -0.7377934E-03 Ec_ueg -0.1736492E-03 Delta_ex -0.1173200E-02 Delta_ec 0.7069351E-03 Delta_et -0.3987888E-02 Pxc 0.4248758E+01 Qxc -0.1659558E+01 3,+1 104 3 +1 1.833021 -1.508190 -1.670302 Rho 0.5618960E-02 |GRAD(Rho)| 0.8178053E-17 GRAD(Rho)x 0.4002866E-17 GRAD(Rho)y -0.1182670E-17 GRAD(Rho)z 0.7032703E-17 Laplacian 0.2339466E-01 (-1/4)Del**2(Rho)) -0.5848665E-02 Diamond 0.6173410E-03 Metallicity 0.5231059E+00 Ellipticity -0.2905301E+01 Gb(Abramov) 0.4409022E-02 Vb(Abramov) -0.2969379E-02 Hb(Abramov) 0.1439643E-02 Ex_ueg -0.7377790E-03 Ec_ueg -0.1736456E-03 Delta_ex -0.1173244E-02 Delta_ec 0.7069736E-03 Delta_et -0.3988082E-02 Pxc 0.4248762E+01 Qxc -0.1659531E+01 3,+1 105 3 -1 1.675603 -1.675923 -1.675396 Rho 0.5652311E-02 |GRAD(Rho)| 0.5035346E-14 GRAD(Rho)x -0.2899767E-14 GRAD(Rho)y -0.4074301E-14 GRAD(Rho)z -0.5883325E-15 Laplacian 0.2297433E-01 (-1/4)Del**2(Rho)) -0.5743581E-02 Diamond 0.7236914E-03 Metallicity 0.5379565E+00 Ellipticity 0.3281777E+01 Gb(Abramov) 0.4344020E-02 Vb(Abramov) -0.2944459E-02 Hb(Abramov) 0.1399561E-02 Ex_ueg -0.7436235E-03 Ec_ueg -0.1750915E-03 Delta_ex -0.1242305E-02 Delta_ec 0.8527825E-03 Delta_et -0.4753352E-02 Pxc 0.4247056E+01 Qxc -0.1456767E+01 3,-1 106 3 -1 2.119587 -1.144549 2.305364 Rho 0.1428480E+00 |GRAD(Rho)| 0.7523709E-16 GRAD(Rho)x 0.4147073E-16 GRAD(Rho)y 0.3146897E-16 GRAD(Rho)z 0.5431853E-16 Laplacian 0.6039304E+00 (-1/4)Del**2(Rho)) -0.1509826E+00 Diamond 0.1158895E+01 Metallicity 0.4453995E+01 Ellipticity 0.8609286E-02 Gb(Abramov) 0.2127344E+00 Vb(Abramov) -0.2744861E+00 Hb(Abramov) -0.6175177E-01 Ex_ueg -0.5515064E-01 Ec_ueg -0.7987265E-02 Delta_ex -0.6413556E-01 Delta_ec 0.1559964E-01 Delta_et -0.2064086E+00 Pxc 0.6904821E+01 Qxc -0.4111348E+01 3,-1 107 3 +3 1.340834 -1.340762 -1.340278 Rho 0.4895526E-02 |GRAD(Rho)| 0.1462032E-16 GRAD(Rho)x -0.9117463E-17 GRAD(Rho)y 0.6035957E-17 GRAD(Rho)z -0.9705304E-17 Laplacian 0.2033450E-01 (-1/4)Del**2(Rho)) -0.5083624E-02 Diamond 0.1940943E-03 Metallicity 0.4783128E+00 Ellipticity -0.2490079E+00 Gb(Abramov) 0.3794343E-02 Vb(Abramov) -0.2505062E-02 Hb(Abramov) 0.1289281E-02 Ex_ueg -0.6139281E-03 Ec_ueg -0.1424196E-03 Delta_ex -0.7520568E-03 Delta_ec 0.1853051E-03 Delta_et -0.1184379E-02 Pxc 0.4310699E+01 Qxc -0.4058478E+01 3,+3 108 3 -1 -1.397723 -2.010056 -0.305320 Rho 0.5084403E-01 |GRAD(Rho)| 0.1898786E-14 GRAD(Rho)x 0.7094663E-16 GRAD(Rho)y -0.1897382E-14 GRAD(Rho)z 0.1723056E-16 Laplacian 0.1964073E+00 (-1/4)Del**2(Rho)) -0.4910183E-01 Diamond 0.9895434E-01 Metallicity 0.2448248E+01 Ellipticity 0.7108654E-02 Gb(Abramov) 0.5277013E-01 Vb(Abramov) -0.5643843E-01 Hb(Abramov) -0.3668300E-02 Ex_ueg -0.1391143E-01 Ec_ueg -0.2461582E-02 Delta_ex -0.1611280E-01 Delta_ec 0.5633066E-02 Delta_et -0.5959411E-01 Pxc 0.5651418E+01 Qxc -0.2860396E+01 3,-1 109 3 -1 1.437033 -0.430469 3.361495 Rho 0.1423615E+00 |GRAD(Rho)| 0.4874444E-15 GRAD(Rho)x 0.6541890E-16 GRAD(Rho)y 0.4457697E-15 GRAD(Rho)z 0.1860423E-15 Laplacian 0.5622035E+00 (-1/4)Del**2(Rho)) -0.1405509E+00 Diamond 0.1077262E+01 Metallicity 0.4757447E+01 Ellipticity 0.3689684E-01 Gb(Abramov) 0.2051445E+00 Vb(Abramov) -0.2697381E+00 Hb(Abramov) -0.6459360E-01 Ex_ueg -0.5490036E-01 Ec_ueg -0.7956348E-02 Delta_ex -0.5968506E-01 Delta_ec 0.1458825E-01 Delta_et -0.1930436E+00 Pxc 0.6900196E+01 Qxc -0.4091310E+01 3,-1 110 3 -1 3.141576 3.207355 0.032312 Rho 0.2484415E+00 |GRAD(Rho)| 0.2689420E-13 GRAD(Rho)x -0.1484452E-13 GRAD(Rho)y 0.1983158E-13 GRAD(Rho)z 0.1047125E-13 Laplacian 0.9187223E+00 (-1/4)Del**2(Rho)) -0.2296806E+00 Diamond 0.3363204E+01 Metallicity 0.7364376E+01 Ellipticity 0.1170013E-02 Gb(Abramov) 0.4350294E+00 Vb(Abramov) -0.6403782E+00 Hb(Abramov) -0.2053488E+00 Ex_ueg -0.1153499E+00 Ec_ueg -0.1502460E-01 Delta_ex -0.1118864E+00 Delta_ec 0.1986773E-01 Delta_et -0.2744715E+00 Pxc 0.7677403E+01 Qxc -0.5631567E+01 3,-1 111 3 -1 3.269459 1.691598 0.083799 Rho 0.1427691E+00 |GRAD(Rho)| 0.3379819E-15 GRAD(Rho)x 0.2878015E-15 GRAD(Rho)y -0.1757085E-15 GRAD(Rho)z 0.2299186E-16 Laplacian 0.5637121E+00 (-1/4)Del**2(Rho)) -0.1409280E+00 Diamond 0.1083986E+01 Metallicity 0.4767375E+01 Ellipticity 0.3701202E-01 Gb(Abramov) 0.2059281E+00 Vb(Abramov) -0.2709283E+00 Hb(Abramov) -0.6500011E-01 Ex_ueg -0.5511001E-01 Ec_ueg -0.7982249E-02 Delta_ex -0.5988819E-01 Delta_ec 0.1461945E-01 Delta_et -0.1935441E+00 Pxc 0.6904072E+01 Qxc -0.4096472E+01 3,-1 112 3 -1 4.325983 -1.205932 0.032554 Rho 0.2484871E+00 |GRAD(Rho)| 0.1021907E-13 GRAD(Rho)x 0.8435201E-14 GRAD(Rho)y 0.5368590E-14 GRAD(Rho)z 0.2110684E-14 Laplacian 0.9188962E+00 (-1/4)Del**2(Rho)) -0.2297241E+00 Diamond 0.3364631E+01 Metallicity 0.7365231E+01 Ellipticity 0.1175584E-02 Gb(Abramov) 0.4351445E+00 Vb(Abramov) -0.6405650E+00 Hb(Abramov) -0.2054205E+00 Ex_ueg -0.1153781E+00 Ec_ueg -0.1502777E-01 Delta_ex -0.1119132E+00 Delta_ec 0.1987082E-01 Delta_et -0.2745172E+00 Pxc 0.7677660E+01 Qxc -0.5632041E+01 3,-1 113 3 -1 -2.874354 -1.672453 -0.243297 Rho 0.1429878E+00 |GRAD(Rho)| 0.2643330E-15 GRAD(Rho)x -0.1190996E-15 GRAD(Rho)y 0.2299322E-15 GRAD(Rho)z 0.5308864E-16 Laplacian 0.6045315E+00 (-1/4)Del**2(Rho)) -0.1511329E+00 Diamond 0.1161386E+01 Metallicity 0.4456830E+01 Ellipticity 0.8645247E-02 Gb(Abramov) 0.2130175E+00 Vb(Abramov) -0.2749021E+00 Hb(Abramov) -0.6188462E-01 Ex_ueg -0.5522264E-01 Ec_ueg -0.7996156E-02 Delta_ex -0.6421443E-01 Delta_ec 0.1561092E-01 Delta_et -0.2065867E+00 Pxc 0.6906148E+01 Qxc -0.4113431E+01 3,-1 114 3 -1 -2.409187 0.070869 2.307035 Rho 0.1429177E+00 |GRAD(Rho)| 0.1059979E-12 GRAD(Rho)x -0.2820448E-13 GRAD(Rho)y 0.1021402E-12 GRAD(Rho)z -0.2727500E-14 Laplacian 0.6037219E+00 (-1/4)Del**2(Rho)) -0.1509305E+00 Diamond 0.1158987E+01 Metallicity 0.4459159E+01 Ellipticity 0.8792123E-02 Gb(Abramov) 0.2127908E+00 Vb(Abramov) -0.2746511E+00 Hb(Abramov) -0.6186033E-01 Ex_ueg -0.5518653E-01 Ec_ueg -0.7991697E-02 Delta_ex -0.6411906E-01 Delta_ec 0.1558885E-01 Delta_et -0.2062732E+00 Pxc 0.6905483E+01 Qxc -0.4113136E+01 3,-1 115 3 -1 -2.216157 1.041939 -0.306289 Rho 0.5080456E-01 |GRAD(Rho)| 0.5648606E-16 GRAD(Rho)x -0.5516302E-16 GRAD(Rho)y 0.8014388E-18 GRAD(Rho)z 0.1212739E-16 Laplacian 0.1963055E+00 (-1/4)Del**2(Rho)) -0.4907637E-01 Diamond 0.9880586E-01 Metallicity 0.2446350E+01 Ellipticity 0.7218450E-02 Gb(Abramov) 0.5272724E-01 Vb(Abramov) -0.5637812E-01 Hb(Abramov) -0.3650876E-02 Ex_ueg -0.1389703E-01 Ec_ueg -0.2459395E-02 Delta_ex -0.1610157E-01 Delta_ec 0.5630724E-02 Delta_et -0.5955760E-01 Pxc 0.5650589E+01 Qxc -0.2859591E+01 3,-1 116 3 +1 -2.155405 1.212167 -1.252253 Rho 0.2895307E-01 |GRAD(Rho)| 0.7724671E-16 GRAD(Rho)x 0.4241774E-16 GRAD(Rho)y -0.7188410E-17 GRAD(Rho)z 0.6415696E-16 Laplacian 0.1131897E+00 (-1/4)Del**2(Rho)) -0.2829742E-01 Diamond 0.1793386E-01 Metallicity 0.1661999E+01 Ellipticity -0.4652931E+01 Gb(Abramov) 0.2670332E-01 Vb(Abramov) -0.2510923E-01 Hb(Abramov) 0.1594092E-02 Ex_ueg -0.6566156E-02 Ec_ueg -0.1289733E-02 Delta_ex -0.7305882E-02 Delta_ec 0.1890824E-02 Delta_et -0.1729672E-01 Pxc 0.5091098E+01 Qxc -0.3863861E+01 3,+1 117 3 +1 -1.765932 1.765878 1.478607 Rho 0.5649494E-02 |GRAD(Rho)| 0.5946468E-17 GRAD(Rho)x 0.3274418E-17 GRAD(Rho)y 0.4693833E-17 GRAD(Rho)z 0.1614498E-17 Laplacian 0.2350046E-01 (-1/4)Del**2(Rho)) -0.5875115E-02 Diamond 0.6201189E-03 Metallicity 0.5254757E+00 Ellipticity -0.2825765E+01 Gb(Abramov) 0.4431282E-02 Vb(Abramov) -0.2987449E-02 Hb(Abramov) 0.1443833E-02 Ex_ueg -0.7431294E-03 Ec_ueg -0.1749694E-03 Delta_ex -0.1176231E-02 Delta_ec 0.7037564E-03 Delta_et -0.3979016E-02 Pxc 0.4247197E+01 Qxc -0.1671361E+01 3,+1 118 3 -1 -1.481010 0.505386 -2.945903 Rho 0.1429810E+00 |GRAD(Rho)| 0.3944879E-15 GRAD(Rho)x -0.1353897E-15 GRAD(Rho)y -0.3209781E-15 GRAD(Rho)z -0.1851038E-15 Laplacian 0.6044182E+00 (-1/4)Del**2(Rho)) -0.1511046E+00 Diamond 0.1160917E+01 Metallicity 0.4457308E+01 Ellipticity 0.8728910E-02 Gb(Abramov) 0.2129896E+00 Vb(Abramov) -0.2748747E+00 Hb(Abramov) -0.6188507E-01 Ex_ueg -0.5521910E-01 Ec_ueg -0.7995719E-02 Delta_ex -0.6419969E-01 Delta_ec 0.1560468E-01 Delta_et -0.2064953E+00 Pxc 0.6906083E+01 Qxc -0.4114130E+01 3,-1 119 3 +1 -0.713907 -2.673564 -0.160583 Rho 0.2896002E-01 |GRAD(Rho)| 0.2373314E-16 GRAD(Rho)x -0.1083254E-16 GRAD(Rho)y -0.8518906E-17 GRAD(Rho)z -0.1932217E-16 Laplacian 0.1132111E+00 (-1/4)Del**2(Rho)) -0.2830277E-01 Diamond 0.1794866E-01 Metallicity 0.1662349E+01 Ellipticity -0.4665575E+01 Gb(Abramov) 0.2671003E-01 Vb(Abramov) -0.2511729E-01 Hb(Abramov) 0.1592743E-02 Ex_ueg -0.6568257E-02 Ec_ueg -0.1290089E-02 Delta_ex -0.7308228E-02 Delta_ec 0.1892055E-02 Delta_et -0.1730885E-01 Pxc 0.5091319E+01 Qxc -0.3862588E+01 3,+1 120 3 +1 -0.645590 -2.408334 1.483163 Rho 0.5611886E-02 |GRAD(Rho)| 0.9117156E-15 GRAD(Rho)x -0.1205063E-15 GRAD(Rho)y -0.4992736E-15 GRAD(Rho)z -0.7532792E-15 Laplacian 0.2337458E-01 (-1/4)Del**2(Rho)) -0.5843644E-02 Diamond 0.6170224E-03 Metallicity 0.5224574E+00 Ellipticity -0.2925950E+01 Gb(Abramov) 0.4404605E-02 Vb(Abramov) -0.2965566E-02 Hb(Abramov) 0.1439039E-02 Ex_ueg -0.7365409E-03 Ec_ueg -0.1733391E-03 Delta_ex -0.1172943E-02 Delta_ec 0.7081520E-03 Delta_et -0.3992487E-02 Pxc 0.4249134E+01 Qxc -0.1656344E+01 3,+1 121 3 -1 -0.613245 -2.287882 1.674555 Rho 0.5644417E-02 |GRAD(Rho)| 0.8285127E-15 GRAD(Rho)x -0.7496506E-16 GRAD(Rho)y -0.3674135E-15 GRAD(Rho)z -0.7387970E-15 Laplacian 0.2295793E-01 (-1/4)Del**2(Rho)) -0.5739483E-02 Diamond 0.7220728E-03 Metallicity 0.5370882E+00 Ellipticity 0.3311988E+01 Gb(Abramov) 0.4340090E-02 Vb(Abramov) -0.2940697E-02 Hb(Abramov) 0.1399393E-02 Ex_ueg -0.7422392E-03 Ec_ueg -0.1747493E-03 Delta_ex -0.1241299E-02 Delta_ec 0.8525330E-03 Delta_et -0.4749819E-02 Pxc 0.4247453E+01 Qxc -0.1456012E+01 3,-1 122 3 +1 -0.577053 -2.153040 1.856465 Rho 0.5611566E-02 |GRAD(Rho)| 0.2317548E-12 GRAD(Rho)x 0.1845722E-13 GRAD(Rho)y 0.6880747E-13 GRAD(Rho)z 0.2205338E-12 Laplacian 0.2337668E-01 (-1/4)Del**2(Rho)) -0.5844169E-02 Diamond 0.6166554E-03 Metallicity 0.5223607E+00 Ellipticity -0.2916341E+01 Gb(Abramov) 0.4404907E-02 Vb(Abramov) -0.2965644E-02 Hb(Abramov) 0.1439262E-02 Ex_ueg -0.7364848E-03 Ec_ueg -0.1733252E-03 Delta_ex -0.1172737E-02 Delta_ec 0.7076826E-03 Delta_et -0.3989994E-02 Pxc 0.4249151E+01 Qxc -0.1657151E+01 3,+1 123 3 -1 -1.394440 -2.452910 -2.366736 Rho 0.1434888E+00 |GRAD(Rho)| 0.4701485E-15 GRAD(Rho)x -0.4651769E-15 GRAD(Rho)y -0.4712214E-16 GRAD(Rho)z 0.4929054E-16 Laplacian 0.5670318E+00 (-1/4)Del**2(Rho)) -0.1417580E+00 Diamond 0.1096872E+01 Metallicity 0.4779352E+01 Ellipticity 0.3799652E-01 Gb(Abramov) 0.2074238E+00 Vb(Abramov) -0.2730897E+00 Hb(Abramov) -0.6566588E-01 Ex_ueg -0.5548076E-01 Ec_ueg -0.8028014E-02 Delta_ex -0.6031366E-01 Delta_ec 0.1468555E-01 Delta_et -0.1945610E+00 Pxc 0.6910894E+01 Qxc -0.4107006E+01 3,-1 124 3 +3 -0.491112 -1.831009 1.339377 Rho 0.4890859E-02 |GRAD(Rho)| 0.5088318E-15 GRAD(Rho)x 0.2447841E-16 GRAD(Rho)y 0.9689379E-16 GRAD(Rho)z -0.4989210E-15 Laplacian 0.2032821E-01 (-1/4)Del**2(Rho)) -0.5082054E-02 Diamond 0.1941321E-03 Metallicity 0.4777007E+00 Ellipticity -0.2481760E+00 Gb(Abramov) 0.3792653E-02 Vb(Abramov) -0.2503251E-02 Hb(Abramov) 0.1289401E-02 Ex_ueg -0.6131479E-03 Ec_ueg -0.1422191E-03 Delta_ex -0.7519737E-03 Delta_ec 0.1858438E-03 Delta_et -0.1186719E-02 Pxc 0.4311293E+01 Qxc -0.4046267E+01 3,+3 125 3 -1 -1.030733 -1.178774 -2.945913 Rho 0.1425689E+00 |GRAD(Rho)| 0.1729755E-13 GRAD(Rho)x 0.7438955E-14 GRAD(Rho)y -0.1560460E-13 GRAD(Rho)z 0.6030231E-15 Laplacian 0.6020998E+00 (-1/4)Del**2(Rho)) -0.1505250E+00 Diamond 0.1152588E+01 Metallicity 0.4452999E+01 Ellipticity 0.8755619E-02 Gb(Abramov) 0.2120645E+00 Vb(Abramov) -0.2736041E+00 Hb(Abramov) -0.6153959E-01 Ex_ueg -0.5500701E-01 Ec_ueg -0.7969526E-02 Delta_ex -0.6390978E-01 Delta_ec 0.1555820E-01 Delta_et -0.2057970E+00 Pxc 0.6902169E+01 Qxc -0.4107786E+01 3,-1 126 3 -1 -0.471968 -1.762532 -1.662576 Rho 0.5087352E-01 |GRAD(Rho)| 0.2137320E-13 GRAD(Rho)x -0.1334548E-13 GRAD(Rho)y -0.4883377E-14 GRAD(Rho)z 0.1596448E-13 Laplacian 0.1965773E+00 (-1/4)Del**2(Rho)) -0.4914433E-01 Diamond 0.9913301E-01 Metallicity 0.2448496E+01 Ellipticity 0.7326470E-02 Gb(Abramov) 0.5281784E-01 Vb(Abramov) -0.5649135E-01 Hb(Abramov) -0.3673507E-02 Ex_ueg -0.1392219E-01 Ec_ueg -0.2463216E-02 Delta_ex -0.1612975E-01 Delta_ec 0.5639034E-02 Delta_et -0.5966650E-01 Pxc 0.5652037E+01 Qxc -0.2860374E+01 3,-1 127 3 -1 -0.011584 3.326815 -0.243588 Rho 0.1431149E+00 |GRAD(Rho)| 0.4151845E-15 GRAD(Rho)x 0.3691708E-15 GRAD(Rho)y -0.3209916E-16 GRAD(Rho)z -0.1872451E-15 Laplacian 0.6049759E+00 (-1/4)Del**2(Rho)) -0.1512440E+00 Diamond 0.1163410E+01 Metallicity 0.4460153E+01 Ellipticity 0.8680915E-02 Gb(Abramov) 0.2132578E+00 Vb(Abramov) -0.2752717E+00 Hb(Abramov) -0.6201388E-01 Ex_ueg -0.5528807E-01 Ec_ueg -0.8004234E-02 Delta_ex -0.6427482E-01 Delta_ec 0.1561768E-01 Delta_et -0.2067007E+00 Pxc 0.6907353E+01 Qxc -0.4115515E+01 3,-1 128 3 +1 0.732789 2.737631 1.002681 Rho 0.1224674E-01 |GRAD(Rho)| 0.1188034E-16 GRAD(Rho)x 0.1165021E-16 GRAD(Rho)y -0.1411898E-17 GRAD(Rho)z 0.1849748E-17 Laplacian 0.6176592E-01 (-1/4)Del**2(Rho)) -0.1544148E-01 Diamond 0.2535567E-02 Metallicity 0.7259363E+00 Ellipticity -0.1240531E+01 Gb(Abramov) 0.1216257E-01 Vb(Abramov) -0.8883670E-02 Hb(Abramov) 0.3278905E-02 Ex_ueg -0.2084871E-02 Ec_ueg -0.4709714E-03 Delta_ex -0.3049760E-02 Delta_ec 0.7969653E-03 Delta_et -0.6009320E-02 Pxc 0.4426746E+01 Qxc -0.3826716E+01 3,+1 129 3 +1 -0.205566 -0.743330 2.661931 Rho 0.2895271E-01 |GRAD(Rho)| 0.2027335E-15 GRAD(Rho)x 0.1751390E-15 GRAD(Rho)y 0.9654092E-16 GRAD(Rho)z 0.3327228E-16 Laplacian 0.1131823E+00 (-1/4)Del**2(Rho)) -0.2829558E-01 Diamond 0.1792852E-01 Metallicity 0.1662072E+01 Ellipticity -0.4646346E+01 Gb(Abramov) 0.2670194E-01 Vb(Abramov) -0.2510830E-01 Hb(Abramov) 0.1593644E-02 Ex_ueg -0.6566047E-02 Ec_ueg -0.1289714E-02 Delta_ex -0.7305039E-02 Delta_ec 0.1890085E-02 Delta_et -0.1728998E-01 Pxc 0.5091087E+01 Qxc -0.3864926E+01 3,+1 130 3 -1 -0.165679 -0.620394 -0.227836 Rho 0.1408356E+00 |GRAD(Rho)| 0.9357316E-15 GRAD(Rho)x 0.4162238E-16 GRAD(Rho)y 0.8506153E-15 GRAD(Rho)z -0.3877047E-15 Laplacian 0.7578107E+00 (-1/4)Del**2(Rho)) -0.1894527E+00 Diamond 0.1733279E+01 Metallicity 0.3466623E+01 Ellipticity 0.8309127E-04 Gb(Abramov) 0.2357619E+00 Vb(Abramov) -0.2820712E+00 Hb(Abramov) -0.4630928E-01 Ex_ueg -0.5411717E-01 Ec_ueg -0.7859468E-02 Delta_ex -0.8348966E-01 Delta_ec 0.2551667E-01 Delta_et -0.3491893E+00 Pxc 0.6885602E+01 Qxc -0.3271966E+01 3,-1 131 3 +1 1.131415 1.057619 0.966054 Rho 0.8986572E-02 |GRAD(Rho)| 0.6762144E-17 GRAD(Rho)x 0.3394908E-17 GRAD(Rho)y 0.5800482E-17 GRAD(Rho)z 0.7453890E-18 Laplacian 0.3582017E-01 (-1/4)Del**2(Rho)) -0.8955042E-02 Diamond 0.9872731E-03 Metallicity 0.7472667E+00 Ellipticity -0.1407843E+01 Gb(Abramov) 0.7085329E-02 Vb(Abramov) -0.5215616E-02 Hb(Abramov) 0.1869713E-02 Ex_ueg -0.1379888E-02 Ec_ueg -0.3223094E-03 Delta_ex -0.1641781E-02 Delta_ec 0.4808790E-03 Delta_et -0.3342663E-02 Pxc 0.4281252E+01 Qxc -0.3414125E+01 3,+1 132 3 -1 0.000079 -0.000380 0.679914 Rho 0.1407719E+00 |GRAD(Rho)| 0.1281786E-15 GRAD(Rho)x 0.4444222E-17 GRAD(Rho)y -0.1296278E-18 GRAD(Rho)z -0.1281015E-15 Laplacian 0.7569003E+00 (-1/4)Del**2(Rho)) -0.1892251E+00 Diamond 0.1730004E+01 Metallicity 0.3468174E+01 Ellipticity 0.1861333E-03 Gb(Abramov) 0.2355276E+00 Vb(Abramov) -0.2818302E+00 Hb(Abramov) -0.4630257E-01 Ex_ueg -0.5408451E-01 Ec_ueg -0.7855423E-02 Delta_ex -0.8337801E-01 Delta_ec 0.2548366E-01 Delta_et -0.3486980E+00 Pxc 0.6884990E+01 Qxc -0.3271822E+01 3,-1 133 3 -1 1.206760 -4.326094 0.030809 Rho 0.2484908E+00 |GRAD(Rho)| 0.3193256E-15 GRAD(Rho)x 0.6559423E-16 GRAD(Rho)y -0.3101902E-15 GRAD(Rho)z 0.3805550E-16 Laplacian 0.9189024E+00 (-1/4)Del**2(Rho)) -0.2297256E+00 Diamond 0.3364660E+01 Metallicity 0.7365366E+01 Ellipticity 0.1142609E-02 Gb(Abramov) 0.4351526E+00 Vb(Abramov) -0.6405796E+00 Hb(Abramov) -0.2054270E+00 Ex_ueg -0.1153804E+00 Ec_ueg -0.1502803E-01 Delta_ex -0.1119142E+00 Delta_ec 0.1987037E-01 Delta_et -0.2745089E+00 Pxc 0.7677681E+01 Qxc -0.5632213E+01 3,-1 134 3 -1 1.655124 -2.887416 -0.245437 Rho 0.1426570E+00 |GRAD(Rho)| 0.1528604E-15 GRAD(Rho)x -0.1327606E-15 GRAD(Rho)y -0.1559896E-16 GRAD(Rho)z -0.7414588E-16 Laplacian 0.6024944E+00 (-1/4)Del**2(Rho)) -0.1506236E+00 Diamond 0.1154143E+01 Metallicity 0.4454669E+01 Ellipticity 0.8754768E-02 Gb(Abramov) 0.2122454E+00 Vb(Abramov) -0.2738673E+00 Hb(Abramov) -0.6162184E-01 Ex_ueg -0.5505236E-01 Ec_ueg -0.7975127E-02 Delta_ex -0.6396069E-01 Delta_ec 0.1556498E-01 Delta_et -0.2059032E+00 Pxc 0.6903007E+01 Qxc -0.4109271E+01 3,-1 135 3 -1 0.884255 -3.093564 0.881303 Rho 0.1427282E+00 |GRAD(Rho)| 0.4147921E-13 GRAD(Rho)x -0.3018190E-14 GRAD(Rho)y -0.1890686E-13 GRAD(Rho)z -0.3679601E-13 Laplacian 0.6032856E+00 (-1/4)Del**2(Rho)) -0.1508214E+00 Diamond 0.1156571E+01 Metallicity 0.4452526E+01 Ellipticity 0.8625320E-02 Gb(Abramov) 0.2124703E+00 Vb(Abramov) -0.2741192E+00 Hb(Abramov) -0.6164889E-01 Ex_ueg -0.5508898E-01 Ec_ueg -0.7979650E-02 Delta_ex -0.6405482E-01 Delta_ec 0.1558769E-01 Delta_et -0.2062279E+00 Pxc 0.6903683E+01 Qxc -0.4109321E+01 3,-1 136 3 -1 2.288214 0.613486 1.673489 Rho 0.5646598E-02 |GRAD(Rho)| 0.3386318E-15 GRAD(Rho)x 0.2852267E-15 GRAD(Rho)y 0.1690815E-15 GRAD(Rho)z 0.6876558E-16 Laplacian 0.2296823E-01 (-1/4)Del**2(Rho)) -0.5742057E-02 Diamond 0.7229005E-03 Metallicity 0.5371932E+00 Ellipticity 0.3298269E+01 Gb(Abramov) 0.4342137E-02 Vb(Abramov) -0.2942217E-02 Hb(Abramov) 0.1399920E-02 Ex_ueg -0.7426216E-03 Ec_ueg -0.1748438E-03 Delta_ex -0.1242046E-02 Delta_ec 0.8530969E-03 Delta_et -0.4753458E-02 Pxc 0.4247343E+01 Qxc -0.1455926E+01 3,-1 137 3 +1 2.152424 0.577145 1.856948 Rho 0.5612955E-02 |GRAD(Rho)| 0.4313291E-14 GRAD(Rho)x -0.2348246E-14 GRAD(Rho)y -0.6194343E-15 GRAD(Rho)z 0.3564621E-14 Laplacian 0.2338776E-01 (-1/4)Del**2(Rho)) -0.5846940E-02 Diamond 0.6165578E-03 Metallicity 0.5223286E+00 Ellipticity -0.2897146E+01 Gb(Abramov) 0.4406964E-02 Vb(Abramov) -0.2966988E-02 Hb(Abramov) 0.1439976E-02 Ex_ueg -0.7367279E-03 Ec_ueg -0.1733854E-03 Delta_ex -0.1172877E-02 Delta_ec 0.7071718E-03 Delta_et -0.3987759E-02 Pxc 0.4249078E+01 Qxc -0.1658545E+01 3,+1 138 3 -1 2.460643 0.658013 -3.698546 Rho 0.2484610E+00 |GRAD(Rho)| 0.5616731E-14 GRAD(Rho)x -0.5164597E-15 GRAD(Rho)y -0.4782606E-14 GRAD(Rho)z 0.2899590E-14 Laplacian 0.9189486E+00 (-1/4)Del**2(Rho)) -0.2297372E+00 Diamond 0.3364180E+01 Metallicity 0.7363524E+01 Ellipticity 0.1143393E-02 Gb(Abramov) 0.4351039E+00 Vb(Abramov) -0.6404707E+00 Hb(Abramov) -0.2053668E+00 Ex_ueg -0.1153620E+00 Ec_ueg -0.1502596E-01 Delta_ex -0.1119154E+00 Delta_ec 0.1987061E-01 Delta_et -0.2745046E+00 Pxc 0.7677513E+01 Qxc -0.5632210E+01 3,-1 139 3 -1 2.452793 1.393527 -2.366374 Rho 0.1426795E+00 |GRAD(Rho)| 0.3436154E-13 GRAD(Rho)x -0.1402542E-13 GRAD(Rho)y 0.3120258E-13 GRAD(Rho)z -0.3225190E-14 Laplacian 0.5632758E+00 (-1/4)Del**2(Rho)) -0.1408190E+00 Diamond 0.1082231E+01 Metallicity 0.4766079E+01 Ellipticity 0.3708426E-01 Gb(Abramov) 0.2057383E+00 Vb(Abramov) -0.2706577E+00 Hb(Abramov) -0.6491939E-01 Ex_ueg -0.5506391E-01 Ec_ueg -0.7976554E-02 Delta_ex -0.5983162E-01 Delta_ec 0.1460849E-01 Delta_et -0.1933768E+00 Pxc 0.6903220E+01 Qxc -0.4095675E+01 3,-1 140 3 +1 2.127599 1.260554 -1.251546 Rho 0.2897450E-01 |GRAD(Rho)| 0.1469004E-14 GRAD(Rho)x -0.8132820E-15 GRAD(Rho)y 0.1150413E-14 GRAD(Rho)z 0.4160476E-15 Laplacian 0.1133543E+00 (-1/4)Del**2(Rho)) -0.2833859E-01 Diamond 0.1799737E-01 Metallicity 0.1661632E+01 Ellipticity -0.4679896E+01 Gb(Abramov) 0.2674044E-01 Vb(Abramov) -0.2514229E-01 Hb(Abramov) 0.1598146E-02 Ex_ueg -0.6572636E-02 Ec_ueg -0.1290833E-02 Delta_ex -0.7319677E-02 Delta_ec 0.1896616E-02 Delta_et -0.1735238E-01 Pxc 0.5091780E+01 Qxc -0.3859335E+01 3,+1 141 3 -1 2.010048 1.397955 -0.305931 Rho 0.5082193E-01 |GRAD(Rho)| 0.1144152E-13 GRAD(Rho)x -0.4361493E-14 GRAD(Rho)y 0.1057754E-13 GRAD(Rho)z -0.3872868E-16 Laplacian 0.1963250E+00 (-1/4)Del**2(Rho)) -0.4908126E-01 Diamond 0.9885459E-01 Metallicity 0.2447500E+01 Ellipticity 0.7101674E-02 Gb(Abramov) 0.5274190E-01 Vb(Abramov) -0.5640255E-01 Hb(Abramov) -0.3660642E-02 Ex_ueg -0.1390336E-01 Ec_ueg -0.2460357E-02 Delta_ex -0.1610428E-01 Delta_ec 0.5630740E-02 Delta_et -0.5956283E-01 Pxc 0.5650953E+01 Qxc -0.2860064E+01 3,-1 142 3 -1 3.465530 -0.625517 -1.080230 Rho 0.1426539E+00 |GRAD(Rho)| 0.1984345E-12 GRAD(Rho)x 0.4808764E-13 GRAD(Rho)y -0.3560157E-14 GRAD(Rho)z 0.1924868E-12 Laplacian 0.5633417E+00 (-1/4)Del**2(Rho)) -0.1408354E+00 Diamond 0.1082155E+01 Metallicity 0.4764095E+01 Ellipticity 0.3693096E-01 Gb(Abramov) 0.2057159E+00 Vb(Abramov) -0.2705963E+00 Hb(Abramov) -0.6488043E-01 Ex_ueg -0.5505073E-01 Ec_ueg -0.7974926E-02 Delta_ex -0.5983633E-01 Delta_ec 0.1461142E-01 Delta_et -0.1934116E+00 Pxc 0.6902977E+01 Qxc -0.4095176E+01 3,-1 143 3 -1 3.678019 0.168968 0.083505 Rho 0.1431559E+00 |GRAD(Rho)| 0.3887985E-15 GRAD(Rho)x 0.6387306E-16 GRAD(Rho)y 0.1425184E-15 GRAD(Rho)z 0.3560520E-15 Laplacian 0.5658149E+00 (-1/4)Del**2(Rho)) -0.1414537E+00 Diamond 0.1091526E+01 Metallicity 0.4771124E+01 Ellipticity 0.3759506E-01 Gb(Abramov) 0.2067847E+00 Vb(Abramov) -0.2721157E+00 Hb(Abramov) -0.6533096E-01 Ex_ueg -0.5530918E-01 Ec_ueg -0.8006840E-02 Delta_ex -0.6015076E-01 Delta_ec 0.1466346E-01 Delta_et -0.1942034E+00 Pxc 0.6907742E+01 Qxc -0.4102086E+01 3,-1 144 3 +1 -2.737308 -0.732709 1.002705 Rho 0.1224370E-01 |GRAD(Rho)| 0.3085872E-16 GRAD(Rho)x -0.6489596E-17 GRAD(Rho)y 0.1478642E-17 GRAD(Rho)z -0.3013236E-16 Laplacian 0.6176415E-01 (-1/4)Del**2(Rho)) -0.1544104E-01 Diamond 0.2535204E-02 Metallicity 0.7256565E+00 Ellipticity -0.1240566E+01 Gb(Abramov) 0.1216151E-01 Vb(Abramov) -0.8881976E-02 Hb(Abramov) 0.3279531E-02 Ex_ueg -0.2084180E-02 Ec_ueg -0.4708306E-03 Delta_ex -0.3049634E-02 Delta_ec 0.7972311E-03 Delta_et -0.6010740E-02 Pxc 0.4426602E+01 Qxc -0.3825282E+01 3,+1 145 3 -1 -3.120419 0.781948 0.882787 Rho 0.1426175E+00 |GRAD(Rho)| 0.5145007E-15 GRAD(Rho)x 0.3450677E-15 GRAD(Rho)y 0.4415413E-16 GRAD(Rho)z -0.3790642E-15 Laplacian 0.6028150E+00 (-1/4)Del**2(Rho)) -0.1507038E+00 Diamond 0.1154538E+01 Metallicity 0.4450246E+01 Ellipticity 0.8644187E-02 Gb(Abramov) 0.2122473E+00 Vb(Abramov) -0.2737908E+00 Hb(Abramov) -0.6154355E-01 Ex_ueg -0.5503205E-01 Ec_ueg -0.7972618E-02 Delta_ex -0.6399216E-01 Delta_ec 0.1557743E-01 Delta_et -0.2060662E+00 Pxc 0.6902632E+01 Qxc -0.4108005E+01 3,-1 146 3 -1 -1.799629 1.801166 -3.698256 Rho 0.2484069E+00 |GRAD(Rho)| 0.9939396E-15 GRAD(Rho)x -0.1576701E-15 GRAD(Rho)y -0.1435755E-15 GRAD(Rho)z -0.9707946E-15 Laplacian 0.9188248E+00 (-1/4)Del**2(Rho)) -0.2297062E+00 Diamond 0.3362799E+01 Metallicity 0.7361842E+01 Ellipticity 0.1198190E-02 Gb(Abramov) 0.4349809E+00 Vb(Abramov) -0.6402557E+00 Hb(Abramov) -0.2052747E+00 Ex_ueg -0.1153285E+00 Ec_ueg -0.1502219E-01 Delta_ex -0.1118937E+00 Delta_ec 0.1986883E-01 Delta_et -0.2744770E+00 Pxc 0.7677207E+01 Qxc -0.5631620E+01 3,-1 147 3 -1 -1.691793 -3.269231 0.084514 Rho 0.1432586E+00 |GRAD(Rho)| 0.3289180E-15 GRAD(Rho)x 0.2978710E-15 GRAD(Rho)y 0.1390625E-15 GRAD(Rho)z -0.1102498E-16 Laplacian 0.5661652E+00 (-1/4)Del**2(Rho)) -0.1415413E+00 Diamond 0.1093193E+01 Metallicity 0.4773876E+01 Ellipticity 0.3765823E-01 Gb(Abramov) 0.2069776E+00 Vb(Abramov) -0.2724140E+00 Hb(Abramov) -0.6543633E-01 Ex_ueg -0.5536211E-01 Ec_ueg -0.8013373E-02 Delta_ex -0.6019906E-01 Delta_ec 0.1467090E-01 Delta_et -0.1943248E+00 Pxc 0.6908715E+01 Qxc -0.4103296E+01 3,-1 148 3 +1 0.389326 2.339655 -1.669501 Rho 0.5615041E-02 |GRAD(Rho)| 0.7233397E-15 GRAD(Rho)x -0.6898023E-15 GRAD(Rho)y 0.2151070E-15 GRAD(Rho)z -0.3349772E-16 Laplacian 0.2339122E-01 (-1/4)Del**2(Rho)) -0.5847804E-02 Diamond 0.6171630E-03 Metallicity 0.5225749E+00 Ellipticity -0.2909053E+01 Gb(Abramov) 0.4407855E-02 Vb(Abramov) -0.2967907E-02 Hb(Abramov) 0.1439949E-02 Ex_ueg -0.7370930E-03 Ec_ueg -0.1734758E-03 Delta_ex -0.1173300E-02 Delta_ec 0.7075684E-03 Delta_et -0.3990316E-02 Pxc 0.4248968E+01 Qxc -0.1658215E+01 3,+1 149 3 -1 -0.018285 -2.822330 -2.367188 Rho 0.1425982E+00 |GRAD(Rho)| 0.3326715E-15 GRAD(Rho)x 0.5942783E-16 GRAD(Rho)y -0.2778675E-15 GRAD(Rho)z 0.1729980E-15 Laplacian 0.5630546E+00 (-1/4)Del**2(Rho)) -0.1407637E+00 Diamond 0.1081175E+01 Metallicity 0.4763425E+01 Ellipticity 0.3677781E-01 Gb(Abramov) 0.2055953E+00 Vb(Abramov) -0.2704269E+00 Hb(Abramov) -0.6483163E-01 Ex_ueg -0.5502209E-01 Ec_ueg -0.7971388E-02 Delta_ex -0.5980098E-01 Delta_ec 0.1460686E-01 Delta_et -0.1933430E+00 Pxc 0.6902448E+01 Qxc -0.4094036E+01 3,-1 150 3 +1 0.028741 -2.473454 -1.253273 Rho 0.2892937E-01 |GRAD(Rho)| 0.5214740E-16 GRAD(Rho)x 0.1481740E-16 GRAD(Rho)y -0.3611302E-16 GRAD(Rho)z -0.3457812E-16 Laplacian 0.1130445E+00 (-1/4)Del**2(Rho)) -0.2826112E-01 Diamond 0.1787285E-01 Metallicity 0.1661863E+01 Ellipticity -0.4619655E+01 Gb(Abramov) 0.2666844E-01 Vb(Abramov) -0.2507575E-01 Hb(Abramov) 0.1592687E-02 Ex_ueg -0.6558990E-02 Ec_ueg -0.1288516E-02 Delta_ex -0.7293306E-02 Delta_ec 0.1885558E-02 Delta_et -0.1724555E-01 Pxc 0.5090344E+01 Qxc -0.3867982E+01 3,+1 151 3 -1 0.206777 -2.440740 -0.307189 Rho 0.5082110E-01 |GRAD(Rho)| 0.3074149E-14 GRAD(Rho)x 0.1365455E-14 GRAD(Rho)y -0.2754247E-14 GRAD(Rho)z 0.7029103E-17 Laplacian 0.1963498E+00 (-1/4)Del**2(Rho)) -0.4908746E-01 Diamond 0.9887473E-01 Metallicity 0.2447124E+01 Ellipticity 0.7387464E-02 Gb(Abramov) 0.5274549E-01 Vb(Abramov) -0.5640353E-01 Hb(Abramov) -0.3658034E-02 Ex_ueg -0.1390306E-01 Ec_ueg -0.2460311E-02 Delta_ex -0.1610666E-01 Delta_ec 0.5632192E-02 Delta_et -0.5957818E-01 Pxc 0.5650936E+01 Qxc -0.2859750E+01 3,-1 152 3 -1 1.143646 -2.121161 2.304758 Rho 0.1429129E+00 |GRAD(Rho)| 0.2335040E-15 GRAD(Rho)x 0.1980024E-16 GRAD(Rho)y -0.1540245E-15 GRAD(Rho)z -0.1743804E-15 Laplacian 0.6037815E+00 (-1/4)Del**2(Rho)) -0.1509454E+00 Diamond 0.1159094E+01 Metallicity 0.4458469E+01 Ellipticity 0.8751239E-02 Gb(Abramov) 0.2127944E+00 Vb(Abramov) -0.2746435E+00 Hb(Abramov) -0.6184907E-01 Ex_ueg -0.5518405E-01 Ec_ueg -0.7991392E-02 Delta_ex -0.6412528E-01 Delta_ec 0.1559127E-01 Delta_et -0.2063057E+00 Pxc 0.6905437E+01 Qxc -0.4112898E+01 3,-1 153 3 -1 0.429816 -1.437857 3.361784 Rho 0.1432241E+00 |GRAD(Rho)| 0.2725750E-12 GRAD(Rho)x -0.2512118E-12 GRAD(Rho)y -0.5155705E-13 GRAD(Rho)z 0.9236705E-13 Laplacian 0.5661640E+00 (-1/4)Del**2(Rho)) -0.1415410E+00 Diamond 0.1092780E+01 Metallicity 0.4771972E+01 Ellipticity 0.3786153E-01 Gb(Abramov) 0.2069323E+00 Vb(Abramov) -0.2723236E+00 Hb(Abramov) -0.6539128E-01 Ex_ueg -0.5534435E-01 Ec_ueg -0.8011181E-02 Delta_ex -0.6019438E-01 Delta_ec 0.1466992E-01 Delta_et -0.1943010E+00 Pxc 0.6908388E+01 Qxc -0.4103251E+01 3,-1 154 3 -1 1.672110 2.875406 -0.243837 Rho 0.1425644E+00 |GRAD(Rho)| 0.2911096E-12 GRAD(Rho)x -0.2834837E-12 GRAD(Rho)y 0.5270781E-13 GRAD(Rho)z 0.4004577E-13 Laplacian 0.6022396E+00 (-1/4)Del**2(Rho)) -0.1505599E+00 Diamond 0.1152903E+01 Metallicity 0.4451732E+01 Ellipticity 0.8672012E-02 Gb(Abramov) 0.2120820E+00 Vb(Abramov) -0.2736041E+00 Hb(Abramov) -0.6152209E-01 Ex_ueg -0.5500471E-01 Ec_ueg -0.7969241E-02 Delta_ex -0.6392510E-01 Delta_ec 0.1556367E-01 Delta_et -0.2058720E+00 Pxc 0.6902126E+01 Qxc -0.4107328E+01 3,-1 155 3 -1 -1.985725 3.100671 0.084409 Rho 0.1430664E+00 |GRAD(Rho)| 0.2597889E-14 GRAD(Rho)x 0.2481495E-14 GRAD(Rho)y 0.7504102E-15 GRAD(Rho)z -0.1676109E-15 Laplacian 0.5654251E+00 (-1/4)Del**2(Rho)) -0.1413563E+00 Diamond 0.1090009E+01 Metallicity 0.4769438E+01 Ellipticity 0.3739599E-01 Gb(Abramov) 0.2066025E+00 Vb(Abramov) -0.2718488E+00 Hb(Abramov) -0.6524626E-01 Ex_ueg -0.5526308E-01 Ec_ueg -0.8001149E-02 Delta_ex -0.6010073E-01 Delta_ec 0.1465660E-01 Delta_et -0.1940966E+00 Pxc 0.6906893E+01 Qxc -0.4100592E+01 3,-1 156 3 -1 -0.926974 -0.247484 2.274026 Rho 0.5068258E-01 |GRAD(Rho)| 0.2615618E-15 GRAD(Rho)x -0.2267422E-15 GRAD(Rho)y -0.4110831E-16 GRAD(Rho)z 0.1237443E-15 Laplacian 0.1956773E+00 (-1/4)Del**2(Rho)) -0.4891932E-01 Diamond 0.9815636E-01 Metallicity 0.2444391E+01 Ellipticity 0.7271003E-02 Gb(Abramov) 0.5254253E-01 Vb(Abramov) -0.5616575E-01 Hb(Abramov) -0.3623214E-02 Ex_ueg -0.1385256E-01 Ec_ueg -0.2452639E-02 Delta_ex -0.1603975E-01 Delta_ec 0.5611921E-02 Delta_et -0.5932168E-01 Pxc 0.5648022E+01 Qxc -0.2858157E+01 3,-1 157 3 -1 0.302908 -1.536922 -2.945897 Rho 0.1427510E+00 |GRAD(Rho)| 0.1026171E-15 GRAD(Rho)x 0.7659888E-16 GRAD(Rho)y 0.1089623E-16 GRAD(Rho)z 0.6741027E-16 Laplacian 0.6034068E+00 (-1/4)Del**2(Rho)) -0.1508517E+00 Diamond 0.1156851E+01 Metallicity 0.4452817E+01 Ellipticity 0.8682888E-02 Gb(Abramov) 0.2125203E+00 Vb(Abramov) -0.2741889E+00 Hb(Abramov) -0.6166859E-01 Ex_ueg -0.5510071E-01 Ec_ueg -0.7981099E-02 Delta_ex -0.6406833E-01 Delta_ec 0.1558690E-01 Delta_et -0.2062153E+00 Pxc 0.6903900E+01 Qxc -0.4110396E+01 3,-1 158 3 -1 2.887717 -1.654459 -0.244606 Rho 0.1428498E+00 |GRAD(Rho)| 0.2453744E-15 GRAD(Rho)x -0.5481997E-16 GRAD(Rho)y -0.2324258E-15 GRAD(Rho)z -0.5640562E-16 Laplacian 0.6037754E+00 (-1/4)Del**2(Rho)) -0.1509439E+00 Diamond 0.1158541E+01 Metallicity 0.4455234E+01 Ellipticity 0.8729903E-02 Gb(Abramov) 0.2127109E+00 Vb(Abramov) -0.2744780E+00 Hb(Abramov) -0.6176708E-01 Ex_ueg -0.5515158E-01 Ec_ueg -0.7987382E-02 Delta_ex -0.6411851E-01 Delta_ec 0.1559418E-01 Delta_et -0.2063337E+00 Pxc 0.6904838E+01 Qxc -0.4111695E+01 3,-1 159 3 -1 1.179630 1.029426 -2.945703 Rho 0.1426233E+00 |GRAD(Rho)| 0.5928248E-16 GRAD(Rho)x -0.2531612E-16 GRAD(Rho)y -0.5288196E-16 GRAD(Rho)z -0.8775261E-17 Laplacian 0.6028110E+00 (-1/4)Del**2(Rho)) -0.1507028E+00 Diamond 0.1154598E+01 Metallicity 0.4450574E+01 Ellipticity 0.8657370E-02 Gb(Abramov) 0.2122541E+00 Vb(Abramov) -0.2738055E+00 Hb(Abramov) -0.6155138E-01 Ex_ueg -0.5503500E-01 Ec_ueg -0.7972983E-02 Delta_ex -0.6399249E-01 Delta_ec 0.1557740E-01 Delta_et -0.2060674E+00 Pxc 0.6902686E+01 Qxc -0.4108035E+01 3,-1 160 3 -1 1.536370 -0.304637 -2.945852 Rho 0.1427201E+00 |GRAD(Rho)| 0.3716398E-15 GRAD(Rho)x 0.2566578E-15 GRAD(Rho)y 0.2485533E-15 GRAD(Rho)z 0.1022945E-15 Laplacian 0.6028007E+00 (-1/4)Del**2(Rho)) -0.1507002E+00 Diamond 0.1155286E+01 Metallicity 0.4455685E+01 Ellipticity 0.8766153E-02 Gb(Abramov) 0.2123789E+00 Vb(Abramov) -0.2740575E+00 Hb(Abramov) -0.6167869E-01 Ex_ueg -0.5508480E-01 Ec_ueg -0.7979134E-02 Delta_ex -0.6399949E-01 Delta_ec 0.1557011E-01 Delta_et -0.2059824E+00 Pxc 0.6903606E+01 Qxc -0.4110406E+01 3,-1 161 3 -1 1.762613 0.470892 -1.662443 Rho 0.5087129E-01 |GRAD(Rho)| 0.5329626E-16 GRAD(Rho)x -0.1827982E-16 GRAD(Rho)y -0.3419366E-18 GRAD(Rho)z 0.5006219E-16 Laplacian 0.1965627E+00 (-1/4)Del**2(Rho)) -0.4914067E-01 Diamond 0.9911828E-01 Metallicity 0.2448499E+01 Ellipticity 0.7323196E-02 Gb(Abramov) 0.5281393E-01 Vb(Abramov) -0.5648719E-01 Hb(Abramov) -0.3673259E-02 Ex_ueg -0.1392137E-01 Ec_ueg -0.2463092E-02 Delta_ex -0.1612830E-01 Delta_ec 0.5638509E-02 Delta_et -0.5966024E-01 Pxc 0.5651991E+01 Qxc -0.2860385E+01 3,-1 162 3 -1 2.440563 -0.206516 -0.306253 Rho 0.5083251E-01 |GRAD(Rho)| 0.8651813E-15 GRAD(Rho)x 0.2171504E-15 GRAD(Rho)y 0.8310710E-15 GRAD(Rho)z 0.1034661E-15 Laplacian 0.1963663E+00 (-1/4)Del**2(Rho)) -0.4909158E-01 Diamond 0.9891597E-01 Metallicity 0.2447834E+01 Ellipticity 0.7455481E-02 Gb(Abramov) 0.5275573E-01 Vb(Abramov) -0.5641988E-01 Hb(Abramov) -0.3664149E-02 Ex_ueg -0.1390722E-01 Ec_ueg -0.2460943E-02 Delta_ex -0.1610905E-01 Delta_ec 0.5632862E-02 Delta_et -0.5958877E-01 Pxc 0.5651176E+01 Qxc -0.2859833E+01 3,-1 163 3 -1 0.677312 -0.678473 2.272448 Rho 0.5101511E-01 |GRAD(Rho)| 0.6602977E-16 GRAD(Rho)x -0.1316162E-16 GRAD(Rho)y 0.5472299E-16 GRAD(Rho)z 0.3452676E-16 Laplacian 0.1970659E+00 (-1/4)Del**2(Rho)) -0.4926646E-01 Diamond 0.9975652E-01 Metallicity 0.2453766E+01 Ellipticity 0.7395863E-02 Gb(Abramov) 0.5299237E-01 Vb(Abramov) -0.5671828E-01 Hb(Abramov) -0.3725911E-02 Ex_ueg -0.1397388E-01 Ec_ueg -0.2471062E-02 Delta_ex -0.1618128E-01 Delta_ec 0.5652980E-02 Delta_et -0.5985689E-01 Pxc 0.5655008E+01 Qxc -0.2862434E+01 3,-1 164 3 -1 3.092767 -0.884021 0.882751 Rho 0.1428120E+00 |GRAD(Rho)| 0.1198767E-12 GRAD(Rho)x 0.5471230E-13 GRAD(Rho)y 0.8798456E-14 GRAD(Rho)z -0.1062994E-12 Laplacian 0.6032302E+00 (-1/4)Del**2(Rho)) -0.1508076E+00 Diamond 0.1157129E+01 Metallicity 0.4457293E+01 Ellipticity 0.8736449E-02 Gb(Abramov) 0.2125706E+00 Vb(Abramov) -0.2743337E+00 Hb(Abramov) -0.6176306E-01 Ex_ueg -0.5513211E-01 Ec_ueg -0.7984978E-02 Delta_ex -0.6405650E-01 Delta_ec 0.1558114E-01 Delta_et -0.2061532E+00 Pxc 0.6904479E+01 Qxc -0.4111155E+01 3,-1 165 3 -1 -2.433277 1.426752 -2.366520 Rho 0.1423516E+00 |GRAD(Rho)| 0.2299208E-13 GRAD(Rho)x 0.4789436E-14 GRAD(Rho)y 0.3603561E-14 GRAD(Rho)z -0.2219710E-13 Laplacian 0.5620151E+00 (-1/4)Del**2(Rho)) -0.1405038E+00 Diamond 0.1076794E+01 Metallicity 0.4758491E+01 Ellipticity 0.3689396E-01 Gb(Abramov) 0.2051002E+00 Vb(Abramov) -0.2696966E+00 Hb(Abramov) -0.6459641E-01 Ex_ueg -0.5489528E-01 Ec_ueg -0.7955721E-02 Delta_ex -0.5966388E-01 Delta_ec 0.1458329E-01 Delta_et -0.1929752E+00 Pxc 0.6900102E+01 Qxc -0.4091249E+01 3,-1 166 3 -1 -3.100372 1.986227 0.083754 Rho 0.1428659E+00 |GRAD(Rho)| 0.1183502E-15 GRAD(Rho)x 0.9199455E-16 GRAD(Rho)y -0.7434916E-16 GRAD(Rho)z -0.3997996E-17 Laplacian 0.5640842E+00 (-1/4)Del**2(Rho)) -0.1410210E+00 Diamond 0.1085554E+01 Metallicity 0.4769617E+01 Ellipticity 0.3703662E-01 Gb(Abramov) 0.2061168E+00 Vb(Abramov) -0.2712125E+00 Hb(Abramov) -0.6509571E-01 Ex_ueg -0.5515986E-01 Ec_ueg -0.7988404E-02 Delta_ex -0.5993728E-01 Delta_ec 0.1462609E-01 Delta_et -0.1936503E+00 Pxc 0.6904991E+01 Qxc -0.4097971E+01 3,-1 167 3 -1 -1.118188 4.348916 0.033662 Rho 0.2484202E+00 |GRAD(Rho)| 0.9612196E-15 GRAD(Rho)x -0.3245830E-16 GRAD(Rho)y -0.9499779E-15 GRAD(Rho)z -0.1429385E-15 Laplacian 0.9188231E+00 (-1/4)Del**2(Rho)) -0.2297058E+00 Diamond 0.3363070E+01 Metallicity 0.7362514E+01 Ellipticity 0.1149909E-02 Gb(Abramov) 0.4350058E+00 Vb(Abramov) -0.6403059E+00 Hb(Abramov) -0.2053001E+00 Ex_ueg -0.1153367E+00 Ec_ueg -0.1502312E-01 Delta_ex -0.1118954E+00 Delta_ec 0.1986902E-01 Delta_et -0.2744824E+00 Pxc 0.7677282E+01 Qxc -0.5631651E+01 3,-1 168 3 -1 -0.453665 0.453628 -0.227635 Rho 0.1408220E+00 |GRAD(Rho)| 0.3790907E-12 GRAD(Rho)x 0.4932188E-13 GRAD(Rho)y -0.3708911E-12 GRAD(Rho)z 0.6096657E-13 Laplacian 0.7574809E+00 (-1/4)Del**2(Rho)) -0.1893702E+00 Diamond 0.1732167E+01 Metallicity 0.3467572E+01 Ellipticity 0.8513839E-04 Gb(Abramov) 0.2356893E+00 Vb(Abramov) -0.2820084E+00 Hb(Abramov) -0.4631908E-01 Ex_ueg -0.5411018E-01 Ec_ueg -0.7858602E-02 Delta_ex -0.8344978E-01 Delta_ec 0.2550307E-01 Delta_et -0.3489916E+00 Pxc 0.6885471E+01 Qxc -0.3272146E+01 3,-1 169 3 -1 0.612677 2.287429 -1.674599 Rho 0.5648108E-02 |GRAD(Rho)| 0.1130038E-14 GRAD(Rho)x 0.2341241E-15 GRAD(Rho)y -0.9362579E-15 GRAD(Rho)z 0.5878717E-15 Laplacian 0.2296779E-01 (-1/4)Del**2(Rho)) -0.5741947E-02 Diamond 0.7230385E-03 Metallicity 0.5374428E+00 Ellipticity 0.3281973E+01 Gb(Abramov) 0.4342293E-02 Vb(Abramov) -0.2942638E-02 Hb(Abramov) 0.1399654E-02 Ex_ueg -0.7428863E-03 Ec_ueg -0.1749093E-03 Delta_ex -0.1241998E-02 Delta_ec 0.8529287E-03 Delta_et -0.4752959E-02 Pxc 0.4247267E+01 Qxc -0.1456157E+01 3,-1 170 3 -1 0.248213 0.926442 2.274140 Rho 0.5062210E-01 |GRAD(Rho)| 0.1252640E-15 GRAD(Rho)x 0.3163086E-16 GRAD(Rho)y 0.1117414E-15 GRAD(Rho)z 0.4695104E-16 Laplacian 0.1954081E+00 (-1/4)Del**2(Rho)) -0.4885204E-01 Diamond 0.9785354E-01 Metallicity 0.2442891E+01 Ellipticity 0.7282325E-02 Gb(Abramov) 0.5245806E-01 Vb(Abramov) -0.5606407E-01 Hb(Abramov) -0.3606019E-02 Ex_ueg -0.1383052E-01 Ec_ueg -0.2449290E-02 Delta_ex -0.1601246E-01 Delta_ec 0.5603593E-02 Delta_et -0.5921524E-01 Pxc 0.5646747E+01 Qxc -0.2857535E+01 3,-1 171 3 -1 1.029784 1.092597 3.363113 Rho 0.1434849E+00 |GRAD(Rho)| 0.2774524E-15 GRAD(Rho)x -0.1535501E-16 GRAD(Rho)y 0.2177078E-15 GRAD(Rho)z 0.1713107E-15 Laplacian 0.5669526E+00 (-1/4)Del**2(Rho)) -0.1417381E+00 Diamond 0.1096751E+01 Metallicity 0.4779805E+01 Ellipticity 0.3776738E-01 Gb(Abramov) 0.2074055E+00 Vb(Abramov) -0.2730729E+00 Hb(Abramov) -0.6566740E-01 Ex_ueg -0.5547876E-01 Ec_ueg -0.8027768E-02 Delta_ex -0.6030555E-01 Delta_ec 0.1468488E-01 Delta_et -0.1945541E+00 Pxc 0.6910857E+01 Qxc -0.4106642E+01 3,-1 172 3 -1 2.822311 0.017381 -2.367331 Rho 0.1434062E+00 |GRAD(Rho)| 0.7970893E-12 GRAD(Rho)x 0.5677506E-12 GRAD(Rho)y -0.4168113E-12 GRAD(Rho)z 0.3732009E-12 Laplacian 0.5668054E+00 (-1/4)Del**2(Rho)) -0.1417013E+00 Diamond 0.1095820E+01 Metallicity 0.4776676E+01 Ellipticity 0.3765144E-01 Gb(Abramov) 0.2072778E+00 Vb(Abramov) -0.2728542E+00 Hb(Abramov) -0.6557645E-01 Ex_ueg -0.5543818E-01 Ec_ueg -0.8022761E-02 Delta_ex -0.6028264E-01 Delta_ec 0.1468447E-01 Delta_et -0.1945359E+00 Pxc 0.6910112E+01 Qxc -0.4105195E+01 3,-1 173 3 -1 -0.781519 3.119944 0.884182 Rho 0.1426194E+00 |GRAD(Rho)| 0.9756625E-13 GRAD(Rho)x -0.3123101E-13 GRAD(Rho)y 0.3585150E-13 GRAD(Rho)z -0.8519663E-13 Laplacian 0.6023720E+00 (-1/4)Del**2(Rho)) -0.1505930E+00 Diamond 0.1153568E+01 Metallicity 0.4453616E+01 Ellipticity 0.8681861E-02 Gb(Abramov) 0.2121759E+00 Vb(Abramov) -0.2737588E+00 Hb(Abramov) -0.6158291E-01 Ex_ueg -0.5503301E-01 Ec_ueg -0.7972737E-02 Delta_ex -0.6394386E-01 Delta_ec 0.1556328E-01 Delta_et -0.2058737E+00 Pxc 0.6902650E+01 Qxc -0.4108637E+01 3,-1 174 3 -1 1.264383 2.051939 2.307270 Rho 0.1425394E+00 |GRAD(Rho)| 0.5834321E-14 GRAD(Rho)x -0.3861942E-14 GRAD(Rho)y -0.7136693E-15 GRAD(Rho)z 0.4314555E-14 Laplacian 0.6020440E+00 (-1/4)Del**2(Rho)) -0.1505110E+00 Diamond 0.1152266E+01 Metallicity 0.4451878E+01 Ellipticity 0.8658789E-02 Gb(Abramov) 0.2120168E+00 Vb(Abramov) -0.2735226E+00 Hb(Abramov) -0.6150578E-01 Ex_ueg -0.5499186E-01 Ec_ueg -0.7967654E-02 Delta_ex -0.6390138E-01 Delta_ec 0.1555888E-01 Delta_et -0.2058025E+00 Pxc 0.6901889E+01 Qxc -0.4107067E+01 3,-1 175 3 -1 -2.272909 -2.687691 -1.078592 Rho 0.1423075E+00 |GRAD(Rho)| 0.9245777E-13 GRAD(Rho)x 0.4355294E-13 GRAD(Rho)y -0.7384299E-13 GRAD(Rho)z -0.3462362E-13 Laplacian 0.5617855E+00 (-1/4)Del**2(Rho)) -0.1404464E+00 Diamond 0.1076073E+01 Metallicity 0.4757979E+01 Ellipticity 0.3669041E-01 Gb(Abramov) 0.2050044E+00 Vb(Abramov) -0.2695624E+00 Hb(Abramov) -0.6455803E-01 Ex_ueg -0.5487261E-01 Ec_ueg -0.7952919E-02 Delta_ex -0.5963627E-01 Delta_ec 0.1458070E-01 Delta_et -0.1929368E+00 Pxc 0.6899682E+01 Qxc -0.4090082E+01 3,-1 176 3 -1 -0.660268 -2.460369 -3.698638 Rho 0.2484497E+00 |GRAD(Rho)| 0.4887484E-15 GRAD(Rho)x -0.4506215E-16 GRAD(Rho)y -0.4383971E-15 GRAD(Rho)z -0.2113110E-15 Laplacian 0.9189054E+00 (-1/4)Del**2(Rho)) -0.2297263E+00 Diamond 0.3363800E+01 Metallicity 0.7363314E+01 Ellipticity 0.1157167E-02 Gb(Abramov) 0.4350754E+00 Vb(Abramov) -0.6404245E+00 Hb(Abramov) -0.2053491E+00 Ex_ueg -0.1153550E+00 Ec_ueg -0.1502517E-01 Delta_ex -0.1119086E+00 Delta_ec 0.1986960E-01 Delta_et -0.2744889E+00 Pxc 0.7677449E+01 Qxc -0.5632153E+01 3,-1 177 3 -1 -0.069656 2.408425 2.307786 Rho 0.1428932E+00 |GRAD(Rho)| 0.8736823E-13 GRAD(Rho)x -0.8526041E-13 GRAD(Rho)y 0.1446221E-13 GRAD(Rho)z 0.1243839E-13 Laplacian 0.6040040E+00 (-1/4)Del**2(Rho)) -0.1510010E+00 Diamond 0.1159389E+01 Metallicity 0.4455802E+01 Ellipticity 0.8742058E-02 Gb(Abramov) 0.2128058E+00 Vb(Abramov) -0.2746105E+00 Hb(Abramov) -0.6180476E-01 Ex_ueg -0.5517391E-01 Ec_ueg -0.7990139E-02 Delta_ex -0.6414739E-01 Delta_ec 0.1559867E-01 Delta_et -0.2064018E+00 Pxc 0.6905250E+01 Qxc -0.4112364E+01 3,-1 178 3 -1 -3.206935 -3.141405 0.033853 Rho 0.2484325E+00 |GRAD(Rho)| 0.1641645E-13 GRAD(Rho)x -0.6151221E-14 GRAD(Rho)y -0.1125987E-13 GRAD(Rho)z -0.1024097E-13 Laplacian 0.9187127E+00 (-1/4)Del**2(Rho)) -0.2296782E+00 Diamond 0.3363015E+01 Metallicity 0.7364005E+01 Ellipticity 0.1165399E-02 Gb(Abramov) 0.4350107E+00 Vb(Abramov) -0.6403432E+00 Hb(Abramov) -0.2053325E+00 Ex_ueg -0.1153443E+00 Ec_ueg -0.1502397E-01 Delta_ex -0.1118842E+00 Delta_ec 0.1986768E-01 Delta_et -0.2744705E+00 Pxc 0.7677352E+01 Qxc -0.5631465E+01 3,-1 179 3 -1 0.683051 2.548823 3.634805 Rho 0.2484524E+00 |GRAD(Rho)| 0.3349976E-14 GRAD(Rho)x -0.4868881E-15 GRAD(Rho)y -0.2171006E-14 GRAD(Rho)z -0.2504399E-14 Laplacian 0.9185341E+00 (-1/4)Del**2(Rho)) -0.2296335E+00 Diamond 0.3362815E+01 Metallicity 0.7366422E+01 Ellipticity 0.1120066E-02 Gb(Abramov) 0.4350186E+00 Vb(Abramov) -0.6404037E+00 Hb(Abramov) -0.2053851E+00 Ex_ueg -0.1153567E+00 Ec_ueg -0.1502536E-01 Delta_ex -0.1118654E+00 Delta_ec 0.1986450E-01 Delta_et -0.2744324E+00 Pxc 0.7677464E+01 Qxc -0.5631424E+01 3,-1 180 3 -1 -2.311758 -2.235869 0.885015 Rho 0.1429061E+00 |GRAD(Rho)| 0.4449421E-13 GRAD(Rho)x -0.3153695E-13 GRAD(Rho)y 0.2040561E-13 GRAD(Rho)z 0.2384882E-13 Laplacian 0.6036621E+00 (-1/4)Del**2(Rho)) -0.1509155E+00 Diamond 0.1158744E+01 Metallicity 0.4458997E+01 Ellipticity 0.8739451E-02 Gb(Abramov) 0.2127657E+00 Vb(Abramov) -0.2746158E+00 Hb(Abramov) -0.6185015E-01 Ex_ueg -0.5518056E-01 Ec_ueg -0.7990960E-02 Delta_ex -0.6411128E-01 Delta_ec 0.1558733E-01 Delta_et -0.2062499E+00 Pxc 0.6905373E+01 Qxc -0.4113039E+01 3,-1 181 3 -1 -3.313291 1.191630 -1.079699 Rho 0.1434543E+00 |GRAD(Rho)| 0.2703960E-12 GRAD(Rho)x -0.3212574E-13 GRAD(Rho)y -0.5193809E-13 GRAD(Rho)z 0.2634091E-12 Laplacian 0.5667828E+00 (-1/4)Del**2(Rho)) -0.1416957E+00 Diamond 0.1096134E+01 Metallicity 0.4779534E+01 Ellipticity 0.3788791E-01 Gb(Abramov) 0.2073370E+00 Vb(Abramov) -0.2729784E+00 Hb(Abramov) -0.6564133E-01 Ex_ueg -0.5546295E-01 Ec_ueg -0.8025817E-02 Delta_ex -0.6028428E-01 Delta_ec 0.1468111E-01 Delta_et -0.1944977E+00 Pxc 0.6910567E+01 Qxc -0.4106247E+01 3,-1 182 3 -1 -1.092656 -1.028807 3.363086 Rho 0.1426674E+00 |GRAD(Rho)| 0.1925854E-15 GRAD(Rho)x 0.1139903E-15 GRAD(Rho)y -0.1366230E-15 GRAD(Rho)z -0.7368509E-16 Laplacian 0.5632144E+00 (-1/4)Del**2(Rho)) -0.1408036E+00 Diamond 0.1082094E+01 Metallicity 0.4765924E+01 Ellipticity 0.3684536E-01 Gb(Abramov) 0.2057123E+00 Vb(Abramov) -0.2706209E+00 Hb(Abramov) -0.6490867E-01 Ex_ueg -0.5505768E-01 Ec_ueg -0.7975784E-02 Delta_ex -0.5982483E-01 Delta_ec 0.1460893E-01 Delta_et -0.1933839E+00 Pxc 0.6903105E+01 Qxc -0.4095085E+01 3,-1 183 3 -1 2.236263 2.312099 0.883444 Rho 0.1430434E+00 |GRAD(Rho)| 0.1073801E-15 GRAD(Rho)x 0.8499467E-16 GRAD(Rho)y -0.4233132E-16 GRAD(Rho)z 0.5014435E-16 Laplacian 0.6047401E+00 (-1/4)Del**2(Rho)) -0.1511850E+00 Diamond 0.1162235E+01 Metallicity 0.4458177E+01 Ellipticity 0.8691948E-02 Gb(Abramov) 0.2131249E+00 Vb(Abramov) -0.2750649E+00 Hb(Abramov) -0.6193992E-01 Ex_ueg -0.5525124E-01 Ec_ueg -0.7999687E-02 Delta_ex -0.6424169E-01 Delta_ec 0.1561306E-01 Delta_et -0.2066232E+00 Pxc 0.6906675E+01 Qxc -0.4114612E+01 3,-1 184 3 -1 2.687664 2.273284 -1.079014 Rho 0.1431030E+00 |GRAD(Rho)| 0.2267056E-13 GRAD(Rho)x -0.7324047E-14 GRAD(Rho)y -0.1958887E-13 GRAD(Rho)z 0.8751490E-14 Laplacian 0.5654796E+00 (-1/4)Del**2(Rho)) -0.1413699E+00 Diamond 0.1090429E+01 Metallicity 0.4771018E+01 Ellipticity 0.3757188E-01 Gb(Abramov) 0.2066596E+00 Vb(Abramov) -0.2719494E+00 Hb(Abramov) -0.6528975E-01 Ex_ueg -0.5528198E-01 Ec_ueg -0.8003482E-02 Delta_ex -0.6011005E-01 Delta_ec 0.1465671E-01 Delta_et -0.1941046E+00 Pxc 0.6907241E+01 Qxc -0.4101198E+01 3,-1 185 3 -1 -1.191421 3.313023 -1.079042 Rho 0.1427418E+00 |GRAD(Rho)| 0.2277281E-12 GRAD(Rho)x 0.7833360E-13 GRAD(Rho)y 0.6878379E-13 GRAD(Rho)z 0.2024666E-12 Laplacian 0.5634452E+00 (-1/4)Del**2(Rho)) -0.1408613E+00 Diamond 0.1083173E+01 Metallicity 0.4768116E+01 Ellipticity 0.3709834E-01 Gb(Abramov) 0.2058480E+00 Vb(Abramov) -0.2708348E+00 Hb(Abramov) -0.6498674E-01 Ex_ueg -0.5509599E-01 Ec_ueg -0.7980517E-02 Delta_ex -0.5985650E-01 Delta_ec 0.1461224E-01 Delta_et -0.1934410E+00 Pxc 0.6903813E+01 Qxc -0.4096326E+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 82 156 114 62 69 182 61 151 134 135 92 93 133 161 160 159 172 139 138 77 173 127 155 185 167 163 106 152 109 153 102 141 183 154 111 184 110 70 118 74 165 79 146 108 113 180 175 147 178 126 125 157 123 149 176 115 56 145 181 166 54 170 174 177 171 88 179 162 164 158 143 142 112 132 130 97 168 68 136 105 78 169 121 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 17 18 21 22 25 26 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 19 20 23 24 27 28 2.377802 1.930934 1.931552 1.941946 1.943902 1.730422 2.376558 1.931672 1.931399 1.941574 1.944045 1.730337 2.376140 1.931495 1.931696 1.941710 1.943868 1.730380 2.376797 1.931760 1.930308 1.942667 1.943703 1.730444 2.375024 1.931036 1.930922 1.944715 1.942212 1.730455 2.376589 1.930513 1.931901 1.943590 1.942594 1.730417 2.376103 1.930686 1.930820 1.944771 1.942753 1.730465 2.376417 1.930659 1.930969 1.944912 1.942141 1.730431 2.376113 1.931919 1.931339 1.941522 1.944055 1.730399 2.376655 1.931652 1.931690 1.941624 1.943322 1.730421 2.378340 1.931977 1.930941 1.941536 1.943789 1.730408 2.376493 1.931228 1.931074 1.942409 1.943894 1.730344 1.646300 1.646063 1.646074 1.646138 3.238666 3.239692 3.239543 3.236723 3.239558 3.239959 2.378463 1.931341 1.931961 1.942562 1.944476 1.730426 2.377221 1.932033 1.931761 1.942150 1.944658 1.730341 2.376802 1.931903 1.932104 1.942285 1.944484 1.730385 2.377498 1.932119 1.930719 1.943282 1.944276 1.730449 2.375685 1.931444 1.931330 1.945328 1.942827 1.730462 2.377289 1.930873 1.932309 1.944163 1.943170 1.730423 2.376800 1.931095 1.931229 1.945349 1.943331 1.730468 2.377081 1.931068 1.931330 1.945489 1.942719 1.730434 2.376776 1.932330 1.931748 1.942140 1.944629 1.730402 2.377316 1.932014 1.932050 1.942200 1.943896 1.730424 2.379037 1.932335 1.931302 1.942152 1.944362 1.730414 2.377153 1.931635 1.931483 1.942984 1.944469 1.730348 1.646301 1.646064 1.646076 1.646141 3.246413 3.247414 3.247268 3.244408 3.247330 3.247693 27 24 27 27 23 20 27 23 23 23 28 21 27 25 24 23 27 22 32 23 26 25 23 22 27 25 25 26 25 23 31 23 25 23 23 22 30 25 28 23 23 20 27 26 23 23 23 21 27 29 25 28 23 21 27 23 23 23 23 20 31 23 23 29 23 22 27 25 25 23 23 20 24 21 26 24 35 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si 2.5103 2.5106 2.5105 2.5117 2.5108 2.5103 2.5107 2.5103 2.5105 2.5106 2.5102 2.5104 -1.1751 -1.1757 -1.1757 -1.1754 -0.9530 -0.9529 -0.9529 -0.9531 -0.9531 -0.9530 -0.9529 -0.9529 -0.9529 -0.9531 -0.9531 -0.9529 -0.9531 -0.9531 -0.9528 -0.9532 -0.9528 -0.9531 -0.9532 -0.9531 -0.9530 -0.9534 -0.9532 -0.9530 -0.7552 -0.7551 -0.7551 -0.7556 -0.7552 -0.7551 -0.7553 -0.7552 -0.7551 -0.7554 -0.7552 -0.7550 2.5103 2.0917 2.0917 2.0917 2.0915 2.0917 2.0917 2.0918 2.0918 2.0917 2.0916 2.0917 2.0917 1.8929 1.8929 1.8929 1.8929 1.9344 1.9344 1.9345 1.9344 1.9345 1.9345 1.9345 1.9344 1.9345 1.9345 1.9345 1.9345 1.9469 1.9468 1.9468 1.9469 1.9468 1.9468 1.9469 1.9468 1.9468 1.9469 1.9469 1.9468 1.9715 1.9715 1.9715 1.9716 1.9715 1.9715 1.9715 1.9715 1.9715 1.9715 1.9715 1.9715 2.2876 6.0867 6.0866 6.0866 6.0860 6.0865 6.0867 6.0865 6.0867 6.0866 6.0865 6.0867 6.0867 5.2527 5.2532 5.2532 5.2529 4.9880 4.9879 4.9879 4.9881 4.9881 4.9880 4.9880 4.9880 4.9880 4.9881 4.9882 4.9879 4.9729 4.9729 4.9726 4.9730 4.9726 4.9728 4.9729 4.9728 4.9728 4.9731 4.9729 4.9729 4.7465 4.7464 4.7464 4.7468 4.7466 4.7465 4.7466 4.7465 4.7464 4.7468 4.7465 4.7463 6.6054 3.2817 3.2815 3.2816 3.2812 3.2813 3.2816 3.2815 3.2816 3.2816 3.2816 3.2817 3.2817 0.0296 0.0296 0.0296 0.0296 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0305 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0334 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.0372 0.5967 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 14.0296 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Si 2.525305 2.525432 2.525402 2.525355 2.525536 2.525375 2.525298 2.525344 2.525385 2.525355 2.525270 2.525432 -1.073843 -1.073701 -1.073710 -1.073619 -0.943791 -0.943691 -0.943703 -0.943801 -0.943762 -0.943807 -0.943847 -0.943784 -0.943723 -0.943790 -0.943747 -0.943665 -0.922843 -0.922898 -0.922765 -0.922904 -0.922695 -0.922770 -0.922791 -0.922750 -0.922803 -0.922923 -0.922838 -0.922905 -0.781398 -0.781237 -0.781326 -0.781478 -0.781376 -0.781332 -0.781410 -0.781407 -0.781313 -0.781540 -0.781403 -0.781271 1.765869 1.942493 1.942688 1.942571 1.942507 1.942612 1.942547 1.942514 1.942523 1.942608 1.942526 1.942530 1.942634 -0.770863 -0.770688 -0.770699 -0.770560 -0.703622 -0.703566 -0.703773 -0.703893 -0.703882 -0.703744 -0.703854 -0.703735 -0.703747 -0.703843 -0.703776 -0.703590 -0.753379 -0.753432 -0.753158 -0.753442 -0.753041 -0.753184 -0.753112 -0.753194 -0.753268 -0.753260 -0.753242 -0.753291 -0.673582 -0.673380 -0.673536 -0.673736 -0.673647 -0.673556 -0.673665 -0.673627 -0.673482 -0.673782 -0.673543 -0.673440 1.339059 2.038111 2.041723 2.038303 2.041651 2.042259 2.042700 2.043072 2.042612 2.038328 2.041654 2.038114 2.041651 -0.832602 -0.821234 -0.821254 -0.809991 -0.786977 -0.782905 -0.786531 -0.782668 -0.782078 -0.782425 -0.783151 -0.782429 -0.786524 -0.782608 -0.787051 -0.782915 -0.785763 -0.786876 -0.786505 -0.787670 -0.783931 -0.786560 -0.789044 -0.786544 -0.786572 -0.787637 -0.785700 -0.786838 -0.638092 -0.639005 -0.636981 -0.638337 -0.639207 -0.638029 -0.637031 -0.638123 -0.636941 -0.638431 -0.638085 -0.639036 1.300102 0.03064261 -0.02481178 0.00101330 0.03944136 -0.01003953 -0.00283253 -0.02619697 0.01017829 0.02490232 -0.00013875 -419.7726 416.4666 -45.7514 -403.6653 -18.5051 -471.2279 Mar05-2024 19:48:34 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 0 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Mar05-2024 19:48:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar05-2024 19:48:36 Nodes: 1 Procs: 1 Mar05-2024 19:48:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar05-2024 19:48:39 Nodes: 1 Procs: 24 *** (NO TITLE) *** -4 -17.27079610 -17.29764756 -17.30651763 -17.31068577 -17.31333945 -17.31479080 -17.31514129 -17.31575221 -17.31614293 -17.31658412 -17.31684708 -17.31708829 -17.31721634 -17.31728385 -17.31730789 GEOMETRY CONVERGED