ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 15:07:22 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 1.13 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar13-2024 15:07:22 Nodes: 1 Procs: 1 Mar13-2024 15:07:23 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 15:07:24 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 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 Mar13-2024 15:07:22 Nodes: 1 Procs: 1 Mar13-2024 15:07:23 Nodes: 1 Procs: 1 0 Mar13-2024 15:07:24 Nodes: 1 Procs: 1 Mar13-2024 15:07:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 15:07:25 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.06 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 Mar13-2024 15:07:22 Nodes: 1 Procs: 1 Mar13-2024 15:07:23 Nodes: 1 Procs: 1 0 Mar13-2024 15:07:24 Nodes: 1 Procs: 1 Mar13-2024 15:07:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar13-2024 15:07:25 Nodes: 1 Procs: 1 Mar13-2024 15:07:26 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar13-2024 15:07:28 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2677.190361000006 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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 Mar13-2024 15:07:26 1 1 Tungsten TZP 4d t21.P ADF 2019 Mar13-2024 15:07:23 1 1 Phosphorus TZP 1s t21.O ADF 2019 Mar13-2024 15:07:25 1 1 Oxygen TZP 1s 1 1 -16.18872187 0.36667683 0.00100000 F 0.11122490 0.00066667 F 0.36667683 0.11122490 0.19556075 0.01000000 F 0.05805804 0.00666667 F Cartesian 2677.190361000006 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69.8472 69.8495 69.9398 70.0046 70.1626 70.2576 70.4400 70.5051 70.5256 70.6750 70.9523 71.0586 71.0880 71.2875 71.3201 71.6760 71.7653 72.4367 73.4598 73.7881 75.4097 75.7580 79.4907 79.6371 79.7482 80.1982 80.7624 81.0362 81.1432 81.3148 81.5284 81.5520 81.8766 81.9872 82.3218 82.4621 82.5393 82.5912 82.6429 82.7145 82.9046 83.3831 83.6738 83.7655 83.8169 84.1083 84.2966 84.6347 84.6365 84.8789 84.9702 85.1140 85.3921 85.6389 85.7387 85.9768 86.4806 86.8769 87.2790 87.3225 87.7371 88.2429 88.3586 88.9759 89.4860 89.5579 90.2040 91.0899 91.1850 91.7094 91.7197 93.1282 93.1296 93.4054 93.5986 95.3313 95.4906 103.7201 103.7319 103.7873 104.0799 104.7467 104.7889 105.2626 105.3432 105.7349 106.6648 107.5500 117.9995 119.9374 121.6203 121.8379 122.4276 123.1347 123.4774 123.7547 124.0260 124.2692 125.0034 125.0939 125.6448 125.7826 126.0757 126.6661 126.7247 127.5931 127.9395 128.1754 128.5321 128.5524 128.7456 129.3919 129.8094 129.9084 130.0961 130.1609 130.6800 131.4592 131.4653 131.9141 132.1202 132.2756 133.2621 133.4932 133.7449 134.5303 134.5500 135.0342 135.1374 135.5077 135.5194 135.7272 135.8054 136.1135 136.3284 136.5858 136.6653 137.2666 137.3851 137.6789 137.7220 138.1310 138.2464 138.2656 138.6476 138.8648 138.8862 139.0118 139.1178 139.1726 139.4790 139.9505 140.0296 140.3706 140.6143 140.8538 141.0346 141.3611 141.8349 142.0065 142.2225 142.7175 142.8105 143.2736 143.8803 144.3621 144.5356 144.9906 145.3073 145.3876 146.5864 146.8773 147.2042 147.9198 148.4907 148.5763 148.7040 149.5232 149.9382 150.1367 150.4861 150.8375 150.8700 151.3374 151.5284 151.9063 153.2351 153.6137 154.0434 154.8096 154.8799 155.5208 155.5607 155.7849 155.9730 156.3454 156.5328 156.8996 157.0327 158.2152 158.3964 158.6088 158.9450 160.0259 160.0600 160.3827 160.8046 161.2740 162.6354 164.7313 165.0660 166.2232 166.3400 166.7659 167.3454 168.0067 168.6549 168.7604 169.7577 169.9210 171.0403 171.5044 171.7782 172.9727 173.4199 173.5330 174.4730 174.6371 177.6659 177.6784 178.8272 180.7443 181.9186 182.6075 183.6810 184.8391 185.3303 188.5507 313.6048 322.6567 322.7000 354.7202 474.4619 474.4713 474.7422 474.7853 474.8213 474.8765 474.9154 475.1538 475.1728 475.1759 475.2539 477.2339 477.2690 477.3484 477.3576 477.4594 477.4931 477.5381 477.6191 477.8526 477.8616 477.9985 478.0463 478.0659 478.1073 478.2518 478.2634 478.3230 478.3624 478.4506 478.5529 478.5800 478.6820 479.7203 479.8550 480.2004 480.3079 480.4279 480.7154 480.7819 480.9030 480.9585 481.2330 482.0259 483.7925 484.0637 484.3900 484.7029 484.7235 484.8602 485.3630 485.4052 485.4557 485.5009 485.6593 485.8895 485.9574 486.2296 486.3278 486.3621 486.7146 486.9217 487.0198 487.2023 487.2281 487.5042 488.5131 488.6413 488.8066 488.9503 489.1077 489.1405 489.2449 489.8458 490.0944 490.1121 490.2664 923.2613 925.5673 926.0441 926.5920 927.5291 930.9704 932.8954 933.3378 934.1975 936.5382 937.6557 938.8961 939.0249 940.6327 941.7145 941.8464 942.3795 942.5543 944.9660 946.2792 946.3622 946.8511 949.6973 950.7272 953.2658 953.7381 954.7896 955.6551 957.8083 957.9479 958.8431 963.3860 969.4780 972.5209 973.4474 976.7748 982.3488 983.2968 986.5378 82900.8487 82913.1032 82916.9476 82920.9550 82929.3603 82935.0557 82937.6957 82938.5351 82943.5545 82943.6362 82948.6896 0.00000000063381 0.00049467749713 0.00035332437203 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 74 74 74 74 74 74 74 74 74 74 74 15 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 0.104405 0.002039 3.544191 0.104405 0.002039 -3.544191 -0.100217 3.603927 0.000000 2.529870 -1.855672 1.842217 2.588762 1.746892 -1.876793 -2.566915 1.841203 -1.722394 -2.512554 -2.040550 1.710471 -2.512554 -2.040550 -1.710471 -2.566915 1.841203 1.722394 2.588762 1.746892 1.876793 2.529870 -1.855672 -1.842217 -0.078557 -0.078921 0.000000 0.851830 -0.079325 1.264372 -1.021491 -1.306387 0.000000 0.851830 -0.079325 -1.264372 -0.908029 1.262316 0.000000 -3.025890 0.080486 1.613169 3.068702 -1.599495 0.000000 -3.025890 0.080486 -1.613169 3.068465 1.754031 0.000000 1.410086 -3.159705 -1.516030 1.162696 2.965210 1.306586 -1.164732 -1.287269 -2.933948 -1.148995 1.357294 2.958980 -1.148995 1.357294 -2.958980 -1.164732 -1.287269 2.933948 1.162696 2.965210 -1.306586 1.410086 -3.159705 1.516030 3.397926 0.100915 2.106058 -3.437441 -2.141155 0.000000 3.397926 0.100915 -2.106058 -3.397018 2.236435 0.000000 1.475206 1.389475 3.432591 1.540276 -1.279023 -3.466044 -1.469769 3.477280 1.338886 -1.798163 -3.642694 -1.664940 -1.798163 -3.642694 1.664940 -1.469769 3.477280 -1.338886 1.540276 -1.279023 3.466044 1.475206 1.389475 -3.432591 -0.191724 0.005386 5.262997 3.915490 -2.679209 -2.541794 -0.191724 0.005386 -5.262997 0.217231 5.321510 0.000000 3.915490 -2.679209 2.541794 3.755823 2.857865 -2.547320 -3.758300 2.525757 -2.805935 -3.871552 -2.290087 2.798168 -3.871552 -2.290087 -2.798168 -3.758300 2.525757 2.805935 3.755823 2.857865 2.547320 1 3 -3 0.104405 0.002039 3.544191 Rho 0.4361414E+07 3,-3 2 3 -3 0.104405 0.002039 -3.544191 Rho 0.4361414E+07 3,-3 3 3 -3 -0.100217 3.603927 0.000000 Rho 0.4361415E+07 3,-3 4 3 -3 2.529870 -1.855672 1.842217 Rho 0.4361415E+07 3,-3 5 3 -3 2.588762 1.746892 -1.876793 Rho 0.4361415E+07 3,-3 6 3 -3 -2.566915 1.841203 -1.722394 Rho 0.4361415E+07 3,-3 7 3 -3 -2.512554 -2.040550 1.710471 Rho 0.4361415E+07 3,-3 8 3 -3 -2.512554 -2.040550 -1.710471 Rho 0.4361415E+07 3,-3 9 3 -3 -2.566915 1.841203 1.722394 Rho 0.4361414E+07 3,-3 10 3 -3 2.588762 1.746892 1.876793 Rho 0.4361415E+07 3,-3 11 3 -3 2.529870 -1.855672 -1.842217 Rho 0.4361415E+07 3,-3 12 3 -3 -0.078557 -0.078921 0.000000 Rho 0.2439571E+04 3,-3 13 3 -3 0.851830 -0.079325 1.264372 Rho 0.3187897E+03 3,-3 14 3 -3 -1.021491 -1.306387 0.000000 Rho 0.3187758E+03 3,-3 15 3 -3 0.851830 -0.079325 -1.264372 Rho 0.3187898E+03 3,-3 16 3 -3 -0.908029 1.262316 0.000000 Rho 0.3187753E+03 3,-3 17 3 -3 -3.025890 0.080486 1.613169 Rho 0.3190053E+03 3,-3 18 3 -3 3.068702 -1.599495 0.000000 Rho 0.3188096E+03 3,-3 19 3 -3 -3.025890 0.080486 -1.613169 Rho 0.3190053E+03 3,-3 20 3 -3 3.068465 1.754031 0.000000 Rho 0.3188438E+03 3,-3 21 3 -3 1.410086 -3.159705 -1.516030 Rho 0.3193272E+03 3,-3 22 3 -3 1.162696 2.965210 1.306586 Rho 0.3188684E+03 3,-3 23 3 -3 -1.164732 -1.287269 -2.933948 Rho 0.3188311E+03 3,-3 24 3 -3 -1.148995 1.357294 2.958980 Rho 0.3188585E+03 3,-3 25 3 -3 -1.148995 1.357294 -2.958980 Rho 0.3188585E+03 3,-3 26 3 -3 -1.164732 -1.287269 2.933948 Rho 0.3188311E+03 3,-3 27 3 -3 1.162696 2.965210 -1.306586 Rho 0.3188684E+03 3,-3 28 3 -3 1.410086 -3.159705 1.516030 Rho 0.3193272E+03 3,-3 29 3 -3 3.397926 0.100915 2.106058 Rho 0.3190111E+03 3,-3 30 3 -3 -3.437441 -2.141155 0.000000 Rho 0.3188792E+03 3,-3 31 3 -3 3.397926 0.100915 -2.106058 Rho 0.3190111E+03 3,-3 32 3 -3 -3.397018 2.236435 0.000000 Rho 0.3189187E+03 3,-3 33 3 -3 1.475206 1.389475 3.432591 Rho 0.3189181E+03 3,-3 34 3 -3 1.540276 -1.279023 -3.466044 Rho 0.3189123E+03 3,-3 35 3 -3 -1.469769 3.477280 1.338886 Rho 0.3189388E+03 3,-3 36 3 -3 -1.798163 -3.642694 -1.664940 Rho 0.3192681E+03 3,-3 37 3 -3 -1.798163 -3.642694 1.664940 Rho 0.3192681E+03 3,-3 38 3 -3 -1.469769 3.477280 -1.338886 Rho 0.3189388E+03 3,-3 39 3 -3 1.540276 -1.279023 3.466044 Rho 0.3189122E+03 3,-3 40 3 -3 1.475206 1.389475 -3.432591 Rho 0.3189181E+03 3,-3 41 3 -3 -0.191724 0.005386 5.262997 Rho 0.3192875E+03 3,-3 42 3 -3 3.915490 -2.679209 -2.541794 Rho 0.3192289E+03 3,-3 43 3 -3 -0.191724 0.005386 -5.262997 Rho 0.3192875E+03 3,-3 44 3 -3 0.217231 5.321510 0.000000 Rho 0.3192670E+03 3,-3 45 3 -3 3.915490 -2.679209 2.541794 Rho 0.3192289E+03 3,-3 46 3 -3 3.755823 2.857865 -2.547320 Rho 0.3192746E+03 3,-3 47 3 -3 -3.758300 2.525757 -2.805935 Rho 0.3192584E+03 3,-3 48 3 -3 -3.871552 -2.290087 2.798168 Rho 0.3192278E+03 3,-3 49 3 -3 -3.871552 -2.290087 -2.798168 Rho 0.3192278E+03 3,-3 50 3 -3 -3.758300 2.525757 2.805935 Rho 0.3192584E+03 3,-3 51 3 -3 3.755823 2.857865 2.547320 Rho 0.3192746E+03 3,-3 52 3 +3 -0.185388 -2.269116 1.490754 Rho 0.2669744E-02 |GRAD(Rho)| 0.2623785E-14 GRAD(Rho)x -0.1078463E-14 GRAD(Rho)y 0.1075146E-14 GRAD(Rho)z 0.2136639E-14 Laplacian 0.1066829E-01 (-1/4)Del**2(Rho)) -0.2667072E-02 Diamond 0.6809179E-04 Metallicity 0.3318698E+00 Ellipticity -0.5802809E+00 Gb(Abramov) 0.1925568E-02 Vb(Abramov) -0.1184064E-02 Hb(Abramov) 0.7415039E-03 Ex_ueg -0.2735339E-03 Ec_ueg -0.4805337E-04 Delta_ex -0.3888600E-03 Delta_ec 0.1862880E-03 Delta_et -0.8989607E-03 Pxc 0.5692294E+01 Qxc -0.2087414E+01 3,+3 53 3 +3 -0.185388 -2.269116 -1.490754 Rho 0.2669744E-02 |GRAD(Rho)| 0.2622773E-14 GRAD(Rho)x -0.1078949E-14 GRAD(Rho)y 0.1075168E-14 GRAD(Rho)z -0.2135139E-14 Laplacian 0.1066829E-01 (-1/4)Del**2(Rho)) -0.2667072E-02 Diamond 0.6809179E-04 Metallicity 0.3318698E+00 Ellipticity -0.5802809E+00 Gb(Abramov) 0.1925568E-02 Vb(Abramov) -0.1184064E-02 Hb(Abramov) 0.7415039E-03 Ex_ueg -0.2735339E-03 Ec_ueg -0.4805337E-04 Delta_ex -0.3888600E-03 Delta_ec 0.1862880E-03 Delta_et -0.8989607E-03 Pxc 0.5692294E+01 Qxc -0.2087414E+01 3,+3 54 3 +1 -2.976901 -0.336746 -0.000000 Rho 0.5319219E-02 |GRAD(Rho)| 0.6441947E-14 GRAD(Rho)x -0.8762068E-15 GRAD(Rho)y -0.6322457E-14 GRAD(Rho)z -0.8703369E-15 Laplacian 0.2172005E-01 (-1/4)Del**2(Rho)) -0.5430011E-02 Diamond 0.3985022E-03 Metallicity 0.5142396E+00 Ellipticity -0.1465562E+01 Gb(Abramov) 0.4085395E-02 Vb(Abramov) -0.2740779E-02 Hb(Abramov) 0.1344616E-02 Ex_ueg -0.6857759E-03 Ec_ueg -0.1606758E-03 Delta_ex -0.9630011E-03 Delta_ec 0.4519690E-03 Delta_et -0.2593691E-02 Pxc 0.4268071E+01 Qxc -0.2130680E+01 3,+1 55 3 -1 -2.798563 0.892244 1.660891 Rho 0.1911628E+00 |GRAD(Rho)| 0.3187819E-13 GRAD(Rho)x 0.1438667E-13 GRAD(Rho)y -0.2535315E-13 GRAD(Rho)z 0.1290197E-13 Laplacian 0.7805666E+00 (-1/4)Del**2(Rho)) -0.1951417E+00 Diamond 0.2085403E+01 Metallicity 0.5600266E+01 Ellipticity 0.2228602E-01 Gb(Abramov) 0.3122353E+00 Vb(Abramov) -0.4293290E+00 Hb(Abramov) -0.1170937E+00 Ex_ueg -0.8133100E-01 Ec_ueg -0.1112881E-01 Delta_ex -0.8883352E-01 Delta_ec 0.1820146E-01 Delta_et -0.2479524E+00 Pxc 0.7308146E+01 Qxc -0.4880570E+01 3,-1 56 3 -1 -2.798563 0.892244 -1.660891 Rho 0.1911628E+00 |GRAD(Rho)| 0.8598154E-11 GRAD(Rho)x -0.2027130E-11 GRAD(Rho)y -0.8337867E-11 GRAD(Rho)z 0.5467845E-12 Laplacian 0.7805666E+00 (-1/4)Del**2(Rho)) -0.1951417E+00 Diamond 0.2085403E+01 Metallicity 0.5600266E+01 Ellipticity 0.2228602E-01 Gb(Abramov) 0.3122353E+00 Vb(Abramov) -0.4293290E+00 Hb(Abramov) -0.1170937E+00 Ex_ueg -0.8133100E-01 Ec_ueg -0.1112881E-01 Delta_ex -0.8883352E-01 Delta_ec 0.1820146E-01 Delta_et -0.2479524E+00 Pxc 0.7308146E+01 Qxc -0.4880570E+01 3,-1 57 3 +3 -1.149557 0.002411 -1.573955 Rho 0.5137241E-02 |GRAD(Rho)| 0.3172276E-12 GRAD(Rho)x -0.9759571E-13 GRAD(Rho)y 0.3011925E-12 GRAD(Rho)z -0.1978517E-13 Laplacian 0.2130332E-01 (-1/4)Del**2(Rho)) -0.5325830E-02 Diamond 0.1636523E-03 Metallicity 0.4947461E+00 Ellipticity -0.2857278E+00 Gb(Abramov) 0.3989709E-02 Vb(Abramov) -0.2653588E-02 Hb(Abramov) 0.1336121E-02 Ex_ueg -0.6546738E-03 Ec_ueg -0.1528236E-03 Delta_ex -0.7498680E-03 Delta_ec 0.1086514E-03 Delta_et -0.8214728E-03 Pxc 0.4283853E+01 Qxc -0.6901596E+01 3,+3 58 3 +3 -1.149557 0.002411 1.573955 Rho 0.5137241E-02 |GRAD(Rho)| 0.3170325E-12 GRAD(Rho)x -0.9697935E-13 GRAD(Rho)y 0.3011864E-12 GRAD(Rho)z 0.1978259E-13 Laplacian 0.2130332E-01 (-1/4)Del**2(Rho)) -0.5325830E-02 Diamond 0.1636523E-03 Metallicity 0.4947461E+00 Ellipticity -0.2857278E+00 Gb(Abramov) 0.3989709E-02 Vb(Abramov) -0.2653588E-02 Hb(Abramov) 0.1336121E-02 Ex_ueg -0.6546738E-03 Ec_ueg -0.1528236E-03 Delta_ex -0.7498680E-03 Delta_ec 0.1086514E-03 Delta_et -0.8214728E-03 Pxc 0.4283853E+01 Qxc -0.6901596E+01 3,+3 59 3 +1 -1.763808 0.020938 -2.462448 Rho 0.1178290E-01 |GRAD(Rho)| 0.6148594E-14 GRAD(Rho)x -0.2130214E-14 GRAD(Rho)y 0.5604824E-14 GRAD(Rho)z 0.1361374E-14 Laplacian 0.5765809E-01 (-1/4)Del**2(Rho)) -0.1441452E-01 Diamond 0.2264638E-02 Metallicity 0.7291886E+00 Ellipticity -0.1284950E+01 Gb(Abramov) 0.1136150E-01 Vb(Abramov) -0.8308475E-02 Hb(Abramov) 0.3053023E-02 Ex_ueg -0.1980256E-02 Ec_ueg -0.4495562E-03 Delta_ex -0.2823915E-02 Delta_ec 0.7544233E-03 Delta_et -0.5627019E-02 Pxc 0.4404913E+01 Qxc -0.3743145E+01 3,+1 60 3 +1 -0.199630 -2.544572 -1.935714 Rho 0.2937714E-02 |GRAD(Rho)| 0.2743993E-17 GRAD(Rho)x 0.1275472E-18 GRAD(Rho)y 0.2293157E-17 GRAD(Rho)z -0.1501552E-17 Laplacian 0.1160480E-01 (-1/4)Del**2(Rho)) -0.2901200E-02 Diamond 0.1170333E-03 Metallicity 0.3578146E+00 Ellipticity -0.1530526E+01 Gb(Abramov) 0.2107148E-02 Vb(Abramov) -0.1313097E-02 Hb(Abramov) 0.7940513E-03 Ex_ueg -0.3107404E-03 Ec_ueg -0.5927324E-04 Delta_ex -0.4936156E-03 Delta_ec 0.3131566E-03 Delta_et -0.1470076E-02 Pxc 0.5242508E+01 Qxc -0.1576258E+01 3,+1 61 3 +1 -0.199630 -2.544572 1.935714 Rho 0.2937714E-02 |GRAD(Rho)| 0.2937142E-17 GRAD(Rho)x -0.2398590E-17 GRAD(Rho)y 0.1548918E-17 GRAD(Rho)z 0.6887813E-18 Laplacian 0.1160480E-01 (-1/4)Del**2(Rho)) -0.2901200E-02 Diamond 0.1170333E-03 Metallicity 0.3578146E+00 Ellipticity -0.1530526E+01 Gb(Abramov) 0.2107148E-02 Vb(Abramov) -0.1313097E-02 Hb(Abramov) 0.7940513E-03 Ex_ueg -0.3107404E-03 Ec_ueg -0.5927324E-04 Delta_ex -0.4936156E-03 Delta_ec 0.3131566E-03 Delta_et -0.1470076E-02 Pxc 0.5242508E+01 Qxc -0.1576258E+01 3,+1 62 3 +1 -1.763808 0.020938 2.462448 Rho 0.1178290E-01 |GRAD(Rho)| 0.6167244E-14 GRAD(Rho)x -0.2151346E-14 GRAD(Rho)y 0.5615022E-14 GRAD(Rho)z -0.1370448E-14 Laplacian 0.5765809E-01 (-1/4)Del**2(Rho)) -0.1441452E-01 Diamond 0.2264638E-02 Metallicity 0.7291886E+00 Ellipticity -0.1284950E+01 Gb(Abramov) 0.1136150E-01 Vb(Abramov) -0.8308475E-02 Hb(Abramov) 0.3053023E-02 Ex_ueg -0.1980256E-02 Ec_ueg -0.4495562E-03 Delta_ex -0.2823915E-02 Delta_ec 0.7544233E-03 Delta_et -0.5627019E-02 Pxc 0.4404913E+01 Qxc -0.3743145E+01 3,+1 63 3 +1 -0.613876 -0.845323 1.534494 Rho 0.9396927E-02 |GRAD(Rho)| 0.2607261E-15 GRAD(Rho)x 0.3092431E-16 GRAD(Rho)y 0.2527915E-15 GRAD(Rho)z -0.5584137E-16 Laplacian 0.4024593E-01 (-1/4)Del**2(Rho)) -0.1006148E-01 Diamond 0.1304693E-02 Metallicity 0.7164748E+00 Ellipticity -0.1456525E+01 Gb(Abramov) 0.7909121E-02 Vb(Abramov) -0.5756760E-02 Hb(Abramov) 0.2152361E-02 Ex_ueg -0.1464534E-02 Ec_ueg -0.3407763E-03 Delta_ex -0.1916227E-02 Delta_ec 0.6301611E-03 Delta_et -0.4355733E-02 Pxc 0.4297640E+01 Qxc -0.3040853E+01 3,+1 64 3 -1 -1.795049 -1.629023 -2.347422 Rho 0.1290352E+00 |GRAD(Rho)| 0.5000782E-12 GRAD(Rho)x 0.3441279E-12 GRAD(Rho)y 0.1980607E-12 GRAD(Rho)z -0.3040166E-12 Laplacian 0.5386976E+00 (-1/4)Del**2(Rho)) -0.1346744E+00 Diamond 0.9224922E+00 Metallicity 0.4214850E+01 Ellipticity 0.1451012E-01 Gb(Abramov) 0.1843883E+00 Vb(Abramov) -0.2341022E+00 Hb(Abramov) -0.4971392E-01 Ex_ueg -0.4815738E-01 Ec_ueg -0.7115302E-02 Delta_ex -0.5590929E-01 Delta_ec 0.1442641E-01 Delta_et -0.1881703E+00 Pxc 0.6768143E+01 Qxc -0.3875482E+01 3,-1 65 3 -1 -1.732491 -1.631602 -0.840597 Rho 0.4721578E-01 |GRAD(Rho)| 0.4606089E-12 GRAD(Rho)x 0.2895997E-12 GRAD(Rho)y 0.1522197E-12 GRAD(Rho)z 0.3242248E-12 Laplacian 0.1877039E+00 (-1/4)Del**2(Rho)) -0.4692597E-01 Diamond 0.8961115E-01 Metallicity 0.2264393E+01 Ellipticity 0.1869879E-01 Gb(Abramov) 0.4899379E-01 Vb(Abramov) -0.5106160E-01 Hb(Abramov) -0.2067815E-02 Ex_ueg -0.1260379E-01 Ec_ueg -0.2261560E-02 Delta_ex -0.1530347E-01 Delta_ec 0.5727195E-02 Delta_et -0.5952267E-01 Pxc 0.5573052E+01 Qxc -0.2672070E+01 3,-1 66 3 +1 -0.613876 -0.845323 -1.534494 Rho 0.9396927E-02 |GRAD(Rho)| 0.1480170E-13 GRAD(Rho)x 0.1385262E-13 GRAD(Rho)y 0.2554669E-14 GRAD(Rho)z 0.4546295E-14 Laplacian 0.4024593E-01 (-1/4)Del**2(Rho)) -0.1006148E-01 Diamond 0.1304693E-02 Metallicity 0.7164748E+00 Ellipticity -0.1456525E+01 Gb(Abramov) 0.7909121E-02 Vb(Abramov) -0.5756760E-02 Hb(Abramov) 0.2152361E-02 Ex_ueg -0.1464534E-02 Ec_ueg -0.3407763E-03 Delta_ex -0.1916227E-02 Delta_ec 0.6301611E-03 Delta_et -0.4355733E-02 Pxc 0.4297640E+01 Qxc -0.3040853E+01 3,+1 67 3 +1 -2.193373 -1.728060 -0.000000 Rho 0.2840126E-01 |GRAD(Rho)| 0.4998051E-14 GRAD(Rho)x -0.3553415E-14 GRAD(Rho)y -0.3495681E-14 GRAD(Rho)z -0.3660186E-15 Laplacian 0.1191391E+00 (-1/4)Del**2(Rho)) -0.2978477E-01 Diamond 0.2045093E-01 Metallicity 0.1529167E+01 Ellipticity -0.7762895E+01 Gb(Abramov) 0.2744749E-01 Vb(Abramov) -0.2511022E-01 Hb(Abramov) 0.2337273E-02 Ex_ueg -0.6399832E-02 Ec_ueg -0.1261441E-02 Delta_ex -0.7839558E-02 Delta_ec 0.2328585E-02 Delta_et -0.2115768E-01 Pxc 0.5073429E+01 Qxc -0.3366662E+01 3,+1 68 3 -1 -1.732491 -1.631602 0.840597 Rho 0.4721578E-01 |GRAD(Rho)| 0.4183666E-15 GRAD(Rho)x -0.3202225E-15 GRAD(Rho)y 0.2511548E-15 GRAD(Rho)z -0.9700221E-16 Laplacian 0.1877039E+00 (-1/4)Del**2(Rho)) -0.4692597E-01 Diamond 0.8961115E-01 Metallicity 0.2264393E+01 Ellipticity 0.1869879E-01 Gb(Abramov) 0.4899379E-01 Vb(Abramov) -0.5106160E-01 Hb(Abramov) -0.2067815E-02 Ex_ueg -0.1260379E-01 Ec_ueg -0.2261560E-02 Delta_ex -0.1530347E-01 Delta_ec 0.5727195E-02 Delta_et -0.5952267E-01 Pxc 0.5573052E+01 Qxc -0.2672070E+01 3,-1 69 3 -1 -1.795049 -1.629023 2.347422 Rho 0.1290352E+00 |GRAD(Rho)| 0.1155829E-12 GRAD(Rho)x -0.8190681E-13 GRAD(Rho)y -0.5254461E-13 GRAD(Rho)z -0.6236781E-13 Laplacian 0.5386976E+00 (-1/4)Del**2(Rho)) -0.1346744E+00 Diamond 0.9224922E+00 Metallicity 0.4214850E+01 Ellipticity 0.1451012E-01 Gb(Abramov) 0.1843883E+00 Vb(Abramov) -0.2341022E+00 Hb(Abramov) -0.4971392E-01 Ex_ueg -0.4815738E-01 Ec_ueg -0.7115302E-02 Delta_ex -0.5590929E-01 Delta_ec 0.1442641E-01 Delta_et -0.1881703E+00 Pxc 0.6768143E+01 Qxc -0.3875482E+01 3,-1 70 3 +1 -0.244102 -2.555084 -1.170703 Rho 0.2786680E-02 |GRAD(Rho)| 0.4657712E-17 GRAD(Rho)x 0.3496277E-17 GRAD(Rho)y -0.2797121E-17 GRAD(Rho)z -0.1283136E-17 Laplacian 0.1102012E-01 (-1/4)Del**2(Rho)) -0.2755030E-02 Diamond 0.8892432E-04 Metallicity 0.3450685E+00 Ellipticity -0.1304105E+01 Gb(Abramov) 0.1995132E-02 Vb(Abramov) -0.1235235E-02 Hb(Abramov) 0.7598976E-03 Ex_ueg -0.2896239E-03 Ec_ueg -0.5294456E-04 Delta_ex -0.4345486E-03 Delta_ec 0.2445415E-03 Delta_et -0.1155553E-02 Pxc 0.5470324E+01 Qxc -0.1776994E+01 3,+1 71 3 +1 -1.726054 -0.003381 -0.747181 Rho 0.9404151E-02 |GRAD(Rho)| 0.2052730E-16 GRAD(Rho)x -0.1541985E-16 GRAD(Rho)y 0.4949764E-17 GRAD(Rho)z -0.1261341E-16 Laplacian 0.3970738E-01 (-1/4)Del**2(Rho)) -0.9926844E-02 Diamond 0.1300520E-02 Metallicity 0.7271231E+00 Ellipticity -0.1484498E+01 Gb(Abramov) 0.7820902E-02 Vb(Abramov) -0.5714960E-02 Hb(Abramov) 0.2105942E-02 Ex_ueg -0.1466036E-02 Ec_ueg -0.3411021E-03 Delta_ex -0.1895723E-02 Delta_ec 0.6302529E-03 Delta_et -0.4351206E-02 Pxc 0.4297938E+01 Qxc -0.3007877E+01 3,+1 72 3 +1 -1.726054 -0.003381 0.747181 Rho 0.9404151E-02 |GRAD(Rho)| 0.1889957E-13 GRAD(Rho)x 0.8692390E-14 GRAD(Rho)y 0.1540262E-13 GRAD(Rho)z -0.6662992E-14 Laplacian 0.3970738E-01 (-1/4)Del**2(Rho)) -0.9926844E-02 Diamond 0.1300520E-02 Metallicity 0.7271231E+00 Ellipticity -0.1484498E+01 Gb(Abramov) 0.7820902E-02 Vb(Abramov) -0.5714960E-02 Hb(Abramov) 0.2105942E-02 Ex_ueg -0.1466036E-02 Ec_ueg -0.3411021E-03 Delta_ex -0.1895723E-02 Delta_ec 0.6302529E-03 Delta_et -0.4351206E-02 Pxc 0.4297938E+01 Qxc -0.3007877E+01 3,+1 73 3 +1 0.543797 1.529506 0.844054 Rho 0.7718204E-02 |GRAD(Rho)| 0.1616419E-16 GRAD(Rho)x 0.3351363E-17 GRAD(Rho)y -0.1570973E-16 GRAD(Rho)z 0.1803839E-17 Laplacian 0.3187254E-01 (-1/4)Del**2(Rho)) -0.7968136E-02 Diamond 0.7889750E-03 Metallicity 0.6517138E+00 Ellipticity -0.1416073E+01 Gb(Abramov) 0.6177581E-02 Vb(Abramov) -0.4387027E-02 Hb(Abramov) 0.1790555E-02 Ex_ueg -0.1126523E-02 Ec_ueg -0.2657005E-03 Delta_ex -0.1444437E-02 Delta_ec 0.4976271E-03 Delta_et -0.3266479E-02 Pxc 0.4239822E+01 Qxc -0.2902650E+01 3,+1 74 3 -1 -0.563913 0.713896 -3.217092 Rho 0.1415925E+00 |GRAD(Rho)| 0.4391501E-15 GRAD(Rho)x 0.3923186E-15 GRAD(Rho)y 0.1404448E-15 GRAD(Rho)z -0.1386152E-15 Laplacian 0.5910755E+00 (-1/4)Del**2(Rho)) -0.1477689E+00 Diamond 0.1115769E+01 Metallicity 0.4484395E+01 Ellipticity 0.1017686E-01 Gb(Abramov) 0.2089549E+00 Vb(Abramov) -0.2701409E+00 Hb(Abramov) -0.6118603E-01 Ex_ueg -0.5450529E-01 Ec_ueg -0.7907503E-02 Delta_ex -0.6256561E-01 Delta_ec 0.1517579E-01 Delta_et -0.2002727E+00 Pxc 0.6892857E+01 Qxc -0.4122726E+01 3,-1 75 3 +1 -0.558846 0.794146 -1.570978 Rho 0.8638474E-02 |GRAD(Rho)| 0.1282719E-14 GRAD(Rho)x 0.1124652E-14 GRAD(Rho)y -0.5970532E-15 GRAD(Rho)z 0.1550885E-15 Laplacian 0.3585754E-01 (-1/4)Del**2(Rho)) -0.8964384E-02 Diamond 0.9908945E-03 Metallicity 0.6989205E+00 Ellipticity -0.1407055E+01 Gb(Abramov) 0.7020488E-02 Vb(Abramov) -0.5076592E-02 Hb(Abramov) 0.1943896E-02 Ex_ueg -0.1309085E-02 Ec_ueg -0.3067019E-03 Delta_ex -0.1651362E-02 Delta_ec 0.5249222E-03 Delta_et -0.3575431E-02 Pxc 0.4268264E+01 Qxc -0.3145917E+01 3,+1 76 3 +1 -0.558846 0.794146 1.570978 Rho 0.8638474E-02 |GRAD(Rho)| 0.7643880E-17 GRAD(Rho)x -0.2935341E-17 GRAD(Rho)y 0.4404367E-17 GRAD(Rho)z -0.5514910E-17 Laplacian 0.3585754E-01 (-1/4)Del**2(Rho)) -0.8964384E-02 Diamond 0.9908945E-03 Metallicity 0.6989205E+00 Ellipticity -0.1407055E+01 Gb(Abramov) 0.7020488E-02 Vb(Abramov) -0.5076592E-02 Hb(Abramov) 0.1943896E-02 Ex_ueg -0.1309085E-02 Ec_ueg -0.3067019E-03 Delta_ex -0.1651362E-02 Delta_ec 0.5249222E-03 Delta_et -0.3575431E-02 Pxc 0.4268264E+01 Qxc -0.3145917E+01 3,+1 77 3 -1 -0.563913 0.713896 3.217092 Rho 0.1415925E+00 |GRAD(Rho)| 0.5400845E-15 GRAD(Rho)x -0.1395368E-15 GRAD(Rho)y 0.5184655E-15 GRAD(Rho)z -0.5843172E-16 Laplacian 0.5910755E+00 (-1/4)Del**2(Rho)) -0.1477689E+00 Diamond 0.1115769E+01 Metallicity 0.4484395E+01 Ellipticity 0.1017686E-01 Gb(Abramov) 0.2089549E+00 Vb(Abramov) -0.2701409E+00 Hb(Abramov) -0.6118603E-01 Ex_ueg -0.5450529E-01 Ec_ueg -0.7907503E-02 Delta_ex -0.6256561E-01 Delta_ec 0.1517579E-01 Delta_et -0.2002727E+00 Pxc 0.6892857E+01 Qxc -0.4122726E+01 3,-1 78 3 +1 0.543797 1.529506 -0.844054 Rho 0.7718204E-02 |GRAD(Rho)| 0.1190803E-16 GRAD(Rho)x 0.8741870E-17 GRAD(Rho)y -0.3642288E-17 GRAD(Rho)z -0.7219043E-17 Laplacian 0.3187254E-01 (-1/4)Del**2(Rho)) -0.7968136E-02 Diamond 0.7889750E-03 Metallicity 0.6517138E+00 Ellipticity -0.1416073E+01 Gb(Abramov) 0.6177581E-02 Vb(Abramov) -0.4387027E-02 Hb(Abramov) 0.1790555E-02 Ex_ueg -0.1126523E-02 Ec_ueg -0.2657005E-03 Delta_ex -0.1444437E-02 Delta_ec 0.4976271E-03 Delta_et -0.3266479E-02 Pxc 0.4239822E+01 Qxc -0.2902650E+01 3,+1 79 3 -1 -0.413408 0.462787 0.000000 Rho 0.1943138E+00 |GRAD(Rho)| 0.9764158E-12 GRAD(Rho)x 0.5039360E-12 GRAD(Rho)y -0.8353896E-12 GRAD(Rho)z -0.3950278E-13 Laplacian 0.6351067E+00 (-1/4)Del**2(Rho)) -0.1587767E+00 Diamond 0.1943314E+01 Metallicity 0.7073034E+01 Ellipticity 0.4351717E-02 Gb(Abramov) 0.2930232E+00 Vb(Abramov) -0.4272698E+00 Hb(Abramov) -0.1342466E+00 Ex_ueg -0.8312337E-01 Ec_ueg -0.1133840E-01 Delta_ex -0.7408260E-01 Delta_ec 0.1742470E-01 Delta_et -0.2467698E+00 Pxc 0.7331140E+01 Qxc -0.4251586E+01 3,-1 80 3 +1 2.109953 -0.214294 -1.666358 Rho 0.2131540E-01 |GRAD(Rho)| 0.1257838E-16 GRAD(Rho)x -0.5836185E-17 GRAD(Rho)y -0.1107917E-16 GRAD(Rho)z -0.1185903E-17 Laplacian 0.8155780E-01 (-1/4)Del**2(Rho)) -0.2038945E-01 Diamond 0.8688377E-02 Metallicity 0.1384533E+01 Ellipticity -0.3339192E+01 Gb(Abramov) 0.1829795E-01 Vb(Abramov) -0.1620644E-01 Hb(Abramov) 0.2091505E-02 Ex_ueg -0.4364920E-02 Ec_ueg -0.9050521E-03 Delta_ex -0.4878513E-02 Delta_ec 0.1413331E-02 Delta_et -0.1198311E-01 Pxc 0.4822838E+01 Qxc -0.3451785E+01 3,+1 81 3 +1 2.109953 -0.214294 1.666358 Rho 0.2131540E-01 |GRAD(Rho)| 0.6287312E-16 GRAD(Rho)x -0.5779993E-16 GRAD(Rho)y 0.1723441E-16 GRAD(Rho)z -0.1775309E-16 Laplacian 0.8155780E-01 (-1/4)Del**2(Rho)) -0.2038945E-01 Diamond 0.8688377E-02 Metallicity 0.1384533E+01 Ellipticity -0.3339192E+01 Gb(Abramov) 0.1829795E-01 Vb(Abramov) -0.1620644E-01 Hb(Abramov) 0.2091505E-02 Ex_ueg -0.4364920E-02 Ec_ueg -0.9050521E-03 Delta_ex -0.4878513E-02 Delta_ec 0.1413331E-02 Delta_et -0.1198311E-01 Pxc 0.4822838E+01 Qxc -0.3451785E+01 3,+1 82 3 -1 -0.829821 3.517107 -0.709240 Rho 0.1517329E+00 |GRAD(Rho)| 0.3593031E-12 GRAD(Rho)x 0.2174992E-12 GRAD(Rho)y -0.2738717E-12 GRAD(Rho)z 0.8238397E-13 Laplacian 0.5997136E+00 (-1/4)Del**2(Rho)) -0.1499284E+00 Diamond 0.1232613E+01 Metallicity 0.4959855E+01 Ellipticity 0.3804661E-01 Gb(Abramov) 0.2238894E+00 Vb(Abramov) -0.2978505E+00 Hb(Abramov) -0.7396105E-01 Ex_ueg -0.5977113E-01 Ec_ueg -0.8554538E-02 Delta_ex -0.6458986E-01 Delta_ec 0.1517988E-01 Delta_et -0.2024119E+00 Pxc 0.6987067E+01 Qxc -0.4254964E+01 3,-1 83 3 -1 0.572775 3.249315 0.687159 Rho 0.1453970E+00 |GRAD(Rho)| 0.1116095E-13 GRAD(Rho)x -0.7135338E-14 GRAD(Rho)y 0.4861163E-14 GRAD(Rho)z -0.7072684E-14 Laplacian 0.6076610E+00 (-1/4)Del**2(Rho)) -0.1519153E+00 Diamond 0.1187990E+01 Metallicity 0.4559084E+01 Ellipticity 0.1361577E-01 Gb(Abramov) 0.2167092E+00 Vb(Abramov) -0.2815032E+00 Hb(Abramov) -0.6479397E-01 Ex_ueg -0.5646669E-01 Ec_ueg -0.8149510E-02 Delta_ex -0.6477886E-01 Delta_ec 0.1557065E-01 Delta_et -0.2064363E+00 Pxc 0.6928845E+01 Qxc -0.4160318E+01 3,-1 84 3 -1 0.572775 3.249315 -0.687159 Rho 0.1453970E+00 |GRAD(Rho)| 0.1176753E-13 GRAD(Rho)x -0.7615978E-14 GRAD(Rho)y 0.5184682E-14 GRAD(Rho)z 0.7320574E-14 Laplacian 0.6076610E+00 (-1/4)Del**2(Rho)) -0.1519153E+00 Diamond 0.1187990E+01 Metallicity 0.4559084E+01 Ellipticity 0.1361577E-01 Gb(Abramov) 0.2167092E+00 Vb(Abramov) -0.2815032E+00 Hb(Abramov) -0.6479397E-01 Ex_ueg -0.5646669E-01 Ec_ueg -0.8149510E-02 Delta_ex -0.6477886E-01 Delta_ec 0.1557065E-01 Delta_et -0.2064363E+00 Pxc 0.6928845E+01 Qxc -0.4160318E+01 3,-1 85 3 -1 -0.829821 3.517107 0.709240 Rho 0.1517329E+00 |GRAD(Rho)| 0.3587029E-12 GRAD(Rho)x 0.2166927E-12 GRAD(Rho)y -0.2739683E-12 GRAD(Rho)z -0.8156865E-13 Laplacian 0.5997136E+00 (-1/4)Del**2(Rho)) -0.1499284E+00 Diamond 0.1232613E+01 Metallicity 0.4959855E+01 Ellipticity 0.3804661E-01 Gb(Abramov) 0.2238894E+00 Vb(Abramov) -0.2978505E+00 Hb(Abramov) -0.7396105E-01 Ex_ueg -0.5977113E-01 Ec_ueg -0.8554538E-02 Delta_ex -0.6458986E-01 Delta_ec 0.1517988E-01 Delta_et -0.2024119E+00 Pxc 0.6987067E+01 Qxc -0.4254964E+01 3,-1 86 3 -1 0.869420 -0.675993 -3.481624 Rho 0.1484862E+00 |GRAD(Rho)| 0.4529816E-12 GRAD(Rho)x 0.3641114E-12 GRAD(Rho)y -0.2691701E-12 GRAD(Rho)z 0.1275300E-13 Laplacian 0.5954529E+00 (-1/4)Del**2(Rho)) -0.1488632E+00 Diamond 0.1187577E+01 Metallicity 0.4818473E+01 Ellipticity 0.5916282E-01 Gb(Abramov) 0.2187911E+00 Vb(Abramov) -0.2887189E+00 Hb(Abramov) -0.6992782E-01 Ex_ueg -0.5807198E-01 Ec_ueg -0.8346682E-02 Delta_ex -0.6374149E-01 Delta_ec 0.1506501E-01 Delta_et -0.2000762E+00 Pxc 0.6957493E+01 Qxc -0.4231096E+01 3,-1 87 3 +1 -0.244102 -2.555084 1.170703 Rho 0.2786680E-02 |GRAD(Rho)| 0.3298671E-15 GRAD(Rho)x -0.1276755E-15 GRAD(Rho)y 0.1778048E-15 GRAD(Rho)z 0.2467726E-15 Laplacian 0.1102012E-01 (-1/4)Del**2(Rho)) -0.2755030E-02 Diamond 0.8892432E-04 Metallicity 0.3450685E+00 Ellipticity -0.1304105E+01 Gb(Abramov) 0.1995132E-02 Vb(Abramov) -0.1235235E-02 Hb(Abramov) 0.7598976E-03 Ex_ueg -0.2896239E-03 Ec_ueg -0.5294456E-04 Delta_ex -0.4345486E-03 Delta_ec 0.2445415E-03 Delta_et -0.1155553E-02 Pxc 0.5470324E+01 Qxc -0.1776994E+01 3,+1 88 3 -1 0.869420 -0.675993 3.481624 Rho 0.1484862E+00 |GRAD(Rho)| 0.1473522E-11 GRAD(Rho)x 0.1128482E-11 GRAD(Rho)y -0.9443160E-12 GRAD(Rho)z -0.7784852E-13 Laplacian 0.5954529E+00 (-1/4)Del**2(Rho)) -0.1488632E+00 Diamond 0.1187577E+01 Metallicity 0.4818473E+01 Ellipticity 0.5916282E-01 Gb(Abramov) 0.2187911E+00 Vb(Abramov) -0.2887189E+00 Hb(Abramov) -0.6992782E-01 Ex_ueg -0.5807198E-01 Ec_ueg -0.8346682E-02 Delta_ex -0.6374149E-01 Delta_ec 0.1506501E-01 Delta_et -0.2000762E+00 Pxc 0.6957493E+01 Qxc -0.4231096E+01 3,-1 89 3 -1 0.464092 -0.038331 -2.354357 Rho 0.4638865E-01 |GRAD(Rho)| 0.7006288E-14 GRAD(Rho)x -0.1843984E-14 GRAD(Rho)y 0.2945719E-15 GRAD(Rho)z -0.6752853E-14 Laplacian 0.1839796E+00 (-1/4)Del**2(Rho)) -0.4599491E-01 Diamond 0.8396809E-01 Metallicity 0.2243174E+01 Ellipticity 0.1169444E-01 Gb(Abramov) 0.4785904E-01 Vb(Abramov) -0.4972317E-01 Hb(Abramov) -0.1864130E-02 Ex_ueg -0.1231027E-01 Ec_ueg -0.2216246E-02 Delta_ex -0.1484906E-01 Delta_ec 0.5462842E-02 Delta_et -0.5647659E-01 Pxc 0.5554557E+01 Qxc -0.2718193E+01 3,-1 90 3 -1 0.833563 0.734359 -3.464301 Rho 0.1386195E+00 |GRAD(Rho)| 0.1570565E-12 GRAD(Rho)x -0.1509235E-12 GRAD(Rho)y 0.2926443E-13 GRAD(Rho)z 0.3213129E-13 Laplacian 0.5508406E+00 (-1/4)Del**2(Rho)) -0.1377102E+00 Diamond 0.1016114E+01 Metallicity 0.4644736E+01 Ellipticity 0.3551282E-01 Gb(Abramov) 0.1984113E+00 Vb(Abramov) -0.2591125E+00 Hb(Abramov) -0.6070117E-01 Ex_ueg -0.5298474E-01 Ec_ueg -0.7719027E-02 Delta_ex -0.5803330E-01 Delta_ec 0.1426491E-01 Delta_et -0.1877542E+00 Pxc 0.6864174E+01 Qxc -0.4068255E+01 3,-1 91 3 +1 1.324808 0.749944 -2.180823 Rho 0.2254593E-01 |GRAD(Rho)| 0.3312579E-13 GRAD(Rho)x 0.1043134E-13 GRAD(Rho)y -0.3094909E-14 GRAD(Rho)z 0.3128780E-13 Laplacian 0.8443725E-01 (-1/4)Del**2(Rho)) -0.2110931E-01 Diamond 0.9132204E-02 Metallicity 0.1468451E+01 Ellipticity -0.3017948E+01 Gb(Abramov) 0.1923921E-01 Vb(Abramov) -0.1736910E-01 Hb(Abramov) 0.1870107E-02 Ex_ueg -0.4704093E-02 Ec_ueg -0.9659673E-03 Delta_ex -0.5053277E-02 Delta_ec 0.1333205E-02 Delta_et -0.1150244E-01 Pxc 0.4869826E+01 Qxc -0.3790323E+01 3,+1 92 3 +1 1.697551 0.772998 0.000000 Rho 0.6580510E-02 |GRAD(Rho)| 0.1351458E-16 GRAD(Rho)x 0.2261289E-17 GRAD(Rho)y 0.9056511E-18 GRAD(Rho)z -0.1329324E-16 Laplacian 0.2626230E-01 (-1/4)Del**2(Rho)) -0.6565574E-02 Diamond 0.5325401E-03 Metallicity 0.6063355E+00 Ellipticity -0.1408708E+01 Gb(Abramov) 0.5040539E-02 Vb(Abramov) -0.3515505E-02 Hb(Abramov) 0.1525035E-02 Ex_ueg -0.9107470E-03 Ec_ueg -0.2155500E-03 Delta_ex -0.1150571E-02 Delta_ec 0.4203678E-03 Delta_et -0.2636415E-02 Pxc 0.4225223E+01 Qxc -0.2737058E+01 3,+1 93 3 +1 1.324808 0.749944 2.180823 Rho 0.2254593E-01 |GRAD(Rho)| 0.3318627E-13 GRAD(Rho)x 0.1042900E-13 GRAD(Rho)y -0.3148127E-14 GRAD(Rho)z -0.3134731E-13 Laplacian 0.8443725E-01 (-1/4)Del**2(Rho)) -0.2110931E-01 Diamond 0.9132204E-02 Metallicity 0.1468451E+01 Ellipticity -0.3017948E+01 Gb(Abramov) 0.1923921E-01 Vb(Abramov) -0.1736910E-01 Hb(Abramov) 0.1870107E-02 Ex_ueg -0.4704093E-02 Ec_ueg -0.9659673E-03 Delta_ex -0.5053277E-02 Delta_ec 0.1333205E-02 Delta_et -0.1150244E-01 Pxc 0.4869826E+01 Qxc -0.3790323E+01 3,+1 94 3 -1 0.833563 0.734359 3.464301 Rho 0.1386195E+00 |GRAD(Rho)| 0.4288489E-12 GRAD(Rho)x -0.3838770E-12 GRAD(Rho)y -0.1884483E-12 GRAD(Rho)z 0.3220354E-13 Laplacian 0.5508406E+00 (-1/4)Del**2(Rho)) -0.1377102E+00 Diamond 0.1016114E+01 Metallicity 0.4644736E+01 Ellipticity 0.3551282E-01 Gb(Abramov) 0.1984113E+00 Vb(Abramov) -0.2591125E+00 Hb(Abramov) -0.6070117E-01 Ex_ueg -0.5298474E-01 Ec_ueg -0.7719027E-02 Delta_ex -0.5803330E-01 Delta_ec 0.1426491E-01 Delta_et -0.1877542E+00 Pxc 0.6864174E+01 Qxc -0.4068255E+01 3,-1 95 3 +3 1.127717 1.496189 0.000000 Rho 0.4254403E-02 |GRAD(Rho)| 0.3314199E-17 GRAD(Rho)x 0.5046082E-18 GRAD(Rho)y 0.2926809E-17 GRAD(Rho)z 0.1470741E-17 Laplacian 0.1729793E-01 (-1/4)Del**2(Rho)) -0.4324481E-02 Diamond 0.1097700E-03 Metallicity 0.4449899E+00 Ellipticity -0.7194033E-01 Gb(Abramov) 0.3203713E-02 Vb(Abramov) -0.2082944E-02 Hb(Abramov) 0.1120769E-02 Ex_ueg -0.5091392E-03 Ec_ueg -0.1149692E-03 Delta_ex -0.5864394E-03 Delta_ec 0.1027459E-03 Delta_et -0.7128318E-03 Pxc 0.4428484E+01 Qxc -0.5707669E+01 3,+3 96 3 -1 1.923376 -2.559027 -1.666591 Rho 0.2362240E+00 |GRAD(Rho)| 0.6008935E-15 GRAD(Rho)x -0.1542278E-15 GRAD(Rho)y -0.5773377E-15 GRAD(Rho)z 0.6299215E-16 Laplacian 0.9068005E+00 (-1/4)Del**2(Rho)) -0.2267001E+00 Diamond 0.3112855E+01 Metallicity 0.6859749E+01 Ellipticity 0.1511373E-01 Gb(Abramov) 0.4103177E+00 Vb(Abramov) -0.5939353E+00 Hb(Abramov) -0.1836176E+00 Ex_ueg -0.1078493E+00 Ec_ueg -0.1417848E-01 Delta_ex -0.1089248E+00 Delta_ec 0.1979981E-01 Delta_et -0.2726929E+00 Pxc 0.7606545E+01 Qxc -0.5501303E+01 3,-1 97 3 +1 1.706079 -2.839815 0.000000 Rho 0.7131961E-02 |GRAD(Rho)| 0.9182777E-17 GRAD(Rho)x 0.4442477E-19 GRAD(Rho)y 0.3115404E-17 GRAD(Rho)z 0.8638037E-17 Laplacian 0.3188772E-01 (-1/4)Del**2(Rho)) -0.7971930E-02 Diamond 0.1068170E-02 Metallicity 0.5710463E+00 Ellipticity -0.2033664E+01 Gb(Abramov) 0.6073344E-02 Vb(Abramov) -0.4174757E-02 Hb(Abramov) 0.1898587E-02 Ex_ueg -0.1013904E-02 Ec_ueg -0.2397828E-03 Delta_ex -0.1625125E-02 Delta_ec 0.8686706E-03 Delta_et -0.5298196E-02 Pxc 0.4228428E+01 Qxc -0.1870818E+01 3,+1 98 3 -1 1.923376 -2.559027 1.666591 Rho 0.2362240E+00 |GRAD(Rho)| 0.5503273E-15 GRAD(Rho)x 0.3026550E-15 GRAD(Rho)y 0.4458239E-15 GRAD(Rho)z 0.1118083E-15 Laplacian 0.9068005E+00 (-1/4)Del**2(Rho)) -0.2267001E+00 Diamond 0.3112855E+01 Metallicity 0.6859749E+01 Ellipticity 0.1511373E-01 Gb(Abramov) 0.4103177E+00 Vb(Abramov) -0.5939353E+00 Hb(Abramov) -0.1836176E+00 Ex_ueg -0.1078493E+00 Ec_ueg -0.1417848E-01 Delta_ex -0.1089248E+00 Delta_ec 0.1979981E-01 Delta_et -0.2726929E+00 Pxc 0.7606545E+01 Qxc -0.5501303E+01 3,-1 99 3 +1 -0.091217 2.181180 -2.016495 Rho 0.5435452E-02 |GRAD(Rho)| 0.6977464E-13 GRAD(Rho)x 0.9364099E-14 GRAD(Rho)y 0.4222691E-13 GRAD(Rho)z 0.5475127E-13 Laplacian 0.2238485E-01 (-1/4)Del**2(Rho)) -0.5596212E-02 Diamond 0.6146620E-03 Metallicity 0.5172714E+00 Ellipticity -0.5490779E+01 Gb(Abramov) 0.4213268E-02 Vb(Abramov) -0.2830324E-02 Hb(Abramov) 0.1382944E-02 Ex_ueg -0.7058287E-03 Ec_ueg -0.1656999E-03 Delta_ex -0.1156575E-02 Delta_ec 0.7502882E-03 Delta_et -0.4159907E-02 Pxc 0.4259679E+01 Qxc -0.1541507E+01 3,+1 100 3 -1 1.998381 -1.534960 -2.690443 Rho 0.1277652E+00 |GRAD(Rho)| 0.4937217E-15 GRAD(Rho)x -0.2513316E-15 GRAD(Rho)y 0.1494031E-15 GRAD(Rho)z -0.3978344E-15 Laplacian 0.4959865E+00 (-1/4)Del**2(Rho)) -0.1239966E+00 Diamond 0.8399676E+00 Metallicity 0.4502955E+01 Ellipticity 0.2219009E-01 Gb(Abramov) 0.1757230E+00 Vb(Abramov) -0.2274493E+00 Hb(Abramov) -0.5172634E-01 Ex_ueg -0.4752643E-01 Ec_ueg -0.7035754E-02 Delta_ex -0.5136259E-01 Delta_ec 0.1332802E-01 Delta_et -0.1735809E+00 Pxc 0.6754987E+01 Qxc -0.3853729E+01 3,-1 101 3 -1 1.998381 -1.534960 2.690443 Rho 0.1277652E+00 |GRAD(Rho)| 0.9329932E-14 GRAD(Rho)x 0.6041324E-14 GRAD(Rho)y 0.6536845E-14 GRAD(Rho)z -0.2796374E-14 Laplacian 0.4959865E+00 (-1/4)Del**2(Rho)) -0.1239966E+00 Diamond 0.8399676E+00 Metallicity 0.4502955E+01 Ellipticity 0.2219009E-01 Gb(Abramov) 0.1757230E+00 Vb(Abramov) -0.2274493E+00 Hb(Abramov) -0.5172634E-01 Ex_ueg -0.4752643E-01 Ec_ueg -0.7035754E-02 Delta_ex -0.5136259E-01 Delta_ec 0.1332802E-01 Delta_et -0.1735809E+00 Pxc 0.6754987E+01 Qxc -0.3853729E+01 3,-1 102 3 -1 1.659082 -0.951655 -1.524868 Rho 0.3578138E-01 |GRAD(Rho)| 0.1060773E-12 GRAD(Rho)x 0.7041504E-13 GRAD(Rho)y -0.7454578E-13 GRAD(Rho)z -0.2714867E-13 Laplacian 0.1362954E+00 (-1/4)Del**2(Rho)) -0.3407385E-01 Diamond 0.4358833E-01 Metallicity 0.1964387E+01 Ellipticity 0.3725068E-01 Gb(Abramov) 0.3387161E-01 Vb(Abramov) -0.3366936E-01 Hb(Abramov) 0.2022441E-03 Ex_ueg -0.8708189E-02 Ec_ueg -0.1645495E-02 Delta_ex -0.1030616E-01 Delta_ec 0.4040126E-02 Delta_et -0.3895398E-01 Pxc 0.5292139E+01 Qxc -0.2550950E+01 3,-1 103 3 +1 1.677465 -0.790155 -0.000000 Rho 0.8252326E-02 |GRAD(Rho)| 0.5312584E-17 GRAD(Rho)x -0.4969594E-17 GRAD(Rho)y 0.1380744E-17 GRAD(Rho)z -0.1272882E-17 Laplacian 0.3502159E-01 (-1/4)Del**2(Rho)) -0.8755396E-02 Diamond 0.9424807E-03 Metallicity 0.6630882E+00 Ellipticity -0.1404603E+01 Gb(Abramov) 0.6804531E-02 Vb(Abramov) -0.4853665E-02 Hb(Abramov) 0.1950865E-02 Ex_ueg -0.1231649E-02 Ec_ueg -0.2894512E-03 Delta_ex -0.1610225E-02 Delta_ec 0.5408342E-03 Delta_et -0.3618011E-02 Pxc 0.4255118E+01 Qxc -0.2977298E+01 3,+1 104 3 -1 1.659082 -0.951655 1.524868 Rho 0.3578138E-01 |GRAD(Rho)| 0.1061750E-12 GRAD(Rho)x 0.7048287E-13 GRAD(Rho)y -0.7461321E-13 GRAD(Rho)z 0.2716901E-13 Laplacian 0.1362954E+00 (-1/4)Del**2(Rho)) -0.3407385E-01 Diamond 0.4358833E-01 Metallicity 0.1964387E+01 Ellipticity 0.3725068E-01 Gb(Abramov) 0.3387161E-01 Vb(Abramov) -0.3366936E-01 Hb(Abramov) 0.2022441E-03 Ex_ueg -0.8708189E-02 Ec_ueg -0.1645495E-02 Delta_ex -0.1030616E-01 Delta_ec 0.4040126E-02 Delta_et -0.3895398E-01 Pxc 0.5292139E+01 Qxc -0.2550950E+01 3,-1 105 3 -1 3.278225 -2.300849 -2.220499 Rho 0.2316794E+00 |GRAD(Rho)| 0.1887614E-12 GRAD(Rho)x -0.1500835E-12 GRAD(Rho)y 0.9237901E-13 GRAD(Rho)z 0.6761600E-13 Laplacian 0.8426856E+00 (-1/4)Del**2(Rho)) -0.2106714E+00 Diamond 0.2865534E+01 Metallicity 0.7146498E+01 Ellipticity 0.1728959E-01 Gb(Abramov) 0.3913747E+00 Vb(Abramov) -0.5720781E+00 Hb(Abramov) -0.1807033E+00 Ex_ueg -0.1050917E+00 Ec_ueg -0.1386583E-01 Delta_ex -0.1009322E+00 Delta_ec 0.1890043E-01 Delta_et -0.2618290E+00 Pxc 0.7579183E+01 Qxc -0.5340208E+01 3,-1 106 3 -1 3.278225 -2.300849 2.220499 Rho 0.2316794E+00 |GRAD(Rho)| 0.1958314E-15 GRAD(Rho)x 0.8565197E-16 GRAD(Rho)y 0.1072276E-15 GRAD(Rho)z 0.1396994E-15 Laplacian 0.8426856E+00 (-1/4)Del**2(Rho)) -0.2106714E+00 Diamond 0.2865534E+01 Metallicity 0.7146498E+01 Ellipticity 0.1728959E-01 Gb(Abramov) 0.3913747E+00 Vb(Abramov) -0.5720781E+00 Hb(Abramov) -0.1807033E+00 Ex_ueg -0.1050917E+00 Ec_ueg -0.1386583E-01 Delta_ex -0.1009322E+00 Delta_ec 0.1890043E-01 Delta_et -0.2618290E+00 Pxc 0.7579183E+01 Qxc -0.5340208E+01 3,-1 107 3 +1 3.009499 0.073465 -0.000000 Rho 0.4670557E-02 |GRAD(Rho)| 0.1750420E-15 GRAD(Rho)x 0.1683019E-16 GRAD(Rho)y 0.1577411E-15 GRAD(Rho)z -0.7398766E-16 Laplacian 0.1887996E-01 (-1/4)Del**2(Rho)) -0.4719991E-02 Diamond 0.4452703E-03 Metallicity 0.4763138E+00 Ellipticity -0.7213547E+01 Gb(Abramov) 0.3521360E-02 Vb(Abramov) -0.2322729E-02 Hb(Abramov) 0.1198631E-02 Ex_ueg -0.5766026E-03 Ec_ueg -0.1327632E-03 Delta_ex -0.9707576E-03 Delta_ec 0.6735452E-03 Delta_et -0.3551577E-02 Pxc 0.4343091E+01 Qxc -0.1441266E+01 3,+1 108 3 -1 -2.768456 -0.922818 -1.654686 Rho 0.7642426E-01 |GRAD(Rho)| 0.2531850E-14 GRAD(Rho)x 0.4003976E-15 GRAD(Rho)y -0.2499482E-14 GRAD(Rho)z -0.5032551E-16 Laplacian 0.3209417E+00 (-1/4)Del**2(Rho)) -0.8023542E-01 Diamond 0.2886227E+00 Metallicity 0.2955102E+01 Ellipticity 0.5178932E-02 Gb(Abramov) 0.9300759E-01 Vb(Abramov) -0.1057797E+00 Hb(Abramov) -0.1277216E-01 Ex_ueg -0.2395301E-01 Ec_ueg -0.3920659E-02 Delta_ex -0.2941858E-01 Delta_ec 0.9486157E-02 Delta_et -0.1112600E+00 Pxc 0.6109434E+01 Qxc -0.3101212E+01 3,-1 109 3 -1 0.464092 -0.038331 2.354357 Rho 0.4638865E-01 |GRAD(Rho)| 0.1994316E-15 GRAD(Rho)x -0.1076179E-15 GRAD(Rho)y 0.1134753E-16 GRAD(Rho)z 0.1675190E-15 Laplacian 0.1839796E+00 (-1/4)Del**2(Rho)) -0.4599491E-01 Diamond 0.8396808E-01 Metallicity 0.2243174E+01 Ellipticity 0.1169444E-01 Gb(Abramov) 0.4785904E-01 Vb(Abramov) -0.4972317E-01 Hb(Abramov) -0.1864130E-02 Ex_ueg -0.1231027E-01 Ec_ueg -0.2216246E-02 Delta_ex -0.1484906E-01 Delta_ec 0.5462842E-02 Delta_et -0.5647658E-01 Pxc 0.5554557E+01 Qxc -0.2718193E+01 3,-1 110 3 -1 -2.768456 -0.922818 1.654686 Rho 0.7642426E-01 |GRAD(Rho)| 0.2722845E-14 GRAD(Rho)x 0.3650788E-15 GRAD(Rho)y -0.2697397E-14 GRAD(Rho)z 0.6822025E-16 Laplacian 0.3209417E+00 (-1/4)Del**2(Rho)) -0.8023542E-01 Diamond 0.2886227E+00 Metallicity 0.2955102E+01 Ellipticity 0.5178932E-02 Gb(Abramov) 0.9300759E-01 Vb(Abramov) -0.1057797E+00 Hb(Abramov) -0.1277216E-01 Ex_ueg -0.2395301E-01 Ec_ueg -0.3920659E-02 Delta_ex -0.2941858E-01 Delta_ec 0.9486157E-02 Delta_et -0.1112600E+00 Pxc 0.6109434E+01 Qxc -0.3101212E+01 3,-1 111 3 -1 -2.990360 2.045010 -0.799581 Rho 0.1392450E+00 |GRAD(Rho)| 0.3396122E-13 GRAD(Rho)x 0.2073966E-13 GRAD(Rho)y 0.2311562E-13 GRAD(Rho)z -0.1374405E-13 Laplacian 0.5500050E+00 (-1/4)Del**2(Rho)) -0.1375013E+00 Diamond 0.1023430E+01 Metallicity 0.4686829E+01 Ellipticity 0.3493641E-01 Gb(Abramov) 0.1990750E+00 Vb(Abramov) -0.2606487E+00 Hb(Abramov) -0.6157372E-01 Ex_ueg -0.5330375E-01 Ec_ueg -0.7758633E-02 Delta_ex -0.5804566E-01 Delta_ec 0.1429360E-01 Delta_et -0.1883968E+00 Pxc 0.6870250E+01 Qxc -0.4060954E+01 3,-1 112 3 -1 -1.808017 1.574523 -2.368801 Rho 0.1394299E+00 |GRAD(Rho)| 0.9723680E-13 GRAD(Rho)x -0.7589006E-13 GRAD(Rho)y 0.3400318E-13 GRAD(Rho)z 0.5039323E-13 Laplacian 0.5778943E+00 (-1/4)Del**2(Rho)) -0.1444736E+00 Diamond 0.1078973E+01 Metallicity 0.4470517E+01 Ellipticity 0.9861171E-02 Gb(Abramov) 0.2039610E+00 Vb(Abramov) -0.2634484E+00 Hb(Abramov) -0.5948741E-01 Ex_ueg -0.5339814E-01 Ec_ueg -0.7770346E-02 Delta_ex -0.6102990E-01 Delta_ec 0.1505143E-01 Delta_et -0.1985036E+00 Pxc 0.6872042E+01 Qxc -0.4054757E+01 3,-1 113 3 +1 -0.091217 2.181180 2.016495 Rho 0.5435452E-02 |GRAD(Rho)| 0.2156710E-14 GRAD(Rho)x -0.1464177E-14 GRAD(Rho)y 0.1211254E-14 GRAD(Rho)z -0.1020024E-14 Laplacian 0.2238485E-01 (-1/4)Del**2(Rho)) -0.5596212E-02 Diamond 0.6146620E-03 Metallicity 0.5172714E+00 Ellipticity -0.5490779E+01 Gb(Abramov) 0.4213268E-02 Vb(Abramov) -0.2830324E-02 Hb(Abramov) 0.1382944E-02 Ex_ueg -0.7058287E-03 Ec_ueg -0.1656999E-03 Delta_ex -0.1156575E-02 Delta_ec 0.7502882E-03 Delta_et -0.4159907E-02 Pxc 0.4259679E+01 Qxc -0.1541507E+01 3,+1 114 3 -1 -1.808017 1.574523 2.368801 Rho 0.1394299E+00 |GRAD(Rho)| 0.9747263E-13 GRAD(Rho)x -0.7605066E-13 GRAD(Rho)y 0.3418507E-13 GRAD(Rho)z -0.5048358E-13 Laplacian 0.5778943E+00 (-1/4)Del**2(Rho)) -0.1444736E+00 Diamond 0.1078973E+01 Metallicity 0.4470517E+01 Ellipticity 0.9861171E-02 Gb(Abramov) 0.2039610E+00 Vb(Abramov) -0.2634484E+00 Hb(Abramov) -0.5948741E-01 Ex_ueg -0.5339814E-01 Ec_ueg -0.7770346E-02 Delta_ex -0.6102990E-01 Delta_ec 0.1505143E-01 Delta_et -0.1985036E+00 Pxc 0.6872042E+01 Qxc -0.4054757E+01 3,-1 115 3 +3 0.030733 1.617286 -1.628647 Rho 0.4401429E-02 |GRAD(Rho)| 0.5205012E-12 GRAD(Rho)x -0.5083013E-12 GRAD(Rho)y -0.1112392E-12 GRAD(Rho)z 0.1331018E-13 Laplacian 0.1829966E-01 (-1/4)Del**2(Rho)) -0.4574915E-02 Diamond 0.1454974E-03 Metallicity 0.4451363E+00 Ellipticity -0.3067683E+00 Gb(Abramov) 0.3389353E-02 Vb(Abramov) -0.2203792E-02 Hb(Abramov) 0.1185561E-02 Ex_ueg -0.5327335E-03 Ec_ueg -0.1212455E-03 Delta_ex -0.6523465E-03 Delta_ec 0.1556031E-03 Delta_et -0.9853817E-03 Pxc 0.4393842E+01 Qxc -0.4192376E+01 3,+3 116 3 -1 -1.705113 1.522168 -0.844365 Rho 0.4052004E-01 |GRAD(Rho)| 0.9313880E-16 GRAD(Rho)x -0.8680203E-16 GRAD(Rho)y 0.1309079E-16 GRAD(Rho)z -0.3112677E-16 Laplacian 0.1579188E+00 (-1/4)Del**2(Rho)) -0.3947970E-01 Diamond 0.5933457E-01 Metallicity 0.2085911E+01 Ellipticity 0.2216927E-01 Gb(Abramov) 0.4004499E-01 Vb(Abramov) -0.4061028E-01 Hb(Abramov) -0.5652878E-03 Ex_ueg -0.1027886E-01 Ec_ueg -0.1897981E-02 Delta_ex -0.1228687E-01 Delta_ec 0.4629062E-02 Delta_et -0.4615495E-01 Pxc 0.5415681E+01 Qxc -0.2654290E+01 3,-1 117 3 -1 -1.705113 1.522168 0.844365 Rho 0.4052004E-01 |GRAD(Rho)| 0.3198225E-13 GRAD(Rho)x -0.2192289E-13 GRAD(Rho)y 0.8215342E-14 GRAD(Rho)z 0.2178898E-13 Laplacian 0.1579188E+00 (-1/4)Del**2(Rho)) -0.3947970E-01 Diamond 0.5933457E-01 Metallicity 0.2085911E+01 Ellipticity 0.2216927E-01 Gb(Abramov) 0.4004499E-01 Vb(Abramov) -0.4061028E-01 Hb(Abramov) -0.5652878E-03 Ex_ueg -0.1027886E-01 Ec_ueg -0.1897981E-02 Delta_ex -0.1228687E-01 Delta_ec 0.4629062E-02 Delta_et -0.4615495E-01 Pxc 0.5415681E+01 Qxc -0.2654290E+01 3,-1 118 3 -1 -0.189423 -3.366091 -1.585624 Rho 0.4535447E-02 |GRAD(Rho)| 0.3609300E-17 GRAD(Rho)x 0.3558303E-17 GRAD(Rho)y 0.4976765E-18 GRAD(Rho)z 0.3432805E-18 Laplacian 0.1737725E-01 (-1/4)Del**2(Rho)) -0.4344311E-02 Diamond 0.5604603E-03 Metallicity 0.4927943E+00 Ellipticity 0.1326194E+00 Gb(Abramov) 0.3253016E-02 Vb(Abramov) -0.2161721E-02 Hb(Abramov) 0.1091295E-02 Ex_ueg -0.5544706E-03 Ec_ueg -0.1269763E-03 Delta_ex -0.1064776E-02 Delta_ec 0.9342376E-03 Delta_et -0.4769143E-02 Pxc 0.4366725E+01 Qxc -0.1139727E+01 3,-1 119 3 -1 -0.189423 -3.366091 1.585624 Rho 0.4535447E-02 |GRAD(Rho)| 0.1190532E-16 GRAD(Rho)x 0.1152840E-16 GRAD(Rho)y 0.2862003E-17 GRAD(Rho)z -0.8009918E-18 Laplacian 0.1737725E-01 (-1/4)Del**2(Rho)) -0.4344311E-02 Diamond 0.5604603E-03 Metallicity 0.4927943E+00 Ellipticity 0.1326194E+00 Gb(Abramov) 0.3253016E-02 Vb(Abramov) -0.2161721E-02 Hb(Abramov) 0.1091295E-02 Ex_ueg -0.5544706E-03 Ec_ueg -0.1269763E-03 Delta_ex -0.1064776E-02 Delta_ec 0.9342376E-03 Delta_et -0.4769143E-02 Pxc 0.4366725E+01 Qxc -0.1139727E+01 3,-1 120 3 +1 1.354493 -0.819458 -2.191607 Rho 0.2540300E-01 |GRAD(Rho)| 0.1400328E-13 GRAD(Rho)x 0.1003327E-13 GRAD(Rho)y -0.9722553E-14 GRAD(Rho)z -0.9473132E-15 Laplacian 0.9843052E-01 (-1/4)Del**2(Rho)) -0.2460763E-01 Diamond 0.1270995E-01 Metallicity 0.1536827E+01 Ellipticity -0.3231833E+01 Gb(Abramov) 0.2270803E-01 Vb(Abramov) -0.2080843E-01 Hb(Abramov) 0.1899599E-02 Ex_ueg -0.5515247E-02 Ec_ueg -0.1109026E-02 Delta_ex -0.6100196E-02 Delta_ec 0.1584830E-02 Delta_et -0.1406320E-01 Pxc 0.4973056E+01 Qxc -0.3849116E+01 3,+1 121 3 +1 1.354493 -0.819458 2.191607 Rho 0.2540300E-01 |GRAD(Rho)| 0.1400650E-13 GRAD(Rho)x 0.1001847E-13 GRAD(Rho)y -0.9739363E-14 GRAD(Rho)z 0.9782902E-15 Laplacian 0.9843052E-01 (-1/4)Del**2(Rho)) -0.2460763E-01 Diamond 0.1270995E-01 Metallicity 0.1536827E+01 Ellipticity -0.3231833E+01 Gb(Abramov) 0.2270803E-01 Vb(Abramov) -0.2080843E-01 Hb(Abramov) 0.1899599E-02 Ex_ueg -0.5515247E-02 Ec_ueg -0.1109026E-02 Delta_ex -0.6100196E-02 Delta_ec 0.1584830E-02 Delta_et -0.1406320E-01 Pxc 0.4973056E+01 Qxc -0.3849116E+01 3,+1 122 3 -1 1.689899 0.813540 1.549615 Rho 0.2995508E-01 |GRAD(Rho)| 0.5944782E-14 GRAD(Rho)x -0.4247237E-14 GRAD(Rho)y -0.2965713E-14 GRAD(Rho)z -0.2916499E-14 Laplacian 0.1125846E+00 (-1/4)Del**2(Rho)) -0.2814615E-01 Diamond 0.2700285E-01 Metallicity 0.1768418E+01 Ellipticity 0.5469316E-01 Gb(Abramov) 0.2705979E-01 Vb(Abramov) -0.2597344E-01 Hb(Abramov) 0.1086355E-02 Ex_ueg -0.6870880E-02 Ec_ueg -0.1341290E-02 Delta_ex -0.8043010E-02 Delta_ec 0.3146581E-02 Delta_et -0.2889939E-01 Pxc 0.5122590E+01 Qxc -0.2556111E+01 3,-1 123 3 -1 2.826729 1.748992 0.875065 Rho 0.1407682E+00 |GRAD(Rho)| 0.1792638E-12 GRAD(Rho)x -0.2411210E-13 GRAD(Rho)y 0.6899008E-14 GRAD(Rho)z 0.1775008E-12 Laplacian 0.5901364E+00 (-1/4)Del**2(Rho)) -0.1475341E+00 Diamond 0.1111283E+01 Metallicity 0.4448036E+01 Ellipticity 0.1420170E-01 Gb(Abramov) 0.2077289E+00 Vb(Abramov) -0.2679237E+00 Hb(Abramov) -0.6019480E-01 Ex_ueg -0.5408262E-01 Ec_ueg -0.7855190E-02 Delta_ex -0.6243229E-01 Delta_ec 0.1527150E-01 Delta_et -0.2015677E+00 Pxc 0.6884955E+01 Qxc -0.4088156E+01 3,-1 124 3 -1 3.007413 0.857620 1.993300 Rho 0.1819928E+00 |GRAD(Rho)| 0.5547778E-11 GRAD(Rho)x 0.2340136E-11 GRAD(Rho)y -0.4987587E-11 GRAD(Rho)z 0.6523644E-12 Laplacian 0.7161070E+00 (-1/4)Del**2(Rho)) -0.1790267E+00 Diamond 0.1818521E+01 Metallicity 0.5624177E+01 Ellipticity 0.4544810E-01 Gb(Abramov) 0.2871642E+00 Vb(Abramov) -0.3953016E+00 Hb(Abramov) -0.1081374E+00 Ex_ueg -0.7617118E-01 Ec_ueg -0.1052209E-01 Delta_ex -0.8060282E-01 Delta_ec 0.1712761E-01 Delta_et -0.2329245E+00 Pxc 0.7239167E+01 Qxc -0.4706017E+01 3,-1 125 3 -1 2.826729 1.748992 -0.875065 Rho 0.1407682E+00 |GRAD(Rho)| 0.6003898E-13 GRAD(Rho)x -0.7831714E-14 GRAD(Rho)y 0.6750483E-15 GRAD(Rho)z -0.5952216E-13 Laplacian 0.5901364E+00 (-1/4)Del**2(Rho)) -0.1475341E+00 Diamond 0.1111283E+01 Metallicity 0.4448036E+01 Ellipticity 0.1420170E-01 Gb(Abramov) 0.2077289E+00 Vb(Abramov) -0.2679237E+00 Hb(Abramov) -0.6019480E-01 Ex_ueg -0.5408262E-01 Ec_ueg -0.7855190E-02 Delta_ex -0.6243229E-01 Delta_ec 0.1527150E-01 Delta_et -0.2015677E+00 Pxc 0.6884955E+01 Qxc -0.4088156E+01 3,-1 126 3 -1 3.219981 2.347161 -2.239762 Rho 0.2390735E+00 |GRAD(Rho)| 0.3018150E-15 GRAD(Rho)x -0.5458958E-16 GRAD(Rho)y 0.2831936E-15 GRAD(Rho)z -0.8895879E-16 Laplacian 0.8570138E+00 (-1/4)Del**2(Rho)) -0.2142534E+00 Diamond 0.3029388E+01 Metallicity 0.7404764E+01 Ellipticity 0.6611430E-02 Gb(Abramov) 0.4072517E+00 Vb(Abramov) -0.6002499E+00 Hb(Abramov) -0.1929982E+00 Ex_ueg -0.1095873E+00 Ec_ueg -0.1437509E-01 Delta_ex -0.1035068E+00 Delta_ec 0.1907281E-01 Delta_et -0.2646791E+00 Pxc 0.7623418E+01 Qxc -0.5426929E+01 3,-1 127 3 -1 3.219981 2.347161 2.239762 Rho 0.2390735E+00 |GRAD(Rho)| 0.6495132E-15 GRAD(Rho)x -0.6079664E-15 GRAD(Rho)y -0.1893017E-15 GRAD(Rho)z -0.1280985E-15 Laplacian 0.8570138E+00 (-1/4)Del**2(Rho)) -0.2142534E+00 Diamond 0.3029388E+01 Metallicity 0.7404764E+01 Ellipticity 0.6611430E-02 Gb(Abramov) 0.4072517E+00 Vb(Abramov) -0.6002499E+00 Hb(Abramov) -0.1929982E+00 Ex_ueg -0.1095873E+00 Ec_ueg -0.1437509E-01 Delta_ex -0.1035068E+00 Delta_ec 0.1907281E-01 Delta_et -0.2646791E+00 Pxc 0.7623418E+01 Qxc -0.5426929E+01 3,-1 128 3 +1 -1.215763 2.311961 0.685783 Rho 0.2453557E-01 |GRAD(Rho)| 0.1552842E-13 GRAD(Rho)x -0.1057418E-13 GRAD(Rho)y 0.8319727E-14 GRAD(Rho)z -0.7752474E-14 Laplacian 0.9724133E-01 (-1/4)Del**2(Rho)) -0.2431033E-01 Diamond 0.1325078E-01 Metallicity 0.1468101E+01 Ellipticity -0.5239864E+01 Gb(Abramov) 0.2215522E-01 Vb(Abramov) -0.2000012E-01 Hb(Abramov) 0.2155107E-02 Ex_ueg -0.5265585E-02 Ec_ueg -0.1065359E-02 Delta_ex -0.6113093E-02 Delta_ec 0.1820451E-02 Delta_et -0.1595408E-01 Pxc 0.4942543E+01 Qxc -0.3358010E+01 3,+1 129 3 +1 -1.215763 2.311961 -0.685783 Rho 0.2453557E-01 |GRAD(Rho)| 0.1409615E-13 GRAD(Rho)x 0.5118346E-14 GRAD(Rho)y -0.1207063E-13 GRAD(Rho)z 0.5177257E-14 Laplacian 0.9724133E-01 (-1/4)Del**2(Rho)) -0.2431033E-01 Diamond 0.1325078E-01 Metallicity 0.1468101E+01 Ellipticity -0.5239864E+01 Gb(Abramov) 0.2215522E-01 Vb(Abramov) -0.2000012E-01 Hb(Abramov) 0.2155107E-02 Ex_ueg -0.5265585E-02 Ec_ueg -0.1065359E-02 Delta_ex -0.6113093E-02 Delta_ec 0.1820451E-02 Delta_et -0.1595408E-01 Pxc 0.4942543E+01 Qxc -0.3358010E+01 3,+1 130 3 +1 -2.132558 1.705840 -0.000000 Rho 0.2433427E-01 |GRAD(Rho)| 0.6195329E-15 GRAD(Rho)x 0.5212603E-15 GRAD(Rho)y -0.3347514E-15 GRAD(Rho)z -0.7088737E-17 Laplacian 0.9401884E-01 (-1/4)Del**2(Rho)) -0.2350471E-01 Diamond 0.1221773E-01 Metallicity 0.1497714E+01 Ellipticity -0.4462739E+01 Gb(Abramov) 0.2153703E-01 Vb(Abramov) -0.1956935E-01 Hb(Abramov) 0.1967681E-02 Ex_ueg -0.5208063E-02 Ec_ueg -0.1055254E-02 Delta_ex -0.5847105E-02 Delta_ec 0.1669715E-02 Delta_et -0.1462307E-01 Pxc 0.4935362E+01 Qxc -0.3501858E+01 3,+1 131 3 -1 -2.990360 2.045010 0.799581 Rho 0.1392450E+00 |GRAD(Rho)| 0.3664191E-15 GRAD(Rho)x 0.3807583E-16 GRAD(Rho)y -0.6313445E-16 GRAD(Rho)z 0.3589251E-15 Laplacian 0.5500050E+00 (-1/4)Del**2(Rho)) -0.1375013E+00 Diamond 0.1023430E+01 Metallicity 0.4686829E+01 Ellipticity 0.3493641E-01 Gb(Abramov) 0.1990750E+00 Vb(Abramov) -0.2606487E+00 Hb(Abramov) -0.6157372E-01 Ex_ueg -0.5330375E-01 Ec_ueg -0.7758633E-02 Delta_ex -0.5804566E-01 Delta_ec 0.1429360E-01 Delta_et -0.1883968E+00 Pxc 0.6870250E+01 Qxc -0.4060954E+01 3,-1 132 3 +1 -2.008202 2.893664 -0.000000 Rho 0.1277132E-01 |GRAD(Rho)| 0.5489451E-15 GRAD(Rho)x -0.4553251E-15 GRAD(Rho)y -0.2246398E-15 GRAD(Rho)z -0.2087026E-15 Laplacian 0.6018844E-01 (-1/4)Del**2(Rho)) -0.1504711E-01 Diamond 0.2202577E-02 Metallicity 0.7989017E+00 Ellipticity -0.1180831E+01 Gb(Abramov) 0.1203493E-01 Vb(Abramov) -0.9022757E-02 Hb(Abramov) 0.3012176E-02 Ex_ueg -0.2204785E-02 Ec_ueg -0.4952921E-03 Delta_ex -0.2894799E-02 Delta_ec 0.5797363E-03 Delta_et -0.4563119E-02 Pxc 0.4451485E+01 Qxc -0.4993304E+01 3,+1 133 3 -1 -0.494618 2.385760 0.000000 Rho 0.3855386E-01 |GRAD(Rho)| 0.4376490E-12 GRAD(Rho)x -0.4161115E-12 GRAD(Rho)y 0.1356020E-12 GRAD(Rho)z -0.9269451E-17 Laplacian 0.1515751E+00 (-1/4)Del**2(Rho)) -0.3789378E-01 Diamond 0.5319546E-01 Metallicity 0.2000315E+01 Ellipticity 0.1378316E-01 Gb(Abramov) 0.3789577E-01 Vb(Abramov) -0.3789775E-01 Hb(Abramov) -0.1988567E-05 Ex_ueg -0.9619272E-02 Ec_ueg -0.1792703E-02 Delta_ex -0.1164664E-01 Delta_ec 0.4441250E-02 Delta_et -0.4369380E-01 Pxc 0.5365793E+01 Qxc -0.2622378E+01 3,-1 134 3 +3 0.030733 1.617286 1.628647 Rho 0.4401429E-02 |GRAD(Rho)| 0.1665628E-15 GRAD(Rho)x 0.8669016E-16 GRAD(Rho)y -0.1369418E-15 GRAD(Rho)z -0.3840479E-16 Laplacian 0.1829966E-01 (-1/4)Del**2(Rho)) -0.4574915E-02 Diamond 0.1454974E-03 Metallicity 0.4451363E+00 Ellipticity -0.3067683E+00 Gb(Abramov) 0.3389353E-02 Vb(Abramov) -0.2203792E-02 Hb(Abramov) 0.1185561E-02 Ex_ueg -0.5327335E-03 Ec_ueg -0.1212455E-03 Delta_ex -0.6523465E-03 Delta_ec 0.1556031E-03 Delta_et -0.9853817E-03 Pxc 0.4393842E+01 Qxc -0.4192376E+01 3,+3 135 3 -1 -0.054814 0.003783 4.472845 Rho 0.2394900E+00 |GRAD(Rho)| 0.9246799E-15 GRAD(Rho)x -0.1491320E-15 GRAD(Rho)y 0.1796133E-17 GRAD(Rho)z 0.9125730E-15 Laplacian 0.8810696E+00 (-1/4)Del**2(Rho)) -0.2202674E+00 Diamond 0.3101048E+01 Metallicity 0.7223517E+01 Ellipticity 0.1268645E-02 Gb(Abramov) 0.4120292E+00 Vb(Abramov) -0.6037910E+00 Hb(Abramov) -0.1917618E+00 Ex_ueg -0.1098420E+00 Ec_ueg -0.1440387E-01 Delta_ex -0.1063542E+00 Delta_ec 0.1940840E-01 Delta_et -0.2685235E+00 Pxc 0.7625866E+01 Qxc -0.5479804E+01 3,-1 136 3 -1 -0.054814 0.003783 -4.472845 Rho 0.2394900E+00 |GRAD(Rho)| 0.9139922E-15 GRAD(Rho)x -0.2806999E-15 GRAD(Rho)y -0.1783491E-16 GRAD(Rho)z -0.8696386E-15 Laplacian 0.8810696E+00 (-1/4)Del**2(Rho)) -0.2202674E+00 Diamond 0.3101048E+01 Metallicity 0.7223517E+01 Ellipticity 0.1268645E-02 Gb(Abramov) 0.4120292E+00 Vb(Abramov) -0.6037910E+00 Hb(Abramov) -0.1917618E+00 Ex_ueg -0.1098420E+00 Ec_ueg -0.1440387E-01 Delta_ex -0.1063542E+00 Delta_ec 0.1940840E-01 Delta_et -0.2685235E+00 Pxc 0.7625866E+01 Qxc -0.5479804E+01 3,-1 137 3 +3 1.838157 0.013084 -2.534516 Rho 0.1173748E-01 |GRAD(Rho)| 0.2331931E-14 GRAD(Rho)x -0.9051128E-15 GRAD(Rho)y -0.2018589E-14 GRAD(Rho)z -0.7375447E-15 Laplacian 0.5337381E-01 (-1/4)Del**2(Rho)) -0.1334345E-01 Diamond 0.1088235E-02 Metallicity 0.7826654E+00 Ellipticity -0.4791940E+00 Gb(Abramov) 0.1063621E-01 Vb(Abramov) -0.7928970E-02 Hb(Abramov) 0.2707241E-02 Ex_ueg -0.1970084E-02 Ec_ueg -0.4474635E-03 Delta_ex -0.2314679E-02 Delta_ec 0.1685424E-03 Delta_et -0.1664518E-02 Pxc 0.4402780E+01 Qxc -0.1373351E+02 3,+3 138 3 -1 0.295124 -0.079337 0.512796 Rho 0.1974746E+00 |GRAD(Rho)| 0.5214443E-13 GRAD(Rho)x -0.2884597E-13 GRAD(Rho)y 0.1574064E-15 GRAD(Rho)z -0.4343877E-13 Laplacian 0.6608305E+00 (-1/4)Del**2(Rho)) -0.1652076E+00 Diamond 0.2071578E+01 Metallicity 0.6982997E+01 Ellipticity 0.3213708E-02 Gb(Abramov) 0.3024125E+00 Vb(Abramov) -0.4396173E+00 Hb(Abramov) -0.1372048E+00 Ex_ueg -0.8493110E-01 Ec_ueg -0.1154919E-01 Delta_ex -0.7746049E-01 Delta_ec 0.1817969E-01 Delta_et -0.2583681E+00 Pxc 0.7353855E+01 Qxc -0.4260827E+01 3,-1 139 3 -1 0.295124 -0.079337 -0.512796 Rho 0.1974746E+00 |GRAD(Rho)| 0.2549374E-13 GRAD(Rho)x -0.7682023E-14 GRAD(Rho)y 0.7454538E-16 GRAD(Rho)z 0.2430867E-13 Laplacian 0.6608305E+00 (-1/4)Del**2(Rho)) -0.1652076E+00 Diamond 0.2071578E+01 Metallicity 0.6982997E+01 Ellipticity 0.3213708E-02 Gb(Abramov) 0.3024125E+00 Vb(Abramov) -0.4396173E+00 Hb(Abramov) -0.1372048E+00 Ex_ueg -0.8493110E-01 Ec_ueg -0.1154919E-01 Delta_ex -0.7746049E-01 Delta_ec 0.1817969E-01 Delta_et -0.2583681E+00 Pxc 0.7353855E+01 Qxc -0.4260827E+01 3,-1 140 3 +3 1.838157 0.013084 2.534516 Rho 0.1173748E-01 |GRAD(Rho)| 0.2366682E-14 GRAD(Rho)x -0.9243427E-15 GRAD(Rho)y -0.2045001E-14 GRAD(Rho)z 0.7514934E-15 Laplacian 0.5337381E-01 (-1/4)Del**2(Rho)) -0.1334345E-01 Diamond 0.1088235E-02 Metallicity 0.7826654E+00 Ellipticity -0.4791940E+00 Gb(Abramov) 0.1063621E-01 Vb(Abramov) -0.7928970E-02 Hb(Abramov) 0.2707241E-02 Ex_ueg -0.1970084E-02 Ec_ueg -0.4474635E-03 Delta_ex -0.2314679E-02 Delta_ec 0.1685424E-03 Delta_et -0.1664518E-02 Pxc 0.4402780E+01 Qxc -0.1373351E+02 3,+3 141 3 +1 2.042505 0.033041 -2.844084 Rho 0.1234579E-01 |GRAD(Rho)| 0.6434302E-14 GRAD(Rho)x -0.1443644E-14 GRAD(Rho)y 0.5603516E-14 GRAD(Rho)z -0.2813671E-14 Laplacian 0.5803750E-01 (-1/4)Del**2(Rho)) -0.1450938E-01 Diamond 0.2113911E-02 Metallicity 0.7830137E+00 Ellipticity -0.1212266E+01 Gb(Abramov) 0.1156642E-01 Vb(Abramov) -0.8623472E-02 Hb(Abramov) 0.2942952E-02 Ex_ueg -0.2107384E-02 Ec_ueg -0.4755554E-03 Delta_ex -0.2789677E-02 Delta_ec 0.6022731E-03 Delta_et -0.4661784E-02 Pxc 0.4431416E+01 Qxc -0.4631913E+01 3,+1 142 3 +1 2.042505 0.033041 2.844084 Rho 0.1234579E-01 |GRAD(Rho)| 0.5862354E-14 GRAD(Rho)x -0.2294499E-14 GRAD(Rho)y 0.3941118E-14 GRAD(Rho)z 0.3683756E-14 Laplacian 0.5803750E-01 (-1/4)Del**2(Rho)) -0.1450938E-01 Diamond 0.2113911E-02 Metallicity 0.7830137E+00 Ellipticity -0.1212266E+01 Gb(Abramov) 0.1156642E-01 Vb(Abramov) -0.8623472E-02 Hb(Abramov) 0.2942952E-02 Ex_ueg -0.2107384E-02 Ec_ueg -0.4755554E-03 Delta_ex -0.2789677E-02 Delta_ec 0.6022731E-03 Delta_et -0.4661784E-02 Pxc 0.4431416E+01 Qxc -0.4631913E+01 3,+1 143 3 -1 1.985498 1.546063 -2.690867 Rho 0.1411463E+00 |GRAD(Rho)| 0.4240342E-15 GRAD(Rho)x 0.3182269E-15 GRAD(Rho)y 0.6017661E-16 GRAD(Rho)z 0.2737068E-15 Laplacian 0.5582062E+00 (-1/4)Del**2(Rho)) -0.1395515E+00 Diamond 0.1055713E+01 Metallicity 0.4723543E+01 Ellipticity 0.2812003E-01 Gb(Abramov) 0.2028973E+00 Vb(Abramov) -0.2662431E+00 Hb(Abramov) -0.6334578E-01 Ex_ueg -0.5427642E-01 Ec_ueg -0.7879184E-02 Delta_ex -0.5910548E-01 Delta_ec 0.1445824E-01 Delta_et -0.1909578E+00 Pxc 0.6888585E+01 Qxc -0.4088013E+01 3,-1 144 3 -1 1.689899 0.813540 -1.549615 Rho 0.2995508E-01 |GRAD(Rho)| 0.5835607E-14 GRAD(Rho)x -0.4184617E-14 GRAD(Rho)y -0.2857454E-14 GRAD(Rho)z 0.2894519E-14 Laplacian 0.1125846E+00 (-1/4)Del**2(Rho)) -0.2814615E-01 Diamond 0.2700285E-01 Metallicity 0.1768418E+01 Ellipticity 0.5469316E-01 Gb(Abramov) 0.2705979E-01 Vb(Abramov) -0.2597344E-01 Hb(Abramov) 0.1086355E-02 Ex_ueg -0.6870880E-02 Ec_ueg -0.1341290E-02 Delta_ex -0.8043010E-02 Delta_ec 0.3146581E-02 Delta_et -0.2889939E-01 Pxc 0.5122590E+01 Qxc -0.2556111E+01 3,-1 145 3 -1 1.985498 1.546063 2.690867 Rho 0.1411463E+00 |GRAD(Rho)| 0.7397289E-12 GRAD(Rho)x -0.4330668E-12 GRAD(Rho)y -0.1456122E-12 GRAD(Rho)z 0.5817637E-12 Laplacian 0.5582062E+00 (-1/4)Del**2(Rho)) -0.1395515E+00 Diamond 0.1055713E+01 Metallicity 0.4723543E+01 Ellipticity 0.2812003E-01 Gb(Abramov) 0.2028973E+00 Vb(Abramov) -0.2662431E+00 Hb(Abramov) -0.6334578E-01 Ex_ueg -0.5427642E-01 Ec_ueg -0.7879184E-02 Delta_ex -0.5910548E-01 Delta_ec 0.1445824E-01 Delta_et -0.1909578E+00 Pxc 0.6888585E+01 Qxc -0.4088013E+01 3,-1 146 3 -1 2.800613 -1.719957 -0.858864 Rho 0.1414356E+00 |GRAD(Rho)| 0.5419713E-14 GRAD(Rho)x -0.1864557E-14 GRAD(Rho)y -0.4088804E-14 GRAD(Rho)z 0.3029586E-14 Laplacian 0.5793665E+00 (-1/4)Del**2(Rho)) -0.1448416E+00 Diamond 0.1102015E+01 Metallicity 0.4566579E+01 Ellipticity 0.7837626E-02 Gb(Abramov) 0.2067995E+00 Vb(Abramov) -0.2687575E+00 Hb(Abramov) -0.6195792E-01 Ex_ueg -0.5442478E-01 Ec_ueg -0.7897543E-02 Delta_ex -0.6141524E-01 Delta_ec 0.1506777E-01 Delta_et -0.1992146E+00 Pxc 0.6891356E+01 Qxc -0.4075934E+01 3,-1 147 3 -1 2.800613 -1.719957 0.858864 Rho 0.1414356E+00 |GRAD(Rho)| 0.9607417E-14 GRAD(Rho)x -0.2269066E-14 GRAD(Rho)y -0.7644164E-14 GRAD(Rho)z -0.5359157E-14 Laplacian 0.5793665E+00 (-1/4)Del**2(Rho)) -0.1448416E+00 Diamond 0.1102015E+01 Metallicity 0.4566579E+01 Ellipticity 0.7837626E-02 Gb(Abramov) 0.2067995E+00 Vb(Abramov) -0.2687575E+00 Hb(Abramov) -0.6195792E-01 Ex_ueg -0.5442478E-01 Ec_ueg -0.7897543E-02 Delta_ex -0.6141524E-01 Delta_ec 0.1506777E-01 Delta_et -0.1992146E+00 Pxc 0.6891356E+01 Qxc -0.4075934E+01 3,-1 148 3 -1 -3.246867 -2.174665 -2.297228 Rho 0.2308715E+00 |GRAD(Rho)| 0.5095207E-15 GRAD(Rho)x -0.4761816E-15 GRAD(Rho)y -0.1402687E-16 GRAD(Rho)z -0.1807365E-15 Laplacian 0.8503491E+00 (-1/4)Del**2(Rho)) -0.2125873E+00 Diamond 0.2872457E+01 Metallicity 0.7040979E+01 Ellipticity 0.2132245E-01 Gb(Abramov) 0.3911953E+00 Vb(Abramov) -0.5698033E+00 Hb(Abramov) -0.1786080E+00 Ex_ueg -0.1046033E+00 Ec_ueg -0.1381037E-01 Delta_ex -0.1017184E+00 Delta_ec 0.1902156E-01 Delta_et -0.2631715E+00 Pxc 0.7574260E+01 Qxc -0.5347533E+01 3,-1 149 3 -1 -3.246867 -2.174665 2.297228 Rho 0.2308715E+00 |GRAD(Rho)| 0.4680660E-15 GRAD(Rho)x -0.3912886E-15 GRAD(Rho)y -0.1608685E-16 GRAD(Rho)z 0.2563596E-15 Laplacian 0.8503491E+00 (-1/4)Del**2(Rho)) -0.2125873E+00 Diamond 0.2872457E+01 Metallicity 0.7040979E+01 Ellipticity 0.2132245E-01 Gb(Abramov) 0.3911953E+00 Vb(Abramov) -0.5698033E+00 Hb(Abramov) -0.1786080E+00 Ex_ueg -0.1046033E+00 Ec_ueg -0.1381037E-01 Delta_ex -0.1017184E+00 Delta_ec 0.1902156E-01 Delta_et -0.2631715E+00 Pxc 0.7574260E+01 Qxc -0.5347533E+01 3,-1 150 3 -1 -2.986044 -2.086379 -0.793417 Rho 0.1412242E+00 |GRAD(Rho)| 0.2447800E-15 GRAD(Rho)x 0.1347663E-15 GRAD(Rho)y 0.6279987E-16 GRAD(Rho)z -0.1944517E-15 Laplacian 0.5457237E+00 (-1/4)Del**2(Rho)) -0.1364309E+00 Diamond 0.1042929E+01 Metallicity 0.4836031E+01 Ellipticity 0.3888218E-01 Gb(Abramov) 0.2009180E+00 Vb(Abramov) -0.2654051E+00 Hb(Abramov) -0.6448706E-01 Ex_ueg -0.5431637E-01 Ec_ueg -0.7884128E-02 Delta_ex -0.5790100E-01 Delta_ec 0.1432845E-01 Delta_et -0.1896695E+00 Pxc 0.6889332E+01 Qxc -0.4040981E+01 3,-1 151 3 -1 -2.986044 -2.086379 0.793417 Rho 0.1412242E+00 |GRAD(Rho)| 0.2396739E-15 GRAD(Rho)x -0.5151316E-16 GRAD(Rho)y -0.3617508E-16 GRAD(Rho)z -0.2312603E-15 Laplacian 0.5457237E+00 (-1/4)Del**2(Rho)) -0.1364309E+00 Diamond 0.1042929E+01 Metallicity 0.4836031E+01 Ellipticity 0.3888218E-01 Gb(Abramov) 0.2009180E+00 Vb(Abramov) -0.2654051E+00 Hb(Abramov) -0.6448706E-01 Ex_ueg -0.5431637E-01 Ec_ueg -0.7884128E-02 Delta_ex -0.5790100E-01 Delta_ec 0.1432845E-01 Delta_et -0.1896695E+00 Pxc 0.6889332E+01 Qxc -0.4040981E+01 3,-1 152 3 +3 -2.377929 -0.032061 -0.000000 Rho 0.4905081E-02 |GRAD(Rho)| 0.7598238E-17 GRAD(Rho)x -0.6206820E-17 GRAD(Rho)y 0.1861639E-18 GRAD(Rho)z -0.4378807E-17 Laplacian 0.2046665E-01 (-1/4)Del**2(Rho)) -0.5116662E-02 Diamond 0.2073656E-03 Metallicity 0.4767713E+00 Ellipticity -0.6539445E+00 Gb(Abramov) 0.3817688E-02 Vb(Abramov) -0.2518713E-02 Hb(Abramov) 0.1298974E-02 Ex_ueg -0.6155264E-03 Ec_ueg -0.1428304E-03 Delta_ex -0.7682714E-03 Delta_ec 0.2060541E-03 Delta_et -0.1290245E-02 Pxc 0.4309493E+01 Qxc -0.3728494E+01 3,+3 153 3 +1 1.780366 2.530082 0.000000 Rho 0.1258069E-01 |GRAD(Rho)| 0.1874830E-16 GRAD(Rho)x 0.7294059E-17 GRAD(Rho)y -0.1755077E-17 GRAD(Rho)z 0.1718183E-16 Laplacian 0.6321546E-01 (-1/4)Del**2(Rho)) -0.1580386E-01 Diamond 0.2655605E-02 Metallicity 0.7418177E+00 Ellipticity -0.1244183E+01 Gb(Abramov) 0.1248984E-01 Vb(Abramov) -0.9175817E-02 Hb(Abramov) 0.3314024E-02 Ex_ueg -0.2161014E-02 Ec_ueg -0.4864415E-03 Delta_ex -0.3133584E-02 Delta_ec 0.7977147E-03 Delta_et -0.6067990E-02 Pxc 0.4442495E+01 Qxc -0.3928202E+01 3,+1 154 3 -1 3.007413 0.857620 -1.993300 Rho 0.1819928E+00 |GRAD(Rho)| 0.5567853E-11 GRAD(Rho)x -0.2347002E-11 GRAD(Rho)y 0.5006423E-11 GRAD(Rho)z 0.6544461E-12 Laplacian 0.7161070E+00 (-1/4)Del**2(Rho)) -0.1790267E+00 Diamond 0.1818521E+01 Metallicity 0.5624177E+01 Ellipticity 0.4544810E-01 Gb(Abramov) 0.2871642E+00 Vb(Abramov) -0.3953016E+00 Hb(Abramov) -0.1081374E+00 Ex_ueg -0.7617118E-01 Ec_ueg -0.1052209E-01 Delta_ex -0.8060282E-01 Delta_ec 0.1712761E-01 Delta_et -0.2329245E+00 Pxc 0.7239167E+01 Qxc -0.4706017E+01 3,-1 155 3 +3 2.333347 0.068065 -0.000000 Rho 0.3797562E-02 |GRAD(Rho)| 0.2533843E-12 GRAD(Rho)x -0.2462374E-13 GRAD(Rho)y -0.2371740E-12 GRAD(Rho)z -0.8570735E-13 Laplacian 0.1570059E-01 (-1/4)Del**2(Rho)) -0.3925147E-02 Diamond 0.1073864E-03 Metallicity 0.4057004E+00 Ellipticity -0.2817612E+00 Gb(Abramov) 0.2882170E-02 Vb(Abramov) -0.1839194E-02 Hb(Abramov) 0.1042977E-02 Ex_ueg -0.4375808E-03 Ec_ueg -0.9553977E-04 Delta_ex -0.5459240E-03 Delta_ec 0.1459379E-03 Delta_et -0.8734353E-03 Pxc 0.4580091E+01 Qxc -0.3740796E+01 3,+3 156 3 -1 2.970842 -0.819831 -1.973588 Rho 0.8391353E-01 |GRAD(Rho)| 0.4140370E-15 GRAD(Rho)x 0.1621729E-16 GRAD(Rho)y -0.4125288E-15 GRAD(Rho)z 0.3136351E-16 Laplacian 0.3408688E+00 (-1/4)Del**2(Rho)) -0.8521721E-01 Diamond 0.3402164E+00 Metallicity 0.3251466E+01 Ellipticity 0.2730047E-02 Gb(Abramov) 0.1029916E+00 Vb(Abramov) -0.1207660E+00 Hb(Abramov) -0.1777440E-01 Ex_ueg -0.2713278E-01 Ec_ueg -0.4361378E-02 Delta_ex -0.3184493E-01 Delta_ec 0.9763376E-02 Delta_et -0.1168236E+00 Pxc 0.6221150E+01 Qxc -0.3261672E+01 3,-1 157 3 -1 2.970842 -0.819831 1.973588 Rho 0.8391353E-01 |GRAD(Rho)| 0.3844130E-15 GRAD(Rho)x 0.4961919E-16 GRAD(Rho)y -0.3808362E-15 GRAD(Rho)z -0.1658491E-16 Laplacian 0.3408688E+00 (-1/4)Del**2(Rho)) -0.8521721E-01 Diamond 0.3402164E+00 Metallicity 0.3251466E+01 Ellipticity 0.2730047E-02 Gb(Abramov) 0.1029916E+00 Vb(Abramov) -0.1207660E+00 Hb(Abramov) -0.1777440E-01 Ex_ueg -0.2713278E-01 Ec_ueg -0.4361378E-02 Delta_ex -0.3184493E-01 Delta_ec 0.9763376E-02 Delta_et -0.1168236E+00 Pxc 0.6221150E+01 Qxc -0.3261672E+01 3,-1 158 3 -1 -2.125277 -2.904663 -1.685349 Rho 0.2324493E+00 |GRAD(Rho)| 0.7393164E-13 GRAD(Rho)x -0.4728130E-13 GRAD(Rho)y 0.5505622E-13 GRAD(Rho)z 0.1411307E-13 Laplacian 0.8944976E+00 (-1/4)Del**2(Rho)) -0.2236244E+00 Diamond 0.3005095E+01 Metallicity 0.6769879E+01 Ellipticity 0.1217332E-01 Gb(Abramov) 0.4014013E+00 Vb(Abramov) -0.5791782E+00 Hb(Abramov) -0.1777769E+00 Ex_ueg -0.1055575E+00 Ec_ueg -0.1391871E-01 Delta_ex -0.1069594E+00 Delta_ec 0.1955926E-01 Delta_et -0.2689548E+00 Pxc 0.7583858E+01 Qxc -0.5468478E+01 3,-1 159 3 -1 -2.125277 -2.904663 1.685349 Rho 0.2324493E+00 |GRAD(Rho)| 0.7314792E-13 GRAD(Rho)x -0.4662297E-13 GRAD(Rho)y 0.5454458E-13 GRAD(Rho)z -0.1420580E-13 Laplacian 0.8944976E+00 (-1/4)Del**2(Rho)) -0.2236244E+00 Diamond 0.3005095E+01 Metallicity 0.6769879E+01 Ellipticity 0.1217332E-01 Gb(Abramov) 0.4014013E+00 Vb(Abramov) -0.5791782E+00 Hb(Abramov) -0.1777769E+00 Ex_ueg -0.1055575E+00 Ec_ueg -0.1391871E-01 Delta_ex -0.1069594E+00 Delta_ec 0.1955926E-01 Delta_et -0.2689548E+00 Pxc 0.7583858E+01 Qxc -0.5468478E+01 3,-1 160 3 +3 -1.818519 2.597915 -0.000000 Rho 0.1224428E-01 |GRAD(Rho)| 0.1440728E-16 GRAD(Rho)x -0.8482465E-17 GRAD(Rho)y -0.1995408E-17 GRAD(Rho)z -0.1147327E-16 Laplacian 0.5548619E-01 (-1/4)Del**2(Rho)) -0.1387155E-01 Diamond 0.1163249E-02 Metallicity 0.8078241E+00 Ellipticity -0.5870510E+00 Gb(Abramov) 0.1111533E-01 Vb(Abramov) -0.8359106E-02 Hb(Abramov) 0.2756221E-02 Ex_ueg -0.2084311E-02 Ec_ueg -0.4708574E-03 Delta_ex -0.2426189E-02 Delta_ec 0.1564670E-03 Delta_et -0.1607550E-02 Pxc 0.4426630E+01 Qxc -0.1550608E+02 3,+3 161 3 -1 -1.974782 2.695299 -1.507179 Rho 0.1216653E+00 |GRAD(Rho)| 0.4484160E-13 GRAD(Rho)x -0.3629760E-13 GRAD(Rho)y -0.1813572E-14 GRAD(Rho)z -0.2626717E-13 Laplacian 0.4877682E+00 (-1/4)Del**2(Rho)) -0.1219420E+00 Diamond 0.7665378E+00 Metallicity 0.4220308E+01 Ellipticity 0.1582704E-01 Gb(Abramov) 0.1670669E+00 Vb(Abramov) -0.2121917E+00 Hb(Abramov) -0.4512482E-01 Ex_ueg -0.4452535E-01 Ec_ueg -0.6655207E-02 Delta_ex -0.4976257E-01 Delta_ec 0.1296809E-01 Delta_et -0.1669967E+00 Pxc 0.6690302E+01 Qxc -0.3837310E+01 3,-1 162 3 -1 -1.974782 2.695299 1.507179 Rho 0.1216653E+00 |GRAD(Rho)| 0.2465263E-14 GRAD(Rho)x -0.1192880E-14 GRAD(Rho)y -0.2120916E-14 GRAD(Rho)z 0.3953137E-15 Laplacian 0.4877682E+00 (-1/4)Del**2(Rho)) -0.1219420E+00 Diamond 0.7665378E+00 Metallicity 0.4220308E+01 Ellipticity 0.1582704E-01 Gb(Abramov) 0.1670669E+00 Vb(Abramov) -0.2121917E+00 Hb(Abramov) -0.4512482E-01 Ex_ueg -0.4452535E-01 Ec_ueg -0.6655207E-02 Delta_ex -0.4976257E-01 Delta_ec 0.1296809E-01 Delta_et -0.1669967E+00 Pxc 0.6690302E+01 Qxc -0.3837310E+01 3,-1 163 3 -1 -3.210675 2.211112 -2.307328 Rho 0.2360285E+00 |GRAD(Rho)| 0.2852332E-14 GRAD(Rho)x -0.1982247E-14 GRAD(Rho)y 0.1164271E-14 GRAD(Rho)z 0.1688482E-14 Laplacian 0.8618742E+00 (-1/4)Del**2(Rho)) -0.2154686E+00 Diamond 0.2985156E+01 Metallicity 0.7207370E+01 Ellipticity 0.7602705E-02 Gb(Abramov) 0.4024726E+00 Vb(Abramov) -0.5894767E+00 Hb(Abramov) -0.1870041E+00 Ex_ueg -0.1077303E+00 Ec_ueg -0.1416501E-01 Delta_ex -0.1036662E+00 Delta_ec 0.1910986E-01 Delta_et -0.2644421E+00 Pxc 0.7605379E+01 Qxc -0.5424752E+01 3,-1 164 3 -1 -3.210675 2.211112 2.307328 Rho 0.2360285E+00 |GRAD(Rho)| 0.9294764E-15 GRAD(Rho)x 0.7789993E-15 GRAD(Rho)y -0.1095044E-16 GRAD(Rho)z -0.5069187E-15 Laplacian 0.8618742E+00 (-1/4)Del**2(Rho)) -0.2154686E+00 Diamond 0.2985156E+01 Metallicity 0.7207370E+01 Ellipticity 0.7602705E-02 Gb(Abramov) 0.4024726E+00 Vb(Abramov) -0.5894767E+00 Hb(Abramov) -0.1870041E+00 Ex_ueg -0.1077303E+00 Ec_ueg -0.1416501E-01 Delta_ex -0.1036662E+00 Delta_ec 0.1910986E-01 Delta_et -0.2644421E+00 Pxc 0.7605379E+01 Qxc -0.5424752E+01 3,-1 165 3 -1 0.070819 4.532058 -0.000000 Rho 0.2380337E+00 |GRAD(Rho)| 0.4605575E-15 GRAD(Rho)x -0.1121607E-15 GRAD(Rho)y -0.4466913E-15 GRAD(Rho)z -0.2202297E-18 Laplacian 0.8645330E+00 (-1/4)Del**2(Rho)) -0.2161332E+00 Diamond 0.3030963E+01 Metallicity 0.7287230E+01 Ellipticity 0.9220839E-03 Gb(Abramov) 0.4065910E+00 Vb(Abramov) -0.5970487E+00 Hb(Abramov) -0.1904577E+00 Ex_ueg -0.1089523E+00 Ec_ueg -0.1430330E-01 Delta_ex -0.1042478E+00 Delta_ec 0.1917826E-01 Delta_et -0.2657217E+00 Pxc 0.7617286E+01 Qxc -0.5435728E+01 3,-1 166 3 -1 1.489962 -3.071017 -0.000000 Rho 0.7357692E-02 |GRAD(Rho)| 0.3576705E-16 GRAD(Rho)x -0.3870380E-17 GRAD(Rho)y -0.3542970E-16 GRAD(Rho)z 0.3006405E-17 Laplacian 0.3029619E-01 (-1/4)Del**2(Rho)) -0.7574046E-02 Diamond 0.1535160E-02 Metallicity 0.6330838E+00 Ellipticity 0.6841701E+00 Gb(Abramov) 0.5848532E-02 Vb(Abramov) -0.4123018E-02 Hb(Abramov) 0.1725514E-02 Ex_ueg -0.1056916E-02 Ec_ueg -0.2497435E-03 Delta_ex -0.1818773E-02 Delta_ec 0.1297500E-02 Delta_et -0.7779547E-02 Pxc 0.4232007E+01 Qxc -0.1401752E+01 3,-1 167 3 -1 1.826848 2.382904 -1.561878 Rho 0.1331673E+00 |GRAD(Rho)| 0.1893144E-12 GRAD(Rho)x 0.1543348E-12 GRAD(Rho)y -0.1062066E-12 GRAD(Rho)z -0.2721899E-13 Laplacian 0.5626242E+00 (-1/4)Del**2(Rho)) -0.1406560E+00 Diamond 0.9876132E+00 Metallicity 0.4253281E+01 Ellipticity 0.9844046E-02 Gb(Abramov) 0.1934790E+00 Vb(Abramov) -0.2463019E+00 Hb(Abramov) -0.5282293E-01 Ex_ueg -0.5022445E-01 Ec_ueg -0.7374851E-02 Delta_ex -0.5868451E-01 Delta_ec 0.1468294E-01 Delta_et -0.1919968E+00 Pxc 0.6810233E+01 Qxc -0.3996780E+01 3,-1 168 3 -1 1.826848 2.382904 1.561878 Rho 0.1331673E+00 |GRAD(Rho)| 0.2766480E-09 GRAD(Rho)x 0.2026868E-09 GRAD(Rho)y -0.1685592E-09 GRAD(Rho)z 0.8390441E-10 Laplacian 0.5626242E+00 (-1/4)Del**2(Rho)) -0.1406560E+00 Diamond 0.9876132E+00 Metallicity 0.4253281E+01 Ellipticity 0.9844046E-02 Gb(Abramov) 0.1934790E+00 Vb(Abramov) -0.2463019E+00 Hb(Abramov) -0.5282293E-01 Ex_ueg -0.5022445E-01 Ec_ueg -0.7374851E-02 Delta_ex -0.5868451E-01 Delta_ec 0.1468294E-01 Delta_et -0.1919968E+00 Pxc 0.6810233E+01 Qxc -0.3996780E+01 3,-1 169 3 -1 -0.573090 -0.676577 -3.204191 Rho 0.1506454E+00 |GRAD(Rho)| 0.4978484E-15 GRAD(Rho)x 0.3688998E-15 GRAD(Rho)y 0.3343137E-15 GRAD(Rho)z 0.5692061E-18 Laplacian 0.6406373E+00 (-1/4)Del**2(Rho)) -0.1601593E+00 Diamond 0.1298319E+01 Metallicity 0.4587691E+01 Ellipticity 0.2120119E-01 Gb(Abramov) 0.2292331E+00 Vb(Abramov) -0.2983069E+00 Hb(Abramov) -0.6907381E-01 Ex_ueg -0.5920063E-01 Ec_ueg -0.8484843E-02 Delta_ex -0.6880527E-01 Delta_ec 0.1611961E-01 Delta_et -0.2144390E+00 Pxc 0.6977221E+01 Qxc -0.4268420E+01 3,-1 170 3 -1 -0.465577 -0.573541 -0.000000 Rho 0.2063177E+00 |GRAD(Rho)| 0.7037885E-15 GRAD(Rho)x 0.3310581E-15 GRAD(Rho)y -0.6210582E-15 GRAD(Rho)z 0.2334346E-17 Laplacian 0.7568346E+00 (-1/4)Del**2(Rho)) -0.1892087E+00 Diamond 0.2449996E+01 Metallicity 0.6559028E+01 Ellipticity 0.3763444E-01 Gb(Abramov) 0.3329766E+00 Vb(Abramov) -0.4767445E+00 Hb(Abramov) -0.1437679E+00 Ex_ueg -0.9003960E-01 Ec_ueg -0.1214191E-01 Delta_ex -0.8935293E-01 Delta_ec 0.2000000E-01 Delta_et -0.2840248E+00 Pxc 0.7415606E+01 Qxc -0.4467647E+01 3,-1 171 3 -1 -0.573090 -0.676577 3.204191 Rho 0.1506454E+00 |GRAD(Rho)| 0.1545108E-13 GRAD(Rho)x -0.1824251E-14 GRAD(Rho)y -0.3830812E-14 GRAD(Rho)z -0.1485708E-13 Laplacian 0.6406373E+00 (-1/4)Del**2(Rho)) -0.1601593E+00 Diamond 0.1298319E+01 Metallicity 0.4587691E+01 Ellipticity 0.2120119E-01 Gb(Abramov) 0.2292331E+00 Vb(Abramov) -0.2983069E+00 Hb(Abramov) -0.6907381E-01 Ex_ueg -0.5920063E-01 Ec_ueg -0.8484843E-02 Delta_ex -0.6880527E-01 Delta_ec 0.1611961E-01 Delta_et -0.2144390E+00 Pxc 0.6977221E+01 Qxc -0.4268420E+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 73 109 77 171 94 88 135 138 170 139 79 89 169 74 86 90 136 133 83 84 85 82 165 104 147 98 157 101 106 144 125 167 154 143 126 116 56 112 111 161 163 68 110 69 151 159 149 65 108 64 150 158 148 117 55 114 131 162 164 122 123 168 124 145 127 102 146 96 156 100 105 166 118 119 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 21 21 28 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 28 36 37 2.400591 1.936544 1.909298 1.953594 1.925864 1.744132 1.569795 1.547836 1.569795 1.577004 2.400591 1.909298 1.936544 1.925864 1.953594 1.744132 2.477034 1.926156 1.926156 1.919460 1.919460 1.746673 2.511002 1.936423 1.749519 2.156703 1.987116 1.757147 2.593657 1.937142 1.960383 1.848390 1.946345 1.745250 2.460418 1.822831 1.942630 1.952414 2.006877 1.749878 2.384947 2.184439 1.970013 1.947113 1.754791 1.758474 2.384947 2.184439 1.970013 1.947113 1.754791 1.758474 2.460418 1.822831 1.942630 1.952414 2.006877 1.749878 2.593657 1.937142 1.960383 1.848390 1.946345 1.745250 2.511002 1.936423 1.749519 2.156703 1.987116 1.757147 3.032060 3.247817 3.247817 2.401980 1.936989 1.909698 1.954199 1.926450 1.744138 1.569836 1.547934 1.569837 1.577007 2.401981 1.909699 1.936991 1.926452 1.954199 1.744135 2.478208 1.926539 1.926541 1.919955 1.919956 1.746680 2.512037 1.936812 1.749556 2.157211 1.987693 1.757183 2.594645 1.937551 1.960830 1.848798 1.946910 1.745258 2.461384 1.823202 1.943000 1.952972 2.007459 1.749892 2.386631 2.184820 1.970434 1.947698 1.754805 1.758497 2.386630 2.184808 1.970420 1.947699 1.754805 1.758496 2.461387 1.823203 1.942999 1.952973 2.007459 1.749893 2.594643 1.937598 1.960799 1.848800 1.946910 1.745257 2.512039 1.936813 1.749557 2.157212 1.987692 1.757183 3.045234 3.249602 3.249602 27 23 23 26 23 23 19 21 20 21 27 23 23 23 25 20 29 23 23 23 23 24 29 23 22 25 26 23 29 23 27 23 26 21 29 22 25 25 25 22 27 26 25 23 21 22 27 25 23 23 21 22 31 22 26 25 25 23 29 26 23 24 25 21 29 23 22 25 23 22 33 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 W P 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 2.4549 2.3711 2.4549 2.4630 2.3358 2.4347 2.4345 2.3628 2.3628 2.4345 2.4347 2.3358 -1.0439 -0.9854 -1.0439 -1.0446 -0.9264 -0.9934 -0.9264 -0.9741 -0.7694 -0.9696 -0.9791 -0.9666 -0.9666 -0.9791 -0.9696 -0.7694 -0.9607 -1.0081 -0.9607 -0.9890 -0.9799 -0.9899 -0.9866 -0.8050 -0.8050 -0.9866 -0.9899 -0.9799 -0.8099 -0.8475 -0.8099 -0.8238 -0.8475 -0.8202 -0.8304 -0.8454 -0.8454 -0.8304 -0.8202 2.0955 2.5182 2.0955 2.0904 2.1309 2.0968 2.0951 2.1347 2.1347 2.0951 2.0968 2.1309 1.8961 1.8990 1.8961 1.8921 1.9414 1.9301 1.9414 1.9298 1.9659 1.9304 1.9295 1.9304 1.9304 1.9295 1.9304 1.9659 1.9433 1.9379 1.9433 1.9391 1.9380 1.9387 1.9391 1.9562 1.9562 1.9391 1.9387 1.9380 1.9623 1.9565 1.9623 1.9597 1.9565 1.9614 1.9594 1.9554 1.9554 1.9594 1.9614 6.0989 7.2916 6.0989 6.0907 6.1201 6.1008 6.0981 6.1043 6.1043 6.0981 6.1008 6.1201 5.1089 5.0479 5.1089 5.1134 4.9546 5.0335 4.9546 5.0145 4.7681 5.0102 5.0202 5.0064 5.0064 5.0202 5.0102 4.7681 4.9874 5.0383 4.9874 5.0181 5.0103 5.0201 5.0173 4.8159 4.8159 5.0173 5.0201 5.0103 4.8130 4.8584 4.8130 4.8300 4.8584 4.8244 4.8374 4.8577 4.8577 4.8374 4.8244 3.3210 0.8192 3.3210 3.3261 3.3848 3.3384 3.3427 3.3697 3.3697 3.3427 3.3384 3.3848 0.0389 0.0386 0.0389 0.0391 0.0304 0.0298 0.0304 0.0298 0.0354 0.0290 0.0293 0.0298 0.0298 0.0293 0.0290 0.0354 0.0300 0.0320 0.0300 0.0318 0.0316 0.0312 0.0302 0.0329 0.0329 0.0302 0.0312 0.0316 0.0345 0.0325 0.0345 0.0341 0.0325 0.0344 0.0336 0.0323 0.0323 0.0336 0.0344 14.0297 0.0000 14.0297 14.0298 14.0283 14.0294 14.0296 14.0286 14.0286 14.0296 14.0294 14.0283 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 W P 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 2.518384 2.009930 2.518384 2.510238 2.468189 2.501257 2.497552 2.493559 2.493559 2.497552 2.501257 2.468189 -1.025266 -0.978323 -1.025266 -1.034228 -0.952060 -0.985141 -0.952060 -0.975435 -0.834148 -0.979504 -0.970351 -0.974518 -0.974518 -0.970351 -0.979504 -0.834148 -0.965324 -0.974365 -0.965324 -0.973282 -0.968155 -0.969297 -0.976634 -0.859261 -0.859261 -0.976634 -0.969297 -0.968155 -0.847936 -0.896573 -0.847936 -0.866004 -0.896573 -0.860443 -0.873850 -0.892316 -0.892316 -0.873850 -0.860443 1.939211 1.596309 1.939211 1.930975 1.930229 1.929350 1.924676 1.946067 1.946067 1.924676 1.929350 1.930229 -0.729499 -0.712702 -0.729499 -0.735032 -0.740047 -0.725909 -0.740047 -0.731658 -0.723981 -0.733404 -0.717131 -0.729786 -0.729786 -0.717131 -0.733404 -0.723981 -0.813455 -0.791486 -0.813455 -0.798130 -0.793943 -0.792762 -0.812471 -0.767086 -0.767086 -0.812471 -0.792762 -0.793943 -0.759425 -0.813505 -0.759425 -0.778191 -0.813505 -0.770472 -0.783920 -0.815734 -0.815734 -0.783920 -0.770472 2.044152 1.560387 2.044152 2.034464 2.023339 2.040231 2.033181 2.047004 2.047004 2.033181 2.040231 2.023339 -0.799955 -0.764148 -0.799955 -0.806495 -0.802862 -0.820115 -0.802862 -0.825724 -0.731171 -0.814716 -0.810053 -0.804695 -0.804695 -0.810053 -0.814716 -0.731171 -0.836814 -0.840087 -0.836814 -0.843201 -0.828205 -0.841281 -0.848227 -0.754392 -0.754392 -0.848227 -0.841281 -0.828205 -0.723078 -0.786824 -0.723078 -0.743600 -0.786824 -0.735614 -0.747450 -0.798310 -0.798310 -0.747450 -0.735614 1.82264510 2.97673352 0.00000000 3.49041224 -21.44464285 -1.61763107 -0.00000000 12.89661004 0.00000000 8.54803281 -385.0233 403.7050 -13.1636 -406.2243 -58.4443 -459.1505 Mar13-2024 15:07:22 Nodes: 1 Procs: 1 Mar13-2024 15:07:23 Nodes: 1 Procs: 1 0 Mar13-2024 15:07:24 Nodes: 1 Procs: 1 Mar13-2024 15:07:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar13-2024 15:07:25 Nodes: 1 Procs: 1 Mar13-2024 15:07:26 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar13-2024 15:07:28 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -16.18872187 -16.65246882 -16.49175975 -16.76309553 -16.83849219 -16.85559937 -16.86029710 -16.86726547 -16.86980990 -16.87159825 -16.87248620 -16.87303980 -16.87330742 -16.87339125 -16.87341109 -16.87344040 -16.87346333 -16.87347139 GEOMETRY CONVERGED