ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:47:20 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.03 0.03 3.08 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun19-2024 12:47:20 Nodes: 1 Procs: 1 Jun19-2024 12:47:23 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:47:27 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.63 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 12:47:20 Nodes: 1 Procs: 1 Jun19-2024 12:47:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:47:27 Nodes: 1 Procs: 1 Jun19-2024 12:47:29 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:47:33 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.92 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 Jun19-2024 12:47:20 Nodes: 1 Procs: 1 Jun19-2024 12:47:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:47:27 Nodes: 1 Procs: 1 Jun19-2024 12:47:29 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:47:33 Nodes: 1 Procs: 1 Jun19-2024 12:47:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:47:38 Arsenic (TZP, 3p frozen) c10-10 c10-10 c10-10 c10-10 c10-10 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.41 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 Jun19-2024 12:47:20 Nodes: 1 Procs: 1 Jun19-2024 12:47:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:47:27 Nodes: 1 Procs: 1 Jun19-2024 12:47:29 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:47:33 Nodes: 1 Procs: 1 Jun19-2024 12:47:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:47:38 Nodes: 1 Procs: 1 Jun19-2024 12:47:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:47:46 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2715.3540000000057 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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 2019.304 Jun19-2024 12:47:40 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 12:47:23 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 12:47:29 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 12:47:36 1 1 Oxygen TZP 1s 1 1 -16.44869111 0.35416019 0.00100000 F 0.09996263 0.00066667 F 0.35416019 0.09996263 0.26204252 0.01000000 F 0.06290535 0.00666667 F Cartesian 2715.3540000000057 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68.5422 68.6932 68.8793 68.9230 69.0957 69.2837 69.4003 69.6817 69.7016 69.7534 69.9039 69.9054 70.0554 70.1811 70.1994 70.3171 70.3395 70.6289 70.6343 70.7793 71.0397 71.1542 71.1660 71.1687 71.4829 71.6675 74.2619 75.1311 75.7315 75.9413 76.3699 77.0867 77.2640 78.1441 78.3374 78.4536 79.5853 79.8148 80.1007 80.3234 80.5025 80.7395 80.8229 81.2207 81.5813 81.7164 81.7442 81.9132 82.0038 82.4277 82.5503 82.6768 82.8037 82.8375 82.9722 83.1148 83.3071 83.3714 83.3953 83.6682 83.9036 83.9380 84.3781 84.3790 84.6530 85.0693 85.1169 85.1874 85.4269 85.7887 86.3791 86.5904 87.0042 87.3890 87.4640 88.5155 88.6362 89.2183 89.6510 89.9313 90.3775 90.8789 91.0312 91.4679 91.6051 91.8204 92.0497 93.2205 93.2589 93.6437 93.8802 101.3609 101.5348 103.7866 104.1957 104.5443 104.9166 105.3974 105.6111 105.7905 106.7319 107.4078 118.3315 119.6960 121.4879 122.1467 122.8418 123.4909 123.6816 124.0277 124.4324 124.6091 125.4739 125.8152 125.9324 126.0095 126.3121 126.8904 127.1777 127.4805 127.9237 128.3818 128.8516 128.9262 129.0319 129.5388 129.7761 129.8144 130.5597 131.0039 131.0752 131.6590 132.1079 132.2351 132.5520 133.1455 133.4392 133.6032 134.0117 134.1292 134.2583 134.7179 135.0265 135.2226 135.3364 135.5340 135.8461 135.9301 136.0940 136.1068 136.3746 136.6940 136.8075 137.3191 137.7330 137.9053 138.0199 138.2284 138.2353 138.4846 138.6225 138.6540 138.7661 139.0454 139.4039 139.5527 139.8364 140.0814 140.4687 140.5406 141.3446 141.4116 141.7673 141.8144 142.2004 142.4525 142.6138 143.5084 143.7524 144.1938 144.2103 144.4879 145.2027 145.3261 145.6167 146.1104 146.7055 146.8230 147.4365 148.3232 148.6727 149.1448 149.2784 149.6963 149.8538 150.2104 150.9007 151.1576 151.7526 151.8812 152.8910 153.0278 153.4526 153.9379 154.1396 154.7220 155.0248 155.3237 155.3881 155.9758 156.0588 156.3601 156.9921 157.6004 157.6527 158.4704 158.9663 159.2630 159.8685 161.5351 162.0828 162.4704 162.5158 163.2142 164.3383 165.3492 165.5091 166.2753 166.3442 167.9269 168.1775 168.2267 168.9511 169.3424 170.1877 170.6244 170.8477 171.9259 172.6892 173.7103 174.8201 175.9192 177.0609 178.7724 178.7738 180.5502 182.9324 183.7841 184.1173 185.8434 186.1295 188.2310 410.7074 411.1045 413.5579 413.9629 413.9994 414.5867 417.1654 417.5246 420.7433 422.2535 422.4164 422.4450 425.3191 425.6972 448.1832 448.7038 449.6138 450.2997 450.9199 475.0460 475.0635 475.1799 475.3606 475.3749 475.4002 475.4961 475.6894 475.7600 477.6944 477.7906 477.8917 477.8984 477.9529 478.1665 478.1839 478.2755 478.2996 478.3458 478.5553 478.5612 478.5877 478.5922 478.8041 478.9777 479.0674 479.3139 480.0428 480.1237 480.4763 480.6929 480.7463 481.2335 481.2656 481.4109 482.2258 483.7895 484.4101 485.0480 485.1243 485.2051 485.4169 485.9544 486.0755 486.3149 486.3882 486.4258 486.7456 486.7721 487.0544 487.3514 487.6687 487.7632 487.7947 488.5060 488.8296 488.9284 488.9887 489.1163 489.6528 489.8546 490.1618 490.3068 921.1594 925.3738 925.5784 926.1114 927.2581 930.1687 932.2824 932.3569 933.2247 934.7784 936.7672 937.7506 938.1397 940.7935 941.5773 942.3394 942.9947 943.5983 944.1220 945.0442 946.2336 946.5787 946.9984 949.2512 951.0911 954.2395 954.7427 955.5130 957.7888 958.3055 960.2468 960.5654 962.9839 966.9792 969.0906 977.8671 985.7387 986.6251 989.5668 82518.7609 82534.0795 82905.2269 82918.8652 82922.5403 82923.2602 82927.9800 82934.4513 82938.1010 82938.5333 82943.5496 0.00000000062628 0.00041746257179 0.00031504103986 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 33 73 73 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 0.083779 -0.015763 3.561621 0.083779 -0.015763 -3.561621 -0.129094 3.629353 0.000000 2.559616 -1.833942 1.866306 2.578750 1.741509 -1.890632 -2.604136 -1.997517 1.724167 -2.604136 -1.997517 -1.724167 2.578750 1.741509 1.890632 2.559616 -1.833942 -1.866306 -0.104919 -0.104334 0.000000 -2.614970 1.881578 -1.718661 -2.614970 1.881578 1.718661 0.942582 -0.094249 1.371255 -1.086264 -1.482194 0.000000 0.942582 -0.094249 -1.371255 -0.978260 1.377213 0.000000 -2.992043 0.009190 1.632647 3.050082 -1.565975 0.000000 -2.992043 0.009190 -1.632647 3.049263 1.717836 0.000000 1.480055 -3.177525 -1.528936 1.147976 2.928129 1.304305 -1.145745 -1.331411 -2.961580 -1.093478 1.326838 3.003905 -1.093478 1.326838 -3.003905 -1.145745 -1.331411 2.961580 1.147976 2.928129 -1.304305 1.480055 -3.177525 1.528936 3.460049 0.118137 2.114101 -3.525590 -2.176252 0.000000 3.460049 0.118137 -2.114101 -3.517582 2.280541 0.000000 1.524832 1.368817 3.471130 1.595021 -1.302562 -3.492426 -1.454171 3.570649 1.356369 -1.861777 -3.609647 -1.700658 -1.861777 -3.609647 1.700658 -1.454171 3.570649 -1.356369 1.595021 -1.302562 3.492426 1.524832 1.368817 -3.471130 -0.169056 -0.039807 5.301351 3.987706 -2.635483 -2.533627 -0.169056 -0.039807 -5.301351 0.295322 5.337290 0.000000 3.987706 -2.635483 2.533627 3.741254 2.893384 -2.529116 -3.804654 2.542991 -2.906480 -3.958470 -2.287655 2.826449 -3.958470 -2.287655 -2.826449 -3.804654 2.542991 2.906480 3.741254 2.893384 2.529116 1 3 -3 0.083779 -0.015763 3.561621 Rho 0.4361414E+07 3,-3 2 3 -3 0.083779 -0.015763 -3.561621 Rho 0.4361414E+07 3,-3 3 3 -3 -0.129094 3.629353 0.000000 Rho 0.4361415E+07 3,-3 4 3 -3 2.559616 -1.833942 1.866306 Rho 0.4361415E+07 3,-3 5 3 -3 2.578750 1.741509 -1.890632 Rho 0.4361415E+07 3,-3 6 3 -3 -2.604136 -1.997517 1.724167 Rho 0.4361414E+07 3,-3 7 3 -3 -2.604136 -1.997517 -1.724167 Rho 0.4361414E+07 3,-3 8 3 -3 2.578750 1.741509 1.890632 Rho 0.4361415E+07 3,-3 9 3 -3 2.559616 -1.833942 -1.866306 Rho 0.4361415E+07 3,-3 10 3 -3 -0.104919 -0.104334 0.000000 Rho 0.4276093E+05 3,-3 11 3 -3 -2.614970 1.881578 -1.718661 Rho 0.3882647E+07 3,-3 12 3 -3 -2.614970 1.881578 1.718661 Rho 0.3882647E+07 3,-3 13 3 -3 0.942582 -0.094249 1.371255 Rho 0.3190291E+03 3,-3 14 3 -3 -1.086264 -1.482194 0.000000 Rho 0.3190995E+03 3,-3 15 3 -3 0.942582 -0.094249 -1.371255 Rho 0.3190291E+03 3,-3 16 3 -3 -0.978260 1.377213 0.000000 Rho 0.3189906E+03 3,-3 17 3 -3 -2.992043 0.009190 1.632647 Rho 0.3188674E+03 3,-3 18 3 -3 3.050082 -1.565975 0.000000 Rho 0.3188084E+03 3,-3 19 3 -3 -2.992043 0.009190 -1.632647 Rho 0.3188674E+03 3,-3 20 3 -3 3.049263 1.717836 0.000000 Rho 0.3188439E+03 3,-3 21 3 -3 1.480055 -3.177525 -1.528936 Rho 0.3192899E+03 3,-3 22 3 -3 1.147976 2.928129 1.304305 Rho 0.3188632E+03 3,-3 23 3 -3 -1.145745 -1.331411 -2.961580 Rho 0.3188505E+03 3,-3 24 3 -3 -1.093478 1.326838 3.003905 Rho 0.3188876E+03 3,-3 25 3 -3 -1.093478 1.326838 -3.003905 Rho 0.3188876E+03 3,-3 26 3 -3 -1.145745 -1.331411 2.961580 Rho 0.3188505E+03 3,-3 27 3 -3 1.147976 2.928129 -1.304305 Rho 0.3188632E+03 3,-3 28 3 -3 1.480055 -3.177525 1.528936 Rho 0.3192899E+03 3,-3 29 3 -3 3.460049 0.118137 2.114101 Rho 0.3189956E+03 3,-3 30 3 -3 -3.525590 -2.176252 0.000000 Rho 0.3188644E+03 3,-3 31 3 -3 3.460049 0.118137 -2.114101 Rho 0.3189956E+03 3,-3 32 3 -3 -3.517582 2.280541 0.000000 Rho 0.3188498E+03 3,-3 33 3 -3 1.524832 1.368817 3.471130 Rho 0.3189097E+03 3,-3 34 3 -3 1.595021 -1.302562 -3.492426 Rho 0.3189005E+03 3,-3 35 3 -3 -1.454171 3.570649 1.356369 Rho 0.3189183E+03 3,-3 36 3 -3 -1.861777 -3.609647 -1.700658 Rho 0.3192114E+03 3,-3 37 3 -3 -1.861777 -3.609647 1.700658 Rho 0.3192114E+03 3,-3 38 3 -3 -1.454171 3.570649 -1.356369 Rho 0.3189183E+03 3,-3 39 3 -3 1.595021 -1.302562 3.492426 Rho 0.3189005E+03 3,-3 40 3 -3 1.524832 1.368817 -3.471130 Rho 0.3189097E+03 3,-3 41 3 -3 -0.169056 -0.039807 5.301351 Rho 0.3192236E+03 3,-3 42 3 -3 3.987706 -2.635483 -2.533627 Rho 0.3191805E+03 3,-3 43 3 -3 -0.169056 -0.039807 -5.301351 Rho 0.3192236E+03 3,-3 44 3 -3 0.295322 5.337290 0.000000 Rho 0.3192066E+03 3,-3 45 3 -3 3.987706 -2.635483 2.533627 Rho 0.3191805E+03 3,-3 46 3 -3 3.741254 2.893384 -2.529116 Rho 0.3192206E+03 3,-3 47 3 -3 -3.804654 2.542991 -2.906480 Rho 0.3190731E+03 3,-3 48 3 -3 -3.958470 -2.287655 2.826449 Rho 0.3191794E+03 3,-3 49 3 -3 -3.958470 -2.287655 -2.826449 Rho 0.3191794E+03 3,-3 50 3 -3 -3.804654 2.542991 2.906480 Rho 0.3190731E+03 3,-3 51 3 -3 3.741254 2.893384 2.529116 Rho 0.3192206E+03 3,-3 52 3 +3 -2.341730 -0.018715 -0.000000 Rho 0.5109924E-02 |GRAD(Rho)| 0.3978553E-17 GRAD(Rho)x -0.8851749E-18 GRAD(Rho)y 0.3875800E-17 GRAD(Rho)z 0.1533584E-18 Laplacian 0.2027753E-01 (-1/4)Del**2(Rho)) -0.5069383E-02 Diamond 0.2032364E-03 Metallicity 0.5151759E+00 Ellipticity -0.4754798E+00 Gb(Abramov) 0.3814859E-02 Vb(Abramov) -0.2560336E-02 Hb(Abramov) 0.1254524E-02 Ex_ueg -0.6500364E-03 Ec_ueg -0.1516464E-03 Delta_ex -0.7565503E-03 Delta_ec 0.1816838E-03 Delta_et -0.1177406E-02 Pxc 0.4286528E+01 Qxc -0.4164104E+01 3,+3 53 3 +1 -1.675818 -0.010476 -0.770713 Rho 0.9828011E-02 |GRAD(Rho)| 0.2403531E-16 GRAD(Rho)x -0.2326654E-16 GRAD(Rho)y -0.1318526E-17 GRAD(Rho)z -0.5884351E-17 Laplacian 0.3607093E-01 (-1/4)Del**2(Rho)) -0.9017733E-02 Diamond 0.1188801E-02 Metallicity 0.8614535E+00 Ellipticity -0.1634894E+01 Gb(Abramov) 0.7306548E-02 Vb(Abramov) -0.5595364E-02 Hb(Abramov) 0.1711185E-02 Ex_ueg -0.1554793E-02 Ec_ueg -0.3602543E-03 Delta_ex -0.1716420E-02 Delta_ec 0.5282551E-03 Delta_et -0.3720039E-02 Pxc 0.4315820E+01 Qxc -0.3249226E+01 3,+1 54 3 -1 -1.809115 -1.696355 -0.845570 Rho 0.5112631E-01 |GRAD(Rho)| 0.1334199E-08 GRAD(Rho)x 0.8656955E-09 GRAD(Rho)y 0.3314601E-09 GRAD(Rho)z 0.9595788E-09 Laplacian 0.2034891E+00 (-1/4)Del**2(Rho)) -0.5087227E-01 Diamond 0.1077594E+00 Metallicity 0.2384951E+01 Ellipticity 0.1634598E-01 Gb(Abramov) 0.5413616E-01 Vb(Abramov) -0.5740005E-01 Hb(Abramov) -0.3263891E-02 Ex_ueg -0.1401450E-01 Ec_ueg -0.2477226E-02 Delta_ex -0.1690396E-01 Delta_ec 0.6169243E-02 Delta_et -0.6546478E-01 Pxc 0.5657336E+01 Qxc -0.2740038E+01 3,-1 55 3 -1 -1.809115 -1.696355 0.845570 Rho 0.5112631E-01 |GRAD(Rho)| 0.1334199E-08 GRAD(Rho)x 0.8656957E-09 GRAD(Rho)y 0.3314602E-09 GRAD(Rho)z -0.9595790E-09 Laplacian 0.2034891E+00 (-1/4)Del**2(Rho)) -0.5087227E-01 Diamond 0.1077594E+00 Metallicity 0.2384951E+01 Ellipticity 0.1634598E-01 Gb(Abramov) 0.5413616E-01 Vb(Abramov) -0.5740005E-01 Hb(Abramov) -0.3263891E-02 Ex_ueg -0.1401450E-01 Ec_ueg -0.2477226E-02 Delta_ex -0.1690396E-01 Delta_ec 0.6169243E-02 Delta_et -0.6546478E-01 Pxc 0.5657336E+01 Qxc -0.2740038E+01 3,-1 56 3 +1 -1.675818 -0.010476 0.770713 Rho 0.9828011E-02 |GRAD(Rho)| 0.1648018E-16 GRAD(Rho)x 0.2637158E-17 GRAD(Rho)y 0.1387035E-17 GRAD(Rho)z -0.1620857E-16 Laplacian 0.3607093E-01 (-1/4)Del**2(Rho)) -0.9017733E-02 Diamond 0.1188801E-02 Metallicity 0.8614535E+00 Ellipticity -0.1634894E+01 Gb(Abramov) 0.7306548E-02 Vb(Abramov) -0.5595364E-02 Hb(Abramov) 0.1711185E-02 Ex_ueg -0.1554793E-02 Ec_ueg -0.3602543E-03 Delta_ex -0.1716420E-02 Delta_ec 0.5282551E-03 Delta_et -0.3720039E-02 Pxc 0.4315820E+01 Qxc -0.3249226E+01 3,+1 57 3 +1 -2.927186 -0.369528 0.000000 Rho 0.5570473E-02 |GRAD(Rho)| 0.4064765E-15 GRAD(Rho)x 0.3880195E-15 GRAD(Rho)y -0.1210939E-15 GRAD(Rho)z 0.5496854E-18 Laplacian 0.2238817E-01 (-1/4)Del**2(Rho)) -0.5597042E-02 Diamond 0.4426407E-03 Metallicity 0.5387841E+00 Ellipticity -0.1511799E+01 Gb(Abramov) 0.4233961E-02 Vb(Abramov) -0.2870880E-02 Hb(Abramov) 0.1363081E-02 Ex_ueg -0.7293027E-03 Ec_ueg -0.1715446E-03 Delta_ex -0.1007238E-02 Delta_ec 0.4737425E-03 Delta_et -0.2749808E-02 Pxc 0.4251389E+01 Qxc -0.2126130E+01 3,+1 58 3 -1 -2.914975 0.166833 0.000000 Rho 0.5918156E-02 |GRAD(Rho)| 0.1103651E-14 GRAD(Rho)x -0.1094400E-15 GRAD(Rho)y -0.1098210E-14 GRAD(Rho)z -0.1561102E-17 Laplacian 0.2235328E-01 (-1/4)Del**2(Rho)) -0.5588320E-02 Diamond 0.6750665E-03 Metallicity 0.5969198E+00 Ellipticity 0.4268867E+01 Gb(Abramov) 0.4281509E-02 Vb(Abramov) -0.2974699E-02 Hb(Abramov) 0.1306810E-02 Ex_ueg -0.7906184E-03 Ec_ueg -0.1866363E-03 Delta_ex -0.1164257E-02 Delta_ec 0.7318384E-03 Delta_et -0.4169485E-02 Pxc 0.4236145E+01 Qxc -0.1590866E+01 3,-1 59 3 +1 -2.907429 0.271639 -0.000000 Rho 0.5914214E-02 |GRAD(Rho)| 0.1740876E-15 GRAD(Rho)x 0.3836783E-16 GRAD(Rho)y 0.1698057E-15 GRAD(Rho)z 0.6691491E-18 Laplacian 0.2245553E-01 (-1/4)Del**2(Rho)) -0.5613881E-02 Diamond 0.6056890E-03 Metallicity 0.5935422E+00 Ellipticity -0.5095687E+01 Gb(Abramov) 0.4297934E-02 Vb(Abramov) -0.2981986E-02 Hb(Abramov) 0.1315948E-02 Ex_ueg -0.7899163E-03 Ec_ueg -0.1864648E-03 Delta_ex -0.1116091E-02 Delta_ec 0.6399531E-03 Delta_et -0.3681468E-02 Pxc 0.4236275E+01 Qxc -0.1744019E+01 3,+1 60 3 +1 -2.004667 2.851222 0.000000 Rho 0.1163097E-01 |GRAD(Rho)| 0.8651345E-17 GRAD(Rho)x 0.8447516E-17 GRAD(Rho)y 0.1926543E-18 GRAD(Rho)z 0.1856913E-17 Laplacian 0.4862340E-01 (-1/4)Del**2(Rho)) -0.1215585E-01 Diamond 0.1244978E-02 Metallicity 0.8461768E+00 Ellipticity -0.1040697E+01 Gb(Abramov) 0.9818232E-02 Vb(Abramov) -0.7480616E-02 Hb(Abramov) 0.2337617E-02 Ex_ueg -0.1946285E-02 Ec_ueg -0.4425602E-03 Delta_ex -0.2183173E-02 Delta_ec 0.2967337E-03 Delta_et -0.2469223E-02 Pxc 0.4397785E+01 Qxc -0.7357346E+01 3,+1 61 3 -1 -3.253637 2.236841 -2.355687 Rho 0.2034811E+00 |GRAD(Rho)| 0.4518491E-15 GRAD(Rho)x -0.3216286E-15 GRAD(Rho)y 0.2684756E-15 GRAD(Rho)z -0.1692440E-15 Laplacian 0.7708266E+00 (-1/4)Del**2(Rho)) -0.1927066E+00 Diamond 0.2234753E+01 Metallicity 0.6293080E+01 Ellipticity 0.3464988E-02 Gb(Abramov) 0.3305908E+00 Vb(Abramov) -0.4684750E+00 Hb(Abramov) -0.1378842E+00 Ex_ueg -0.8839285E-01 Ec_ueg -0.1195131E-01 Delta_ex -0.8923514E-01 Delta_ec 0.1784488E-01 Delta_et -0.2449227E+00 Pxc 0.7396081E+01 Qxc -0.5000603E+01 3,-1 62 3 -1 -3.082325 2.088101 -0.801823 Rho 0.1284467E+00 |GRAD(Rho)| 0.7364401E-14 GRAD(Rho)x 0.2830716E-15 GRAD(Rho)y -0.5060378E-15 GRAD(Rho)z -0.7341539E-14 Laplacian 0.5190641E+00 (-1/4)Del**2(Rho)) -0.1297660E+00 Diamond 0.8923232E+00 Metallicity 0.4341075E+01 Ellipticity 0.1213696E-01 Gb(Abramov) 0.1803980E+00 Vb(Abramov) -0.2310300E+00 Hb(Abramov) -0.5063200E-01 Ex_ueg -0.4786475E-01 Ec_ueg -0.7078428E-02 Delta_ex -0.5391452E-01 Delta_ec 0.1409766E-01 Delta_et -0.1840688E+00 Pxc 0.6762060E+01 Qxc -0.3824360E+01 3,-1 63 3 -1 -3.082325 2.088101 0.801823 Rho 0.1284467E+00 |GRAD(Rho)| 0.2558124E-14 GRAD(Rho)x -0.2280131E-14 GRAD(Rho)y 0.7292005E-15 GRAD(Rho)z 0.9018123E-15 Laplacian 0.5190641E+00 (-1/4)Del**2(Rho)) -0.1297660E+00 Diamond 0.8923232E+00 Metallicity 0.4341075E+01 Ellipticity 0.1213696E-01 Gb(Abramov) 0.1803980E+00 Vb(Abramov) -0.2310300E+00 Hb(Abramov) -0.5063200E-01 Ex_ueg -0.4786475E-01 Ec_ueg -0.7078428E-02 Delta_ex -0.5391452E-01 Delta_ec 0.1409766E-01 Delta_et -0.1840688E+00 Pxc 0.6762060E+01 Qxc -0.3824360E+01 3,-1 64 3 -1 -3.253637 2.236841 2.355687 Rho 0.2034811E+00 |GRAD(Rho)| 0.2927211E-15 GRAD(Rho)x 0.9963818E-16 GRAD(Rho)y 0.2691532E-15 GRAD(Rho)z -0.5757114E-16 Laplacian 0.7708266E+00 (-1/4)Del**2(Rho)) -0.1927066E+00 Diamond 0.2234753E+01 Metallicity 0.6293080E+01 Ellipticity 0.3464988E-02 Gb(Abramov) 0.3305908E+00 Vb(Abramov) -0.4684750E+00 Hb(Abramov) -0.1378842E+00 Ex_ueg -0.8839285E-01 Ec_ueg -0.1195131E-01 Delta_ex -0.8923514E-01 Delta_ec 0.1784488E-01 Delta_et -0.2449227E+00 Pxc 0.7396081E+01 Qxc -0.5000603E+01 3,-1 65 3 +3 -1.979373 2.809855 0.000000 Rho 0.1162969E-01 |GRAD(Rho)| 0.9969687E-17 GRAD(Rho)x 0.4499099E-17 GRAD(Rho)y -0.1179272E-17 GRAD(Rho)z 0.8818281E-17 Laplacian 0.4840487E-01 (-1/4)Del**2(Rho)) -0.1210122E-01 Diamond 0.1144897E-02 Metallicity 0.8498409E+00 Ellipticity -0.9541982E+00 Gb(Abramov) 0.9781497E-02 Vb(Abramov) -0.7461776E-02 Hb(Abramov) 0.2319721E-02 Ex_ueg -0.1945999E-02 Ec_ueg -0.4425013E-03 Delta_ex -0.2144880E-02 Delta_ec 0.2446721E-03 Delta_et -0.2120237E-02 Pxc 0.4397725E+01 Qxc -0.8766347E+01 3,+3 66 3 -1 -3.334869 -2.153717 -2.317729 Rho 0.2238107E+00 |GRAD(Rho)| 0.6890823E-14 GRAD(Rho)x 0.5383281E-14 GRAD(Rho)y 0.9987535E-15 GRAD(Rho)z 0.4184045E-14 Laplacian 0.8302744E+00 (-1/4)Del**2(Rho)) -0.2075686E+00 Diamond 0.2704878E+01 Metallicity 0.6847410E+01 Ellipticity 0.2562581E-01 Gb(Abramov) 0.3752636E+00 Vb(Abramov) -0.5429587E+00 Hb(Abramov) -0.1676950E+00 Ex_ueg -0.1003598E+00 Ec_ueg -0.1332718E-01 Delta_ex -0.9853791E-01 Delta_ec 0.1877232E-01 Delta_et -0.2594608E+00 Pxc 0.7530458E+01 Qxc -0.5249106E+01 3,-1 67 3 -1 -3.075673 -2.085715 -0.801607 Rho 0.1360420E+00 |GRAD(Rho)| 0.1434423E-13 GRAD(Rho)x 0.5470633E-14 GRAD(Rho)y 0.7564123E-15 GRAD(Rho)z -0.1323846E-13 Laplacian 0.5181085E+00 (-1/4)Del**2(Rho)) -0.1295271E+00 Diamond 0.9450531E+00 Metallicity 0.4786089E+01 Ellipticity 0.4764503E-01 Gb(Abramov) 0.1896728E+00 Vb(Abramov) -0.2498185E+00 Hb(Abramov) -0.6014569E-01 Ex_ueg -0.5167523E-01 Ec_ueg -0.7556080E-02 Delta_ex -0.5445719E-01 Delta_ec 0.1369370E-01 Delta_et -0.1801451E+00 Pxc 0.6838894E+01 Qxc -0.3976807E+01 3,-1 68 3 -1 -3.075673 -2.085715 0.801607 Rho 0.1360420E+00 |GRAD(Rho)| 0.4351614E-15 GRAD(Rho)x 0.5894672E-16 GRAD(Rho)y -0.3299363E-16 GRAD(Rho)z -0.4298862E-15 Laplacian 0.5181085E+00 (-1/4)Del**2(Rho)) -0.1295271E+00 Diamond 0.9450531E+00 Metallicity 0.4786089E+01 Ellipticity 0.4764503E-01 Gb(Abramov) 0.1896728E+00 Vb(Abramov) -0.2498185E+00 Hb(Abramov) -0.6014569E-01 Ex_ueg -0.5167523E-01 Ec_ueg -0.7556080E-02 Delta_ex -0.5445719E-01 Delta_ec 0.1369370E-01 Delta_et -0.1801451E+00 Pxc 0.6838894E+01 Qxc -0.3976807E+01 3,-1 69 3 -1 -3.334869 -2.153717 2.317729 Rho 0.2238107E+00 |GRAD(Rho)| 0.8735354E-16 GRAD(Rho)x 0.5252960E-16 GRAD(Rho)y 0.6834539E-16 GRAD(Rho)z -0.1414884E-16 Laplacian 0.8302744E+00 (-1/4)Del**2(Rho)) -0.2075686E+00 Diamond 0.2704878E+01 Metallicity 0.6847410E+01 Ellipticity 0.2562581E-01 Gb(Abramov) 0.3752636E+00 Vb(Abramov) -0.5429587E+00 Hb(Abramov) -0.1676950E+00 Ex_ueg -0.1003598E+00 Ec_ueg -0.1332718E-01 Delta_ex -0.9853791E-01 Delta_ec 0.1877232E-01 Delta_et -0.2594608E+00 Pxc 0.7530458E+01 Qxc -0.5249106E+01 3,-1 70 3 -1 -2.796942 -0.933323 -1.673161 Rho 0.1085106E+00 |GRAD(Rho)| 0.1201202E-12 GRAD(Rho)x -0.2278844E-13 GRAD(Rho)y 0.1178092E-12 GRAD(Rho)z 0.5527638E-14 Laplacian 0.4643793E+00 (-1/4)Del**2(Rho)) -0.1160948E+00 Diamond 0.6340642E+00 Metallicity 0.3663200E+01 Ellipticity 0.3940764E-02 Gb(Abramov) 0.1482763E+00 Vb(Abramov) -0.1804578E+00 Hb(Abramov) -0.3218149E-01 Ex_ueg -0.3822505E-01 Ec_ueg -0.5843417E-02 Delta_ex -0.4607882E-01 Delta_ec 0.1262600E-01 Delta_et -0.1592126E+00 Pxc 0.6541557E+01 Qxc -0.3649518E+01 3,-1 71 3 -1 -2.796942 -0.933323 1.673161 Rho 0.1085106E+00 |GRAD(Rho)| 0.1200767E-12 GRAD(Rho)x -0.2276805E-13 GRAD(Rho)y 0.1177693E-12 GRAD(Rho)z -0.5514414E-14 Laplacian 0.4643793E+00 (-1/4)Del**2(Rho)) -0.1160948E+00 Diamond 0.6340642E+00 Metallicity 0.3663200E+01 Ellipticity 0.3940764E-02 Gb(Abramov) 0.1482763E+00 Vb(Abramov) -0.1804578E+00 Hb(Abramov) -0.3218149E-01 Ex_ueg -0.3822505E-01 Ec_ueg -0.5843417E-02 Delta_ex -0.4607882E-01 Delta_ec 0.1262600E-01 Delta_et -0.1592126E+00 Pxc 0.6541557E+01 Qxc -0.3649518E+01 3,-1 72 3 +1 -0.571307 0.780608 1.563233 Rho 0.8375880E-02 |GRAD(Rho)| 0.1717111E-12 GRAD(Rho)x -0.1554249E-12 GRAD(Rho)y -0.7001183E-13 GRAD(Rho)z -0.2064339E-13 Laplacian 0.3186711E-01 (-1/4)Del**2(Rho)) -0.7966777E-02 Diamond 0.8065378E-03 Metallicity 0.7470012E+00 Ellipticity -0.1438208E+01 Gb(Abramov) 0.6303050E-02 Vb(Abramov) -0.4639323E-02 Hb(Abramov) 0.1663727E-02 Ex_ueg -0.1256297E-02 Ec_ueg -0.2949636E-03 Delta_ex -0.1438599E-02 Delta_ec 0.4349830E-03 Delta_et -0.2963960E-02 Pxc 0.4259160E+01 Qxc -0.3307254E+01 3,+1 73 3 +1 -2.223862 1.783845 -0.000000 Rho 0.2421031E-01 |GRAD(Rho)| 0.4823483E-13 GRAD(Rho)x -0.3812106E-13 GRAD(Rho)y -0.2955306E-13 GRAD(Rho)z -0.4330309E-17 Laplacian 0.8707957E-01 (-1/4)Del**2(Rho)) -0.2176989E-01 Diamond 0.1127900E-01 Metallicity 0.1603359E+01 Ellipticity -0.8977502E+01 Gb(Abramov) 0.2033075E-01 Vb(Abramov) -0.1889161E-01 Hb(Abramov) 0.1439139E-02 Ex_ueg -0.5172718E-02 Ec_ueg -0.1049037E-02 Delta_ex -0.5413015E-02 Delta_ec 0.1555021E-02 Delta_et -0.1359918E-01 Pxc 0.4930920E+01 Qxc -0.3480992E+01 3,+1 74 3 +1 2.191563 -0.210011 -1.723901 Rho 0.2391367E-01 |GRAD(Rho)| 0.7065779E-15 GRAD(Rho)x 0.4408668E-15 GRAD(Rho)y -0.5210571E-15 GRAD(Rho)z -0.1827246E-15 Laplacian 0.9177009E-01 (-1/4)Del**2(Rho)) -0.2294252E-01 Diamond 0.1108077E-01 Metallicity 0.1490467E+01 Ellipticity -0.3291624E+01 Gb(Abramov) 0.2099419E-01 Vb(Abramov) -0.1904586E-01 Hb(Abramov) 0.1948330E-02 Ex_ueg -0.5088385E-02 Ec_ueg -0.1034176E-02 Delta_ex -0.5616197E-02 Delta_ec 0.1514102E-02 Delta_et -0.1323164E-01 Pxc 0.4920231E+01 Qxc -0.3709260E+01 3,+1 75 3 +1 -0.234075 -2.691567 -1.192751 Rho 0.2595814E-02 |GRAD(Rho)| 0.1469923E-11 GRAD(Rho)x 0.6582477E-12 GRAD(Rho)y -0.9316379E-12 GRAD(Rho)z -0.9270575E-12 Laplacian 0.1009787E-01 (-1/4)Del**2(Rho)) -0.2524467E-02 Diamond 0.7616920E-04 Metallicity 0.3345846E+00 Ellipticity -0.1336292E+01 Gb(Abramov) 0.1823753E-02 Vb(Abramov) -0.1123038E-02 Hb(Abramov) 0.7007145E-03 Ex_ueg -0.2634813E-03 Ec_ueg -0.4496495E-04 Delta_ex -0.3972748E-03 Delta_ec 0.2323671E-03 Delta_et -0.1070512E-02 Pxc 0.5859703E+01 Qxc -0.1709686E+01 3,+1 76 3 -1 -2.199569 -2.863783 -1.710839 Rho 0.2203367E+00 |GRAD(Rho)| 0.1067618E-14 GRAD(Rho)x -0.2298509E-16 GRAD(Rho)y 0.1052977E-14 GRAD(Rho)z 0.1746989E-15 Laplacian 0.8750158E+00 (-1/4)Del**2(Rho)) -0.2187539E+00 Diamond 0.2740430E+01 Metallicity 0.6330072E+01 Ellipticity 0.1611965E-01 Gb(Abramov) 0.3766240E+00 Vb(Abramov) -0.5344941E+00 Hb(Abramov) -0.1578701E+00 Ex_ueg -0.9828808E-01 Ec_ueg -0.1309045E-01 Delta_ex -0.1030880E+00 Delta_ec 0.1926474E-01 Delta_et -0.2636385E+00 Pxc 0.7508382E+01 Qxc -0.5351122E+01 3,-1 77 3 -1 -2.199569 -2.863783 1.710839 Rho 0.2203367E+00 |GRAD(Rho)| 0.7403119E-13 GRAD(Rho)x 0.6430831E-13 GRAD(Rho)y -0.9687672E-14 GRAD(Rho)z -0.3537241E-13 Laplacian 0.8750158E+00 (-1/4)Del**2(Rho)) -0.2187539E+00 Diamond 0.2740430E+01 Metallicity 0.6330072E+01 Ellipticity 0.1611965E-01 Gb(Abramov) 0.3766240E+00 Vb(Abramov) -0.5344941E+00 Hb(Abramov) -0.1578701E+00 Ex_ueg -0.9828808E-01 Ec_ueg -0.1309045E-01 Delta_ex -0.1030880E+00 Delta_ec 0.1926474E-01 Delta_et -0.2636385E+00 Pxc 0.7508382E+01 Qxc -0.5351122E+01 3,-1 78 3 -1 -2.804479 0.881153 -1.671340 Rho 0.1506329E+00 |GRAD(Rho)| 0.9525088E-09 GRAD(Rho)x -0.1769249E-09 GRAD(Rho)y -0.9348941E-09 GRAD(Rho)z 0.4408585E-10 Laplacian 0.6295211E+00 (-1/4)Del**2(Rho)) -0.1573803E+00 Diamond 0.1302699E+01 Metallicity 0.4668055E+01 Ellipticity 0.1516296E-01 Gb(Abramov) 0.2273635E+00 Vb(Abramov) -0.2973466E+00 Hb(Abramov) -0.6998319E-01 Ex_ueg -0.5919406E-01 Ec_ueg -0.8484041E-02 Delta_ex -0.6787779E-01 Delta_ec 0.1631837E-01 Delta_et -0.2181984E+00 Pxc 0.6977107E+01 Qxc -0.4159593E+01 3,-1 79 3 -1 -2.804479 0.881153 1.671340 Rho 0.1506329E+00 |GRAD(Rho)| 0.9525416E-09 GRAD(Rho)x -0.1769297E-09 GRAD(Rho)y -0.9349265E-09 GRAD(Rho)z -0.4408881E-10 Laplacian 0.6295211E+00 (-1/4)Del**2(Rho)) -0.1573803E+00 Diamond 0.1302699E+01 Metallicity 0.4668055E+01 Ellipticity 0.1516296E-01 Gb(Abramov) 0.2273635E+00 Vb(Abramov) -0.2973466E+00 Hb(Abramov) -0.6998319E-01 Ex_ueg -0.5919406E-01 Ec_ueg -0.8484041E-02 Delta_ex -0.6787779E-01 Delta_ec 0.1631837E-01 Delta_et -0.2181984E+00 Pxc 0.6977107E+01 Qxc -0.4159593E+01 3,-1 80 3 +1 -0.571307 0.780608 -1.563233 Rho 0.8375880E-02 |GRAD(Rho)| 0.1272369E-16 GRAD(Rho)x 0.9923051E-17 GRAD(Rho)y -0.1290207E-17 GRAD(Rho)z 0.7858798E-17 Laplacian 0.3186711E-01 (-1/4)Del**2(Rho)) -0.7966777E-02 Diamond 0.8065378E-03 Metallicity 0.7470012E+00 Ellipticity -0.1438208E+01 Gb(Abramov) 0.6303050E-02 Vb(Abramov) -0.4639323E-02 Hb(Abramov) 0.1663727E-02 Ex_ueg -0.1256297E-02 Ec_ueg -0.2949636E-03 Delta_ex -0.1438599E-02 Delta_ec 0.4349830E-03 Delta_et -0.2963960E-02 Pxc 0.4259160E+01 Qxc -0.3307254E+01 3,+1 81 3 +1 -1.733540 0.004901 -2.495445 Rho 0.1176499E-01 |GRAD(Rho)| 0.3370470E-14 GRAD(Rho)x -0.1926292E-14 GRAD(Rho)y -0.2764843E-14 GRAD(Rho)z 0.7150651E-16 Laplacian 0.5612072E-01 (-1/4)Del**2(Rho)) -0.1403018E-01 Diamond 0.2122922E-02 Metallicity 0.7472674E+00 Ellipticity -0.1273143E+01 Gb(Abramov) 0.1110084E-01 Vb(Abramov) -0.8171492E-02 Hb(Abramov) 0.2929344E-02 Ex_ueg -0.1976244E-02 Ec_ueg -0.4487311E-03 Delta_ex -0.2724751E-02 Delta_ec 0.6936547E-03 Delta_et -0.5203145E-02 Pxc 0.4404072E+01 Qxc -0.3928108E+01 3,+1 82 3 +1 -0.234075 -2.691567 1.192751 Rho 0.2595814E-02 |GRAD(Rho)| 0.2613470E-17 GRAD(Rho)x -0.1592348E-18 GRAD(Rho)y 0.2554727E-17 GRAD(Rho)z 0.5274844E-18 Laplacian 0.1009787E-01 (-1/4)Del**2(Rho)) -0.2524467E-02 Diamond 0.7616920E-04 Metallicity 0.3345846E+00 Ellipticity -0.1336292E+01 Gb(Abramov) 0.1823753E-02 Vb(Abramov) -0.1123038E-02 Hb(Abramov) 0.7007145E-03 Ex_ueg -0.2634813E-03 Ec_ueg -0.4496495E-04 Delta_ex -0.3972748E-03 Delta_ec 0.2323671E-03 Delta_et -0.1070512E-02 Pxc 0.5859703E+01 Qxc -0.1709686E+01 3,+1 83 3 +1 -1.733540 0.004901 2.495445 Rho 0.1176499E-01 |GRAD(Rho)| 0.3371691E-14 GRAD(Rho)x -0.1942128E-14 GRAD(Rho)y -0.2755082E-14 GRAD(Rho)z -0.7720887E-16 Laplacian 0.5612072E-01 (-1/4)Del**2(Rho)) -0.1403018E-01 Diamond 0.2122922E-02 Metallicity 0.7472674E+00 Ellipticity -0.1273143E+01 Gb(Abramov) 0.1110084E-01 Vb(Abramov) -0.8171492E-02 Hb(Abramov) 0.2929344E-02 Ex_ueg -0.1976244E-02 Ec_ueg -0.4487311E-03 Delta_ex -0.2724751E-02 Delta_ec 0.6936547E-03 Delta_et -0.5203145E-02 Pxc 0.4404072E+01 Qxc -0.3928108E+01 3,+1 84 3 -1 -1.832491 -1.633149 -2.366550 Rho 0.1128610E+00 |GRAD(Rho)| 0.9473416E-14 GRAD(Rho)x -0.7048825E-14 GRAD(Rho)y -0.3640703E-14 GRAD(Rho)z 0.5177350E-14 Laplacian 0.4603173E+00 (-1/4)Del**2(Rho)) -0.1150793E+00 Diamond 0.6675271E+00 Metallicity 0.3945743E+01 Ellipticity 0.1331283E-01 Gb(Abramov) 0.1523985E+00 Vb(Abramov) -0.1897176E+00 Hb(Abramov) -0.3731913E-01 Ex_ueg -0.4028191E-01 Ec_ueg -0.6110502E-02 Delta_ex -0.4622656E-01 Delta_ec 0.1262581E-01 Delta_et -0.1607011E+00 Pxc 0.6592242E+01 Qxc -0.3661275E+01 3,-1 85 3 +1 -0.195451 -2.636525 -1.947269 Rho 0.2629560E-02 |GRAD(Rho)| 0.4546893E-16 GRAD(Rho)x -0.2061651E-16 GRAD(Rho)y -0.3350748E-16 GRAD(Rho)z 0.2279542E-16 Laplacian 0.1013847E-01 (-1/4)Del**2(Rho)) -0.2534618E-02 Diamond 0.8428760E-04 Metallicity 0.3404965E+00 Ellipticity -0.1441592E+01 Gb(Abramov) 0.1833583E-02 Vb(Abramov) -0.1132549E-02 Hb(Abramov) 0.7010345E-03 Ex_ueg -0.2680583E-03 Ec_ueg -0.4637434E-04 Delta_ex -0.4140412E-03 Delta_ec 0.2585909E-03 Delta_et -0.1181528E-02 Pxc 0.5780316E+01 Qxc -0.1601144E+01 3,+1 86 3 +1 -2.281477 -1.806775 -0.000000 Rho 0.2954848E-01 |GRAD(Rho)| 0.8485678E-16 GRAD(Rho)x -0.8332723E-16 GRAD(Rho)y -0.1292175E-16 GRAD(Rho)z -0.9501292E-17 Laplacian 0.1230310E+00 (-1/4)Del**2(Rho)) -0.3075776E-01 Diamond 0.2216972E-01 Metallicity 0.1581820E+01 Ellipticity -0.8180063E+01 Gb(Abramov) 0.2861405E-01 Vb(Abramov) -0.2647033E-01 Hb(Abramov) 0.2143712E-02 Ex_ueg -0.6746812E-02 Ec_ueg -0.1320341E-02 Delta_ex -0.8169318E-02 Delta_ec 0.2384448E-02 Delta_et -0.2188319E-01 Pxc 0.5109902E+01 Qxc -0.3426084E+01 3,+1 87 3 +1 -0.195451 -2.636525 1.947269 Rho 0.2629560E-02 |GRAD(Rho)| 0.4491186E-16 GRAD(Rho)x -0.1256459E-16 GRAD(Rho)y -0.3527303E-16 GRAD(Rho)z -0.2479959E-16 Laplacian 0.1013847E-01 (-1/4)Del**2(Rho)) -0.2534618E-02 Diamond 0.8428760E-04 Metallicity 0.3404965E+00 Ellipticity -0.1441592E+01 Gb(Abramov) 0.1833583E-02 Vb(Abramov) -0.1132549E-02 Hb(Abramov) 0.7010345E-03 Ex_ueg -0.2680583E-03 Ec_ueg -0.4637434E-04 Delta_ex -0.4140412E-03 Delta_ec 0.2585909E-03 Delta_et -0.1181528E-02 Pxc 0.5780316E+01 Qxc -0.1601144E+01 3,+1 88 3 -1 -1.832491 -1.633149 2.366550 Rho 0.1128610E+00 |GRAD(Rho)| 0.8817683E-14 GRAD(Rho)x -0.6556286E-14 GRAD(Rho)y -0.3415969E-14 GRAD(Rho)z -0.4806018E-14 Laplacian 0.4603173E+00 (-1/4)Del**2(Rho)) -0.1150793E+00 Diamond 0.6675271E+00 Metallicity 0.3945743E+01 Ellipticity 0.1331283E-01 Gb(Abramov) 0.1523985E+00 Vb(Abramov) -0.1897176E+00 Hb(Abramov) -0.3731913E-01 Ex_ueg -0.4028191E-01 Ec_ueg -0.6110502E-02 Delta_ex -0.4622656E-01 Delta_ec 0.1262581E-01 Delta_et -0.1607011E+00 Pxc 0.6592242E+01 Qxc -0.3661275E+01 3,-1 89 3 +1 -0.627543 -0.858236 -1.538007 Rho 0.9063742E-02 |GRAD(Rho)| 0.2637978E-14 GRAD(Rho)x 0.1542060E-14 GRAD(Rho)y 0.3310855E-15 GRAD(Rho)z 0.2114559E-14 Laplacian 0.3489042E-01 (-1/4)Del**2(Rho)) -0.8722604E-02 Diamond 0.1026428E-02 Metallicity 0.7781910E+00 Ellipticity -0.1512651E+01 Gb(Abramov) 0.6946378E-02 Vb(Abramov) -0.5170152E-02 Hb(Abramov) 0.1776226E-02 Ex_ueg -0.1395710E-02 Ec_ueg -0.3257766E-03 Delta_ex -0.1625148E-02 Delta_ec 0.5085207E-03 Delta_et -0.3508864E-02 Pxc 0.4284253E+01 Qxc -0.3195834E+01 3,+1 90 3 +1 -0.627543 -0.858236 1.538007 Rho 0.9063742E-02 |GRAD(Rho)| 0.2632909E-14 GRAD(Rho)x 0.1534242E-14 GRAD(Rho)y 0.3219131E-15 GRAD(Rho)z -0.2115345E-14 Laplacian 0.3489042E-01 (-1/4)Del**2(Rho)) -0.8722604E-02 Diamond 0.1026428E-02 Metallicity 0.7781910E+00 Ellipticity -0.1512651E+01 Gb(Abramov) 0.6946378E-02 Vb(Abramov) -0.5170152E-02 Hb(Abramov) 0.1776226E-02 Ex_ueg -0.1395710E-02 Ec_ueg -0.3257766E-03 Delta_ex -0.1625148E-02 Delta_ec 0.5085207E-03 Delta_et -0.3508864E-02 Pxc 0.4284253E+01 Qxc -0.3195834E+01 3,+1 91 3 -1 -1.809721 1.582645 2.390864 Rho 0.9971148E-01 |GRAD(Rho)| 0.7997963E-13 GRAD(Rho)x -0.4913585E-13 GRAD(Rho)y -0.5281542E-13 GRAD(Rho)z -0.3453898E-13 Laplacian 0.4339345E+00 (-1/4)Del**2(Rho)) -0.1084836E+00 Diamond 0.5613584E+00 Metallicity 0.3404847E+01 Ellipticity 0.1501877E-01 Gb(Abramov) 0.1338841E+00 Vb(Abramov) -0.1592846E+00 Hb(Abramov) -0.2540049E-01 Ex_ueg -0.3414905E-01 Ec_ueg -0.5307578E-02 Delta_ex -0.4266386E-01 Delta_ec 0.1282966E-01 Delta_et -0.1601566E+00 Pxc 0.6434017E+01 Qxc -0.3325410E+01 3,-1 92 3 -1 -1.809721 1.582645 -2.390864 Rho 0.9971148E-01 |GRAD(Rho)| 0.1013489E-09 GRAD(Rho)x -0.7489721E-10 GRAD(Rho)y 0.2784300E-10 GRAD(Rho)z 0.6234404E-10 Laplacian 0.4339345E+00 (-1/4)Del**2(Rho)) -0.1084836E+00 Diamond 0.5613584E+00 Metallicity 0.3404847E+01 Ellipticity 0.1501877E-01 Gb(Abramov) 0.1338841E+00 Vb(Abramov) -0.1592846E+00 Hb(Abramov) -0.2540049E-01 Ex_ueg -0.3414905E-01 Ec_ueg -0.5307578E-02 Delta_ex -0.4266386E-01 Delta_ec 0.1282966E-01 Delta_et -0.1601566E+00 Pxc 0.6434017E+01 Qxc -0.3325410E+01 3,-1 93 3 -1 -1.761069 1.593936 -0.840251 Rho 0.4271282E-01 |GRAD(Rho)| 0.1736663E-15 GRAD(Rho)x 0.9964623E-16 GRAD(Rho)y -0.3236915E-16 GRAD(Rho)z 0.1385022E-15 Laplacian 0.1814127E+00 (-1/4)Del**2(Rho)) -0.4535317E-01 Diamond 0.7953874E-01 Metallicity 0.1982482E+01 Ellipticity 0.1451326E-01 Gb(Abramov) 0.4522075E-01 Vb(Abramov) -0.4508834E-01 Hb(Abramov) 0.1324128E-03 Ex_ueg -0.1102714E-01 Ec_ueg -0.2016213E-02 Delta_ex -0.1463715E-01 Delta_ec 0.5915063E-02 Delta_et -0.5991101E-01 Pxc 0.5469232E+01 Qxc -0.2474556E+01 3,-1 94 3 -1 -1.761069 1.593936 0.840251 Rho 0.4271282E-01 |GRAD(Rho)| 0.2095129E-13 GRAD(Rho)x 0.1341595E-13 GRAD(Rho)y 0.1274073E-13 GRAD(Rho)z -0.9830701E-14 Laplacian 0.1814127E+00 (-1/4)Del**2(Rho)) -0.4535317E-01 Diamond 0.7953874E-01 Metallicity 0.1982482E+01 Ellipticity 0.1451326E-01 Gb(Abramov) 0.4522075E-01 Vb(Abramov) -0.4508834E-01 Hb(Abramov) 0.1324128E-03 Ex_ueg -0.1102714E-01 Ec_ueg -0.2016213E-02 Delta_ex -0.1463715E-01 Delta_ec 0.5915063E-02 Delta_et -0.5991101E-01 Pxc 0.5469232E+01 Qxc -0.2474556E+01 3,-1 95 3 +1 -1.410807 2.307402 -0.805969 Rho 0.2499655E-01 |GRAD(Rho)| 0.2747513E-16 GRAD(Rho)x 0.1239069E-16 GRAD(Rho)y -0.2365931E-16 GRAD(Rho)z 0.6449090E-17 Laplacian 0.9401734E-01 (-1/4)Del**2(Rho)) -0.2350434E-01 Diamond 0.1088998E-01 Metallicity 0.1566290E+01 Ellipticity -0.2563389E+01 Gb(Abramov) 0.2180532E-01 Vb(Abramov) -0.2010631E-01 Hb(Abramov) 0.1699013E-02 Ex_ueg -0.5397905E-02 Ec_ueg -0.1088541E-02 Delta_ex -0.5694632E-02 Delta_ec 0.1323088E-02 Delta_et -0.1174194E-01 Pxc 0.4958846E+01 Qxc -0.4304045E+01 3,+1 96 3 +1 -1.410807 2.307402 0.805969 Rho 0.2499655E-01 |GRAD(Rho)| 0.6087208E-16 GRAD(Rho)x 0.1798195E-16 GRAD(Rho)y -0.4891323E-16 GRAD(Rho)z -0.3145720E-16 Laplacian 0.9401734E-01 (-1/4)Del**2(Rho)) -0.2350434E-01 Diamond 0.1088998E-01 Metallicity 0.1566290E+01 Ellipticity -0.2563389E+01 Gb(Abramov) 0.2180532E-01 Vb(Abramov) -0.2010631E-01 Hb(Abramov) 0.1699013E-02 Ex_ueg -0.5397905E-02 Ec_ueg -0.1088541E-02 Delta_ex -0.5694632E-02 Delta_ec 0.1323088E-02 Delta_et -0.1174194E-01 Pxc 0.4958846E+01 Qxc -0.4304045E+01 3,+1 97 3 -1 -1.995607 2.763403 -1.520271 Rho 0.9932963E-01 |GRAD(Rho)| 0.2444761E-12 GRAD(Rho)x -0.1383892E-12 GRAD(Rho)y -0.1965297E-12 GRAD(Rho)z -0.4464375E-13 Laplacian 0.4130657E+00 (-1/4)Del**2(Rho)) -0.1032664E+00 Diamond 0.5246003E+00 Metallicity 0.3554066E+01 Ellipticity 0.4225483E-02 Gb(Abramov) 0.1300136E+00 Vb(Abramov) -0.1567607E+00 Hb(Abramov) -0.2674713E-01 Ex_ueg -0.3397479E-01 Ec_ueg -0.5284462E-02 Delta_ex -0.4045049E-01 Delta_ec 0.1199800E-01 Delta_et -0.1493991E+00 Pxc 0.6429188E+01 Qxc -0.3371437E+01 3,-1 98 3 +3 -1.122720 0.002322 -1.617797 Rho 0.5454682E-02 |GRAD(Rho)| 0.1815800E-17 GRAD(Rho)x 0.1662420E-17 GRAD(Rho)y -0.7154426E-18 GRAD(Rho)z -0.1470793E-18 Laplacian 0.2057280E-01 (-1/4)Del**2(Rho)) -0.5143201E-02 Diamond 0.1551853E-03 Metallicity 0.5661552E+00 Ellipticity -0.3608060E+00 Gb(Abramov) 0.3914109E-02 Vb(Abramov) -0.2685017E-02 Hb(Abramov) 0.1229092E-02 Ex_ueg -0.7091602E-03 Ec_ueg -0.1665318E-03 Delta_ex -0.7226792E-03 Delta_ec 0.8074751E-04 Delta_et -0.6769744E-03 Pxc 0.4258407E+01 Qxc -0.8949865E+01 3,+3 99 3 +3 -1.122720 0.002322 1.617797 Rho 0.5454682E-02 |GRAD(Rho)| 0.2816947E-17 GRAD(Rho)x 0.2260031E-17 GRAD(Rho)y 0.3078499E-18 GRAD(Rho)z -0.1653081E-17 Laplacian 0.2057280E-01 (-1/4)Del**2(Rho)) -0.5143201E-02 Diamond 0.1551853E-03 Metallicity 0.5661552E+00 Ellipticity -0.3608060E+00 Gb(Abramov) 0.3914109E-02 Vb(Abramov) -0.2685017E-02 Hb(Abramov) 0.1229092E-02 Ex_ueg -0.7091602E-03 Ec_ueg -0.1665318E-03 Delta_ex -0.7226792E-03 Delta_ec 0.8074751E-04 Delta_et -0.6769744E-03 Pxc 0.4258407E+01 Qxc -0.8949865E+01 3,+3 100 3 -1 -1.995607 2.763403 1.520271 Rho 0.9932963E-01 |GRAD(Rho)| 0.1564830E-14 GRAD(Rho)x -0.5233376E-15 GRAD(Rho)y -0.1215594E-15 GRAD(Rho)z 0.1469706E-14 Laplacian 0.4130657E+00 (-1/4)Del**2(Rho)) -0.1032664E+00 Diamond 0.5246003E+00 Metallicity 0.3554066E+01 Ellipticity 0.4225483E-02 Gb(Abramov) 0.1300136E+00 Vb(Abramov) -0.1567607E+00 Hb(Abramov) -0.2674713E-01 Ex_ueg -0.3397479E-01 Ec_ueg -0.5284462E-02 Delta_ex -0.4045049E-01 Delta_ec 0.1199800E-01 Delta_et -0.1493991E+00 Pxc 0.6429188E+01 Qxc -0.3371437E+01 3,-1 101 3 +3 -0.194840 -2.390106 -1.541177 Rho 0.2449376E-02 |GRAD(Rho)| 0.5508602E-17 GRAD(Rho)x -0.3071084E-17 GRAD(Rho)y 0.4543176E-17 GRAD(Rho)z -0.5222005E-18 Laplacian 0.9694899E-02 (-1/4)Del**2(Rho)) -0.2423725E-02 Diamond 0.5431526E-04 Metallicity 0.3163460E+00 Ellipticity -0.3895852E+00 Gb(Abramov) 0.1743606E-02 Vb(Abramov) -0.1063487E-02 Hb(Abramov) 0.6801190E-03 Ex_ueg -0.2438517E-03 Ec_ueg -0.3885655E-04 Delta_ex -0.3450899E-03 Delta_ec 0.1658450E-03 Delta_et -0.7834631E-03 Pxc 0.6275691E+01 Qxc -0.2080798E+01 3,+3 102 3 +3 -0.194840 -2.390106 1.541177 Rho 0.2449376E-02 |GRAD(Rho)| 0.9056466E-13 GRAD(Rho)x -0.7117498E-13 GRAD(Rho)y -0.5555567E-13 GRAD(Rho)z 0.7046201E-14 Laplacian 0.9694899E-02 (-1/4)Del**2(Rho)) -0.2423725E-02 Diamond 0.5431526E-04 Metallicity 0.3163460E+00 Ellipticity -0.3895852E+00 Gb(Abramov) 0.1743606E-02 Vb(Abramov) -0.1063487E-02 Hb(Abramov) 0.6801190E-03 Ex_ueg -0.2438517E-03 Ec_ueg -0.3885655E-04 Delta_ex -0.3450899E-03 Delta_ec 0.1658450E-03 Delta_et -0.7834631E-03 Pxc 0.6275691E+01 Qxc -0.2080798E+01 3,+3 103 3 +1 -0.210689 2.253280 -1.959666 Rho 0.5603155E-02 |GRAD(Rho)| 0.1133635E-12 GRAD(Rho)x -0.9785137E-13 GRAD(Rho)y -0.1412506E-13 GRAD(Rho)z -0.5546960E-13 Laplacian 0.2291214E-01 (-1/4)Del**2(Rho)) -0.5728036E-02 Diamond 0.5285840E-03 Metallicity 0.5316207E+00 Ellipticity -0.1910893E+01 Gb(Abramov) 0.4326214E-02 Vb(Abramov) -0.2924393E-02 Hb(Abramov) 0.1401821E-02 Ex_ueg -0.7350134E-03 Ec_ueg -0.1729607E-03 Delta_ex -0.1089579E-02 Delta_ec 0.5873692E-03 Delta_et -0.3354219E-02 Pxc 0.4249599E+01 Qxc -0.1855016E+01 3,+1 104 3 +1 -0.210689 2.253280 1.959666 Rho 0.5603155E-02 |GRAD(Rho)| 0.1133624E-12 GRAD(Rho)x -0.9785426E-13 GRAD(Rho)y -0.1411796E-13 GRAD(Rho)z 0.5546399E-13 Laplacian 0.2291214E-01 (-1/4)Del**2(Rho)) -0.5728036E-02 Diamond 0.5285840E-03 Metallicity 0.5316207E+00 Ellipticity -0.1910893E+01 Gb(Abramov) 0.4326214E-02 Vb(Abramov) -0.2924393E-02 Hb(Abramov) 0.1401821E-02 Ex_ueg -0.7350134E-03 Ec_ueg -0.1729607E-03 Delta_ex -0.1089579E-02 Delta_ec 0.5873692E-03 Delta_et -0.3354219E-02 Pxc 0.4249599E+01 Qxc -0.1855016E+01 3,+1 105 3 -1 -0.180737 -3.375106 -1.613733 Rho 0.3700028E-02 |GRAD(Rho)| 0.8724462E-16 GRAD(Rho)x -0.3894796E-16 GRAD(Rho)y 0.7557365E-16 GRAD(Rho)z 0.1957815E-16 Laplacian 0.1338223E-01 (-1/4)Del**2(Rho)) -0.3345557E-02 Diamond 0.3296955E-03 Metallicity 0.4557846E+00 Ellipticity 0.1168734E+00 Gb(Abramov) 0.2484514E-02 Vb(Abramov) -0.1623470E-02 Hb(Abramov) 0.8610434E-03 Ex_ueg -0.4226605E-03 Ec_ueg -0.9140593E-04 Delta_ex -0.7970862E-03 Delta_ec 0.7221404E-03 Delta_et -0.3457431E-02 Pxc 0.4623994E+01 Qxc -0.1103783E+01 3,-1 106 3 -1 -0.180737 -3.375106 1.613733 Rho 0.3700028E-02 |GRAD(Rho)| 0.1489711E-16 GRAD(Rho)x 0.1487327E-16 GRAD(Rho)y 0.7622895E-18 GRAD(Rho)z -0.3588212E-18 Laplacian 0.1338223E-01 (-1/4)Del**2(Rho)) -0.3345557E-02 Diamond 0.3296955E-03 Metallicity 0.4557846E+00 Ellipticity 0.1168734E+00 Gb(Abramov) 0.2484514E-02 Vb(Abramov) -0.1623470E-02 Hb(Abramov) 0.8610434E-03 Ex_ueg -0.4226605E-03 Ec_ueg -0.9140593E-04 Delta_ex -0.7970862E-03 Delta_ec 0.7221404E-03 Delta_et -0.3457431E-02 Pxc 0.4623994E+01 Qxc -0.1103783E+01 3,-1 107 3 +1 2.075140 0.017508 2.848770 Rho 0.1202222E-01 |GRAD(Rho)| 0.1588239E-16 GRAD(Rho)x -0.3708130E-17 GRAD(Rho)y 0.1540030E-16 GRAD(Rho)z 0.1153718E-17 Laplacian 0.5657442E-01 (-1/4)Del**2(Rho)) -0.1414360E-01 Diamond 0.1861719E-02 Metallicity 0.7684832E+00 Ellipticity -0.1140588E+01 Gb(Abramov) 0.1124059E-01 Vb(Abramov) -0.8337575E-02 Hb(Abramov) 0.2903014E-02 Ex_ueg -0.2034065E-02 Ec_ueg -0.4605950E-03 Delta_ex -0.2663767E-02 Delta_ec 0.5228124E-03 Delta_et -0.4084385E-02 Pxc 0.4416168E+01 Qxc -0.5095072E+01 3,+1 108 3 +1 1.658459 -0.768665 0.000000 Rho 0.8505287E-02 |GRAD(Rho)| 0.8404544E-17 GRAD(Rho)x -0.5187432E-17 GRAD(Rho)y 0.2199773E-17 GRAD(Rho)z 0.6236017E-17 Laplacian 0.3462224E-01 (-1/4)Del**2(Rho)) -0.8655560E-02 Diamond 0.9061223E-03 Metallicity 0.7053527E+00 Ellipticity -0.1388460E+01 Gb(Abramov) 0.6787910E-02 Vb(Abramov) -0.4920261E-02 Hb(Abramov) 0.1867650E-02 Ex_ueg -0.1282243E-02 Ec_ueg -0.3007444E-03 Delta_ex -0.1574265E-02 Delta_ec 0.4818554E-03 Delta_et -0.3288442E-02 Pxc 0.4263564E+01 Qxc -0.3267089E+01 3,+1 109 3 +1 0.527884 1.492057 -0.843350 Rho 0.7774761E-02 |GRAD(Rho)| 0.5705595E-17 GRAD(Rho)x 0.9730217E-18 GRAD(Rho)y 0.4713996E-17 GRAD(Rho)z 0.3063541E-17 Laplacian 0.3058990E-01 (-1/4)Del**2(Rho)) -0.7647474E-02 Diamond 0.7213919E-03 Metallicity 0.6873537E+00 Ellipticity -0.1408992E+01 Gb(Abramov) 0.5974403E-02 Vb(Abramov) -0.4301331E-02 Hb(Abramov) 0.1673072E-02 Ex_ueg -0.1137543E-02 Ec_ueg -0.2682093E-03 Delta_ex -0.1366438E-02 Delta_ec 0.4376757E-03 Delta_et -0.2908606E-02 Pxc 0.4241251E+01 Qxc -0.3122034E+01 3,+1 110 3 +1 0.527884 1.492057 0.843350 Rho 0.7774761E-02 |GRAD(Rho)| 0.4498805E-17 GRAD(Rho)x 0.4222174E-17 GRAD(Rho)y 0.1543440E-17 GRAD(Rho)z 0.1740405E-18 Laplacian 0.3058990E-01 (-1/4)Del**2(Rho)) -0.7647474E-02 Diamond 0.7213919E-03 Metallicity 0.6873537E+00 Ellipticity -0.1408992E+01 Gb(Abramov) 0.5974403E-02 Vb(Abramov) -0.4301331E-02 Hb(Abramov) 0.1673072E-02 Ex_ueg -0.1137543E-02 Ec_ueg -0.2682093E-03 Delta_ex -0.1366438E-02 Delta_ec 0.4376757E-03 Delta_et -0.2908606E-02 Pxc 0.4241251E+01 Qxc -0.3122034E+01 3,+1 111 3 +1 2.075140 0.017508 -2.848770 Rho 0.1202222E-01 |GRAD(Rho)| 0.1361584E-16 GRAD(Rho)x 0.8078462E-17 GRAD(Rho)y 0.5352685E-17 GRAD(Rho)z 0.9564433E-17 Laplacian 0.5657442E-01 (-1/4)Del**2(Rho)) -0.1414360E-01 Diamond 0.1861719E-02 Metallicity 0.7684832E+00 Ellipticity -0.1140588E+01 Gb(Abramov) 0.1124059E-01 Vb(Abramov) -0.8337575E-02 Hb(Abramov) 0.2903014E-02 Ex_ueg -0.2034065E-02 Ec_ueg -0.4605950E-03 Delta_ex -0.2663767E-02 Delta_ec 0.5228124E-03 Delta_et -0.4084385E-02 Pxc 0.4416168E+01 Qxc -0.5095072E+01 3,+1 112 3 -1 -0.836241 3.580650 -0.721399 Rho 0.1614262E+00 |GRAD(Rho)| 0.2940746E-15 GRAD(Rho)x 0.1229756E-15 GRAD(Rho)y -0.4885855E-16 GRAD(Rho)z 0.2626209E-15 Laplacian 0.6270385E+00 (-1/4)Del**2(Rho)) -0.1567596E+00 Diamond 0.1383493E+01 Metallicity 0.5259475E+01 Ellipticity 0.3556707E-01 Gb(Abramov) 0.2419186E+00 Vb(Abramov) -0.3270776E+00 Hb(Abramov) -0.8515900E-01 Ex_ueg -0.6491580E-01 Ec_ueg -0.9178923E-02 Delta_ex -0.6853117E-01 Delta_ec 0.1554901E-01 Delta_et -0.2088350E+00 Pxc 0.7072268E+01 Qxc -0.4407429E+01 3,-1 113 3 -1 -0.836241 3.580650 0.721399 Rho 0.1614262E+00 |GRAD(Rho)| 0.2225340E-15 GRAD(Rho)x 0.1814954E-15 GRAD(Rho)y -0.9919772E-16 GRAD(Rho)z -0.8210121E-16 Laplacian 0.6270385E+00 (-1/4)Del**2(Rho)) -0.1567596E+00 Diamond 0.1383493E+01 Metallicity 0.5259475E+01 Ellipticity 0.3556707E-01 Gb(Abramov) 0.2419186E+00 Vb(Abramov) -0.3270776E+00 Hb(Abramov) -0.8515900E-01 Ex_ueg -0.6491580E-01 Ec_ueg -0.9178923E-02 Delta_ex -0.6853117E-01 Delta_ec 0.1554901E-01 Delta_et -0.2088350E+00 Pxc 0.7072268E+01 Qxc -0.4407429E+01 3,-1 114 3 -1 -0.575425 -0.707361 -3.227213 Rho 0.1557591E+00 |GRAD(Rho)| 0.2308684E-13 GRAD(Rho)x 0.2227713E-13 GRAD(Rho)y -0.5111336E-14 GRAD(Rho)z -0.3256699E-14 Laplacian 0.6537714E+00 (-1/4)Del**2(Rho)) -0.1634428E+00 Diamond 0.1369803E+01 Metallicity 0.4752729E+01 Ellipticity 0.2643098E-01 Gb(Abramov) 0.2384285E+00 Vb(Abramov) -0.3134141E+00 Hb(Abramov) -0.7498564E-01 Ex_ueg -0.6189511E-01 Ec_ueg -0.8813194E-02 Delta_ex -0.7070848E-01 Delta_ec 0.1615507E-01 Delta_et -0.2154840E+00 Pxc 0.7023006E+01 Qxc -0.4376860E+01 3,-1 115 3 -1 -0.585233 -0.766532 -0.000000 Rho 0.1888747E+00 |GRAD(Rho)| 0.2521102E-14 GRAD(Rho)x 0.2484124E-14 GRAD(Rho)y -0.4302114E-15 GRAD(Rho)z -0.1957951E-18 Laplacian 0.5023971E+00 (-1/4)Del**2(Rho)) -0.1255993E+00 Diamond 0.1349858E+01 Metallicity 0.8528167E+01 Ellipticity 0.2633591E-01 Gb(Abramov) 0.2622548E+00 Vb(Abramov) -0.3989103E+00 Hb(Abramov) -0.1366555E+00 Ex_ueg -0.8003564E-01 Ec_ueg -0.1097698E-01 Delta_ex -0.5719825E-01 Delta_ec 0.1210526E-01 Delta_et -0.1658799E+00 Pxc 0.7291226E+01 Qxc -0.4725076E+01 3,-1 116 3 -1 -0.575425 -0.707361 3.227213 Rho 0.1557591E+00 |GRAD(Rho)| 0.2314874E-13 GRAD(Rho)x 0.2233329E-13 GRAD(Rho)y -0.5131963E-14 GRAD(Rho)z 0.3278898E-14 Laplacian 0.6537714E+00 (-1/4)Del**2(Rho)) -0.1634428E+00 Diamond 0.1369803E+01 Metallicity 0.4752729E+01 Ellipticity 0.2643098E-01 Gb(Abramov) 0.2384285E+00 Vb(Abramov) -0.3134141E+00 Hb(Abramov) -0.7498564E-01 Ex_ueg -0.6189511E-01 Ec_ueg -0.8813194E-02 Delta_ex -0.7070848E-01 Delta_ec 0.1615507E-01 Delta_et -0.2154840E+00 Pxc 0.7023006E+01 Qxc -0.4376860E+01 3,-1 117 3 -1 -0.542573 2.452290 -0.000000 Rho 0.4501319E-01 |GRAD(Rho)| 0.5847066E-16 GRAD(Rho)x 0.4639919E-16 GRAD(Rho)y -0.3555336E-16 GRAD(Rho)z 0.1375232E-17 Laplacian 0.1813097E+00 (-1/4)Del**2(Rho)) -0.4532743E-01 Diamond 0.7903969E-01 Metallicity 0.2164836E+01 Ellipticity 0.1764951E-01 Gb(Abramov) 0.4657270E-01 Vb(Abramov) -0.4781796E-01 Hb(Abramov) -0.1245265E-02 Ex_ueg -0.1182601E-01 Ec_ueg -0.2141134E-02 Delta_ex -0.1450429E-01 Delta_ec 0.5350045E-02 Delta_et -0.5486503E-01 Pxc 0.5523244E+01 Qxc -0.2711059E+01 3,-1 118 3 -1 -0.545710 0.696119 3.250361 Rho 0.1689079E+00 |GRAD(Rho)| 0.6155219E-13 GRAD(Rho)x 0.1028019E-13 GRAD(Rho)y 0.6055329E-13 GRAD(Rho)z 0.4036010E-14 Laplacian 0.6932502E+00 (-1/4)Del**2(Rho)) -0.1733126E+00 Diamond 0.1602432E+01 Metallicity 0.5130264E+01 Ellipticity 0.9095347E-02 Gb(Abramov) 0.2637316E+00 Vb(Abramov) -0.3541506E+00 Hb(Abramov) -0.9041901E-01 Ex_ueg -0.6895805E-01 Ec_ueg -0.9664683E-02 Delta_ex -0.7651994E-01 Delta_ec 0.1679989E-01 Delta_et -0.2263433E+00 Pxc 0.7135055E+01 Qxc -0.4554788E+01 3,-1 119 3 -1 -0.545710 0.696119 -3.250361 Rho 0.1689079E+00 |GRAD(Rho)| 0.3044830E-13 GRAD(Rho)x -0.2491301E-13 GRAD(Rho)y -0.9924516E-15 GRAD(Rho)z 0.1747730E-13 Laplacian 0.6932502E+00 (-1/4)Del**2(Rho)) -0.1733126E+00 Diamond 0.1602432E+01 Metallicity 0.5130264E+01 Ellipticity 0.9095347E-02 Gb(Abramov) 0.2637316E+00 Vb(Abramov) -0.3541506E+00 Hb(Abramov) -0.9041901E-01 Ex_ueg -0.6895805E-01 Ec_ueg -0.9664683E-02 Delta_ex -0.7651994E-01 Delta_ec 0.1679989E-01 Delta_et -0.2263433E+00 Pxc 0.7135055E+01 Qxc -0.4554788E+01 3,-1 120 3 -1 -0.525586 0.609290 0.000000 Rho 0.1771317E+00 |GRAD(Rho)| 0.4182641E-14 GRAD(Rho)x 0.7875645E-15 GRAD(Rho)y -0.4107825E-14 GRAD(Rho)z -0.4130250E-18 Laplacian 0.4579152E+00 (-1/4)Del**2(Rho)) -0.1144788E+00 Diamond 0.1151665E+01 Metallicity 0.8407277E+01 Ellipticity 0.9247215E-02 Gb(Abramov) 0.2367284E+00 Vb(Abramov) -0.3589779E+00 Hb(Abramov) -0.1222496E+00 Ex_ueg -0.7347059E-01 Ec_ueg -0.1020241E-01 Delta_ex -0.5139864E-01 Delta_ec 0.1140156E-01 Delta_et -0.1557157E+00 Pxc 0.7201299E+01 Qxc -0.4508036E+01 3,-1 121 3 +3 0.016347 1.584182 -1.617126 Rho 0.4558068E-02 |GRAD(Rho)| 0.4259629E-14 GRAD(Rho)x 0.1625332E-14 GRAD(Rho)y -0.3921781E-14 GRAD(Rho)z 0.3498065E-15 Laplacian 0.1857525E-01 (-1/4)Del**2(Rho)) -0.4643814E-02 Diamond 0.1470796E-03 Metallicity 0.4648502E+00 Ellipticity -0.3188738E+00 Gb(Abramov) 0.3455655E-02 Vb(Abramov) -0.2267497E-02 Hb(Abramov) 0.1188158E-02 Ex_ueg -0.5581609E-03 Ec_ueg -0.1279445E-03 Delta_ex -0.6599839E-03 Delta_ec 0.1433318E-03 Delta_et -0.9372238E-03 Pxc 0.4362524E+01 Qxc -0.4604587E+01 3,+3 122 3 +3 0.016347 1.584182 1.617126 Rho 0.4558068E-02 |GRAD(Rho)| 0.4263107E-14 GRAD(Rho)x 0.1628461E-14 GRAD(Rho)y -0.3923949E-14 GRAD(Rho)z -0.3532977E-15 Laplacian 0.1857525E-01 (-1/4)Del**2(Rho)) -0.4643814E-02 Diamond 0.1470796E-03 Metallicity 0.4648502E+00 Ellipticity -0.3188738E+00 Gb(Abramov) 0.3455655E-02 Vb(Abramov) -0.2267497E-02 Hb(Abramov) 0.1188158E-02 Ex_ueg -0.5581609E-03 Ec_ueg -0.1279445E-03 Delta_ex -0.6599839E-03 Delta_ec 0.1433318E-03 Delta_et -0.9372238E-03 Pxc 0.4362524E+01 Qxc -0.4604587E+01 3,+3 123 3 -1 -0.051162 -0.028851 -4.500328 Rho 0.2306728E+00 |GRAD(Rho)| 0.1177495E-13 GRAD(Rho)x -0.7322458E-14 GRAD(Rho)y 0.8469933E-14 GRAD(Rho)z -0.3645738E-14 Laplacian 0.8575106E+00 (-1/4)Del**2(Rho)) -0.2143776E+00 Diamond 0.2884720E+01 Metallicity 0.6972163E+01 Ellipticity 0.3207992E-02 Gb(Abramov) 0.3920311E+00 Vb(Abramov) -0.5696845E+00 Hb(Abramov) -0.1776534E+00 Ex_ueg -0.1044833E+00 Ec_ueg -0.1379673E-01 Delta_ex -0.1025020E+00 Delta_ec 0.1909710E-01 Delta_et -0.2638313E+00 Pxc 0.7573046E+01 Qxc -0.5367412E+01 3,-1 124 3 -1 0.099198 4.550853 0.000000 Rho 0.2297480E+00 |GRAD(Rho)| 0.6994280E-13 GRAD(Rho)x -0.1752664E-13 GRAD(Rho)y -0.6771124E-13 GRAD(Rho)z -0.9878702E-17 Laplacian 0.8450986E+00 (-1/4)Del**2(Rho)) -0.2112747E+00 Diamond 0.2835944E+01 Metallicity 0.7027356E+01 Ellipticity 0.2756348E-03 Gb(Abramov) 0.3883001E+00 Vb(Abramov) -0.5653256E+00 Hb(Abramov) -0.1770255E+00 Ex_ueg -0.1039251E+00 Ec_ueg -0.1373330E-01 Delta_ex -0.1009506E+00 Delta_ec 0.1891008E-01 Delta_et -0.2614842E+00 Pxc 0.7567384E+01 Qxc -0.5338453E+01 3,-1 125 3 +3 1.117035 1.477304 -0.000000 Rho 0.4352996E-02 |GRAD(Rho)| 0.8280818E-15 GRAD(Rho)x -0.3569884E-15 GRAD(Rho)y -0.7242350E-15 GRAD(Rho)z -0.1837456E-15 Laplacian 0.1711850E-01 (-1/4)Del**2(Rho)) -0.4279625E-02 Diamond 0.1079960E-03 Metallicity 0.4671553E+00 Ellipticity -0.9557831E-01 Gb(Abramov) 0.3186291E-02 Vb(Abramov) -0.2092958E-02 Hb(Abramov) 0.1093333E-02 Ex_ueg -0.5249317E-03 Ec_ueg -0.1191767E-03 Delta_ex -0.5793727E-03 Delta_ec 0.9354625E-04 Delta_et -0.6697411E-03 Pxc 0.4404649E+01 Qxc -0.6193436E+01 3,+3 126 3 +1 1.766345 2.505045 -0.000000 Rho 0.1260214E-01 |GRAD(Rho)| 0.1823427E-12 GRAD(Rho)x -0.1115927E-12 GRAD(Rho)y -0.1442080E-12 GRAD(Rho)z -0.1875687E-16 Laplacian 0.6328329E-01 (-1/4)Del**2(Rho)) -0.1582082E-01 Diamond 0.2658606E-02 Metallicity 0.7431296E+00 Ellipticity -0.1241804E+01 Gb(Abramov) 0.1250670E-01 Vb(Abramov) -0.9192582E-02 Hb(Abramov) 0.3314121E-02 Ex_ueg -0.2165928E-02 Ec_ueg -0.4874368E-03 Delta_ex -0.3136723E-02 Delta_ec 0.7956344E-03 Delta_et -0.6056911E-02 Pxc 0.4443507E+01 Qxc -0.3942418E+01 3,+1 127 3 -1 0.550434 3.243012 -0.683729 Rho 0.1352490E+00 |GRAD(Rho)| 0.2390406E-12 GRAD(Rho)x -0.1812735E-12 GRAD(Rho)y -0.1031827E-12 GRAD(Rho)z 0.1167633E-12 Laplacian 0.5632653E+00 (-1/4)Del**2(Rho)) -0.1408163E+00 Diamond 0.1010230E+01 Metallicity 0.4359705E+01 Ellipticity 0.1191891E-01 Gb(Abramov) 0.1961972E+00 Vb(Abramov) -0.2515780E+00 Hb(Abramov) -0.5538083E-01 Ex_ueg -0.5127401E-01 Ec_ueg -0.7506035E-02 Delta_ex -0.5900559E-01 Delta_ec 0.1470389E-01 Delta_et -0.1928571E+00 Pxc 0.6831037E+01 Qxc -0.4012922E+01 3,-1 128 3 -1 0.550434 3.243012 0.683729 Rho 0.1352490E+00 |GRAD(Rho)| 0.1219189E-15 GRAD(Rho)x -0.7223497E-17 GRAD(Rho)y -0.7764920E-16 GRAD(Rho)z 0.9371573E-16 Laplacian 0.5632653E+00 (-1/4)Del**2(Rho)) -0.1408163E+00 Diamond 0.1010230E+01 Metallicity 0.4359705E+01 Ellipticity 0.1191891E-01 Gb(Abramov) 0.1961972E+00 Vb(Abramov) -0.2515780E+00 Hb(Abramov) -0.5538083E-01 Ex_ueg -0.5127401E-01 Ec_ueg -0.7506035E-02 Delta_ex -0.5900559E-01 Delta_ec 0.1470389E-01 Delta_et -0.1928571E+00 Pxc 0.6831037E+01 Qxc -0.4012922E+01 3,-1 129 3 -1 0.885953 -0.693230 -3.504575 Rho 0.1283996E+00 |GRAD(Rho)| 0.3783453E-15 GRAD(Rho)x 0.1497690E-15 GRAD(Rho)y -0.3447627E-15 GRAD(Rho)z 0.4304706E-16 Laplacian 0.5116847E+00 (-1/4)Del**2(Rho)) -0.1279212E+00 Diamond 0.8543708E+00 Metallicity 0.4400989E+01 Ellipticity 0.5562309E-01 Gb(Abramov) 0.1791107E+00 Vb(Abramov) -0.2303003E+00 Hb(Abramov) -0.5118956E-01 Ex_ueg -0.4784135E-01 Ec_ueg -0.7075477E-02 Delta_ex -0.5283846E-01 Delta_ec 0.1335403E-01 Delta_et -0.1733829E+00 Pxc 0.6761572E+01 Qxc -0.3956743E+01 3,-1 130 3 -1 0.885953 -0.693230 3.504575 Rho 0.1283996E+00 |GRAD(Rho)| 0.3689253E-15 GRAD(Rho)x 0.1518290E-15 GRAD(Rho)y -0.3340562E-15 GRAD(Rho)z -0.3821304E-16 Laplacian 0.5116847E+00 (-1/4)Del**2(Rho)) -0.1279212E+00 Diamond 0.8543708E+00 Metallicity 0.4400989E+01 Ellipticity 0.5562309E-01 Gb(Abramov) 0.1791107E+00 Vb(Abramov) -0.2303003E+00 Hb(Abramov) -0.5118956E-01 Ex_ueg -0.4784135E-01 Ec_ueg -0.7075477E-02 Delta_ex -0.5283846E-01 Delta_ec 0.1335403E-01 Delta_et -0.1733829E+00 Pxc 0.6761572E+01 Qxc -0.3956743E+01 3,-1 131 3 -1 2.039968 -1.537405 -2.718088 Rho 0.1366499E+00 |GRAD(Rho)| 0.3152328E-15 GRAD(Rho)x -0.7109656E-16 GRAD(Rho)y -0.3381356E-16 GRAD(Rho)z -0.3052436E-15 Laplacian 0.5192731E+00 (-1/4)Del**2(Rho)) -0.1298183E+00 Diamond 0.9512230E+00 Metallicity 0.4810972E+01 Ellipticity 0.3107006E-01 Gb(Abramov) 0.1906375E+00 Vb(Abramov) -0.2514568E+00 Hb(Abramov) -0.6081926E-01 Ex_ueg -0.5198334E-01 Ec_ueg -0.7594472E-02 Delta_ex -0.5462672E-01 Delta_ec 0.1368883E-01 Delta_et -0.1801669E+00 Pxc 0.6844891E+01 Qxc -0.3990607E+01 3,-1 132 3 +1 1.374706 -0.804903 -2.299421 Rho 0.2941304E-01 |GRAD(Rho)| 0.2058221E-16 GRAD(Rho)x 0.1612657E-16 GRAD(Rho)y 0.1267664E-16 GRAD(Rho)z -0.1692308E-17 Laplacian 0.1180860E+00 (-1/4)Del**2(Rho)) -0.2952150E-01 Diamond 0.1990529E-01 Metallicity 0.1635490E+01 Ellipticity -0.5408907E+01 Gb(Abramov) 0.2772802E-01 Vb(Abramov) -0.2593454E-01 Hb(Abramov) 0.1793480E-02 Ex_ueg -0.6705609E-02 Ec_ueg -0.1313371E-02 Delta_ex -0.7723071E-02 Delta_ec 0.2095113E-02 Delta_et -0.1922383E-01 Pxc 0.5105648E+01 Qxc -0.3686231E+01 3,+1 133 3 +1 1.374706 -0.804903 2.299421 Rho 0.2941304E-01 |GRAD(Rho)| 0.1218277E-16 GRAD(Rho)x 0.1174611E-16 GRAD(Rho)y -0.3163558E-17 GRAD(Rho)z 0.6637581E-18 Laplacian 0.1180860E+00 (-1/4)Del**2(Rho)) -0.2952150E-01 Diamond 0.1990529E-01 Metallicity 0.1635490E+01 Ellipticity -0.5408907E+01 Gb(Abramov) 0.2772802E-01 Vb(Abramov) -0.2593454E-01 Hb(Abramov) 0.1793480E-02 Ex_ueg -0.6705609E-02 Ec_ueg -0.1313371E-02 Delta_ex -0.7723071E-02 Delta_ec 0.2095113E-02 Delta_et -0.1922383E-01 Pxc 0.5105648E+01 Qxc -0.3686231E+01 3,+1 134 3 -1 2.039968 -1.537405 2.718088 Rho 0.1366499E+00 |GRAD(Rho)| 0.5808994E-15 GRAD(Rho)x -0.2435254E-15 GRAD(Rho)y 0.2030711E-15 GRAD(Rho)z 0.4867255E-15 Laplacian 0.5192731E+00 (-1/4)Del**2(Rho)) -0.1298183E+00 Diamond 0.9512230E+00 Metallicity 0.4810972E+01 Ellipticity 0.3107006E-01 Gb(Abramov) 0.1906375E+00 Vb(Abramov) -0.2514568E+00 Hb(Abramov) -0.6081926E-01 Ex_ueg -0.5198334E-01 Ec_ueg -0.7594472E-02 Delta_ex -0.5462672E-01 Delta_ec 0.1368883E-01 Delta_et -0.1801669E+00 Pxc 0.6844891E+01 Qxc -0.3990607E+01 3,-1 135 3 +1 1.682113 0.733598 -0.000000 Rho 0.6670081E-02 |GRAD(Rho)| 0.1790915E-15 GRAD(Rho)x -0.1119626E-15 GRAD(Rho)y -0.1063406E-15 GRAD(Rho)z -0.9071824E-16 Laplacian 0.2574462E-01 (-1/4)Del**2(Rho)) -0.6436156E-02 Diamond 0.4997777E-03 Metallicity 0.6326233E+00 Ellipticity -0.1384453E+01 Gb(Abramov) 0.4969381E-02 Vb(Abramov) -0.3502606E-02 Hb(Abramov) 0.1466775E-02 Ex_ueg -0.9273134E-03 Ec_ueg -0.2194763E-03 Delta_ex -0.1111385E-02 Delta_ec 0.3760421E-03 Delta_et -0.2394444E-02 Pxc 0.4225118E+01 Qxc -0.2955480E+01 3,+1 136 3 +1 1.345744 0.722874 2.283222 Rho 0.2554834E-01 |GRAD(Rho)| 0.1139380E-13 GRAD(Rho)x 0.7817380E-14 GRAD(Rho)y 0.7910098E-14 GRAD(Rho)z 0.2477432E-14 Laplacian 0.9826947E-01 (-1/4)Del**2(Rho)) -0.2456737E-01 Diamond 0.1317896E-01 Metallicity 0.1554052E+01 Ellipticity -0.3929533E+01 Gb(Abramov) 0.2274141E-01 Vb(Abramov) -0.2091545E-01 Hb(Abramov) 0.1825960E-02 Ex_ueg -0.5557361E-02 Ec_ueg -0.1116362E-02 Delta_ex -0.6140695E-02 Delta_ec 0.1655634E-02 Delta_et -0.1469480E-01 Pxc 0.4978101E+01 Qxc -0.3708970E+01 3,+1 137 3 -1 0.848395 0.711410 3.494200 Rho 0.1240043E+00 |GRAD(Rho)| 0.2104048E-15 GRAD(Rho)x -0.1394284E-15 GRAD(Rho)y -0.1574668E-15 GRAD(Rho)z -0.5840292E-17 Laplacian 0.4839729E+00 (-1/4)Del**2(Rho)) -0.1209932E+00 Diamond 0.7803538E+00 Metallicity 0.4390563E+01 Ellipticity 0.3207385E-01 Gb(Abramov) 0.1692002E+00 Vb(Abramov) -0.2174072E+00 Hb(Abramov) -0.4820700E-01 Ex_ueg -0.4567034E-01 Ec_ueg -0.6800831E-02 Delta_ex -0.4962885E-01 Delta_ec 0.1285931E-01 Delta_et -0.1662196E+00 Pxc 0.6715406E+01 Qxc -0.3859370E+01 3,-1 138 3 -1 0.848395 0.711410 -3.494200 Rho 0.1240043E+00 |GRAD(Rho)| 0.1783828E-15 GRAD(Rho)x 0.1177308E-15 GRAD(Rho)y 0.1233415E-15 GRAD(Rho)z -0.5240932E-16 Laplacian 0.4839729E+00 (-1/4)Del**2(Rho)) -0.1209932E+00 Diamond 0.7803538E+00 Metallicity 0.4390563E+01 Ellipticity 0.3207385E-01 Gb(Abramov) 0.1692002E+00 Vb(Abramov) -0.2174072E+00 Hb(Abramov) -0.4820700E-01 Ex_ueg -0.4567034E-01 Ec_ueg -0.6800831E-02 Delta_ex -0.4962885E-01 Delta_ec 0.1285931E-01 Delta_et -0.1662196E+00 Pxc 0.6715406E+01 Qxc -0.3859370E+01 3,-1 139 3 -1 1.716746 -0.949264 1.588137 Rho 0.4354351E-01 |GRAD(Rho)| 0.3315340E-16 GRAD(Rho)x 0.2636051E-16 GRAD(Rho)y -0.9733256E-17 GRAD(Rho)z 0.1759362E-16 Laplacian 0.1696389E+00 (-1/4)Del**2(Rho)) -0.4240973E-01 Diamond 0.7095375E-01 Metallicity 0.2189240E+01 Ellipticity 0.3837207E-01 Gb(Abramov) 0.4374734E-01 Vb(Abramov) -0.4508494E-01 Hb(Abramov) -0.1337605E-02 Ex_ueg -0.1131400E-01 Ec_ueg -0.2061221E-02 Delta_ex -0.1347222E-01 Delta_ec 0.5031418E-02 Delta_et -0.5114960E-01 Pxc 0.5488982E+01 Qxc -0.2677619E+01 3,-1 140 3 +3 2.289844 0.069398 -0.000000 Rho 0.4164542E-02 |GRAD(Rho)| 0.1764953E-17 GRAD(Rho)x -0.8163969E-18 GRAD(Rho)y 0.1495801E-17 GRAD(Rho)z 0.4594941E-18 Laplacian 0.1711595E-01 (-1/4)Del**2(Rho)) -0.4278988E-02 Diamond 0.1239032E-03 Metallicity 0.4340011E+00 Ellipticity -0.2550331E+00 Gb(Abramov) 0.3162173E-02 Vb(Abramov) -0.2045358E-02 Hb(Abramov) 0.1116815E-02 Ex_ueg -0.4948513E-03 Ec_ueg -0.1111387E-03 Delta_ex -0.5987688E-03 Delta_ec 0.1405895E-03 Delta_et -0.8863080E-03 Pxc 0.4452555E+01 Qxc -0.4258986E+01 3,+3 141 3 -1 1.716746 -0.949264 -1.588137 Rho 0.4354351E-01 |GRAD(Rho)| 0.2466378E-15 GRAD(Rho)x 0.1617503E-15 GRAD(Rho)y -0.1815979E-15 GRAD(Rho)z -0.4110069E-16 Laplacian 0.1696389E+00 (-1/4)Del**2(Rho)) -0.4240973E-01 Diamond 0.7095375E-01 Metallicity 0.2189240E+01 Ellipticity 0.3837207E-01 Gb(Abramov) 0.4374734E-01 Vb(Abramov) -0.4508494E-01 Hb(Abramov) -0.1337605E-02 Ex_ueg -0.1131400E-01 Ec_ueg -0.2061221E-02 Delta_ex -0.1347222E-01 Delta_ec 0.5031418E-02 Delta_et -0.5114960E-01 Pxc 0.5488982E+01 Qxc -0.2677619E+01 3,-1 142 3 -1 1.728553 0.805770 -1.605520 Rho 0.3576664E-01 |GRAD(Rho)| 0.8611115E-16 GRAD(Rho)x -0.5216241E-16 GRAD(Rho)y -0.6828801E-16 GRAD(Rho)z -0.5564371E-17 Laplacian 0.1380471E+00 (-1/4)Del**2(Rho)) -0.3451178E-01 Diamond 0.4276952E-01 Metallicity 0.1938129E+01 Ellipticity 0.3705502E-01 Gb(Abramov) 0.3415590E-01 Vb(Abramov) -0.3380002E-01 Hb(Abramov) 0.3558773E-03 Ex_ueg -0.8703406E-02 Ec_ueg -0.1644717E-02 Delta_ex -0.1034632E-01 Delta_ec 0.3929162E-02 Delta_et -0.3787259E-01 Pxc 0.5291736E+01 Qxc -0.2633213E+01 3,-1 143 3 +3 1.955204 0.008438 -2.678121 Rho 0.1191153E-01 |GRAD(Rho)| 0.1250745E-14 GRAD(Rho)x -0.8696584E-15 GRAD(Rho)y 0.2164935E-15 GRAD(Rho)z 0.8724605E-15 Laplacian 0.5551213E-01 (-1/4)Del**2(Rho)) -0.1387803E-01 Diamond 0.1329695E-02 Metallicity 0.7712079E+00 Ellipticity -0.7697499E+00 Gb(Abramov) 0.1103583E-01 Vb(Abramov) -0.8193626E-02 Hb(Abramov) 0.2842203E-02 Ex_ueg -0.2009133E-02 Ec_ueg -0.4554866E-03 Delta_ex -0.2468794E-02 Delta_ec 0.2660653E-03 Delta_et -0.2342065E-02 Pxc 0.4410959E+01 Qxc -0.9278902E+01 3,+3 144 3 +3 1.955204 0.008438 2.678121 Rho 0.1191153E-01 |GRAD(Rho)| 0.1246805E-14 GRAD(Rho)x -0.8701939E-15 GRAD(Rho)y 0.2079605E-15 GRAD(Rho)z -0.8683533E-15 Laplacian 0.5551213E-01 (-1/4)Del**2(Rho)) -0.1387803E-01 Diamond 0.1329695E-02 Metallicity 0.7712079E+00 Ellipticity -0.7697499E+00 Gb(Abramov) 0.1103583E-01 Vb(Abramov) -0.8193626E-02 Hb(Abramov) 0.2842203E-02 Ex_ueg -0.2009133E-02 Ec_ueg -0.4554866E-03 Delta_ex -0.2468794E-02 Delta_ec 0.2660653E-03 Delta_et -0.2342065E-02 Pxc 0.4410959E+01 Qxc -0.9278902E+01 3,+3 145 3 -1 1.728553 0.805770 1.605520 Rho 0.3576664E-01 |GRAD(Rho)| 0.5481796E-13 GRAD(Rho)x 0.3568877E-13 GRAD(Rho)y 0.4014356E-13 GRAD(Rho)z 0.1094599E-13 Laplacian 0.1380471E+00 (-1/4)Del**2(Rho)) -0.3451178E-01 Diamond 0.4276952E-01 Metallicity 0.1938129E+01 Ellipticity 0.3705502E-01 Gb(Abramov) 0.3415590E-01 Vb(Abramov) -0.3380002E-01 Hb(Abramov) 0.3558775E-03 Ex_ueg -0.8703406E-02 Ec_ueg -0.1644717E-02 Delta_ex -0.1034632E-01 Delta_ec 0.3929162E-02 Delta_et -0.3787259E-01 Pxc 0.5291736E+01 Qxc -0.2633213E+01 3,-1 146 3 +1 1.345744 0.722874 -2.283222 Rho 0.2554834E-01 |GRAD(Rho)| 0.6908768E-16 GRAD(Rho)x -0.7048085E-17 GRAD(Rho)y -0.1266249E-16 GRAD(Rho)z 0.6755067E-16 Laplacian 0.9826947E-01 (-1/4)Del**2(Rho)) -0.2456737E-01 Diamond 0.1317896E-01 Metallicity 0.1554052E+01 Ellipticity -0.3929533E+01 Gb(Abramov) 0.2274141E-01 Vb(Abramov) -0.2091545E-01 Hb(Abramov) 0.1825960E-02 Ex_ueg -0.5557361E-02 Ec_ueg -0.1116362E-02 Delta_ex -0.6140695E-02 Delta_ec 0.1655634E-02 Delta_et -0.1469480E-01 Pxc 0.4978101E+01 Qxc -0.3708970E+01 3,+1 147 3 +1 1.758076 -2.868570 0.000000 Rho 0.6897892E-02 |GRAD(Rho)| 0.8728618E-14 GRAD(Rho)x 0.5868972E-14 GRAD(Rho)y 0.6266664E-14 GRAD(Rho)z 0.1572531E-14 Laplacian 0.3079660E-01 (-1/4)Del**2(Rho)) -0.7699151E-02 Diamond 0.9829593E-03 Metallicity 0.5592908E+00 Ellipticity -0.1982024E+01 Gb(Abramov) 0.5850444E-02 Vb(Abramov) -0.4001738E-02 Hb(Abramov) 0.1848706E-02 Ex_ueg -0.9697808E-03 Ec_ueg -0.2294794E-03 Delta_ex -0.1556478E-02 Delta_ec 0.8354467E-03 Delta_et -0.5047511E-02 Pxc 0.4226004E+01 Qxc -0.1863049E+01 3,+1 148 3 +1 3.008424 0.071727 -0.173827 Rho 0.5293222E-02 |GRAD(Rho)| 0.9725400E-17 GRAD(Rho)x 0.3645750E-18 GRAD(Rho)y -0.9440539E-17 GRAD(Rho)z 0.2307966E-17 Laplacian 0.2144465E-01 (-1/4)Del**2(Rho)) -0.5361163E-02 Diamond 0.5542686E-03 Metallicity 0.5166079E+00 Ellipticity -0.4186398E+01 Gb(Abramov) 0.4035712E-02 Vb(Abramov) -0.2710261E-02 Hb(Abramov) 0.1325451E-02 Ex_ueg -0.6813107E-03 Ec_ueg -0.1595531E-03 Delta_ex -0.1090397E-02 Delta_ec 0.6973295E-03 Delta_et -0.3843561E-02 Pxc 0.4270119E+01 Qxc -0.1563676E+01 3,+1 149 3 +1 3.008424 0.071727 0.173827 Rho 0.5293222E-02 |GRAD(Rho)| 0.9184782E-17 GRAD(Rho)x 0.8892874E-18 GRAD(Rho)y -0.9126490E-17 GRAD(Rho)z -0.5258970E-18 Laplacian 0.2144465E-01 (-1/4)Del**2(Rho)) -0.5361163E-02 Diamond 0.5542686E-03 Metallicity 0.5166079E+00 Ellipticity -0.4186398E+01 Gb(Abramov) 0.4035712E-02 Vb(Abramov) -0.2710261E-02 Hb(Abramov) 0.1325451E-02 Ex_ueg -0.6813107E-03 Ec_ueg -0.1595531E-03 Delta_ex -0.1090397E-02 Delta_ec 0.6973295E-03 Delta_et -0.3843561E-02 Pxc 0.4270119E+01 Qxc -0.1563676E+01 3,+1 150 3 +1 2.191563 -0.210011 1.723901 Rho 0.2391367E-01 |GRAD(Rho)| 0.5128473E-16 GRAD(Rho)x -0.4808662E-16 GRAD(Rho)y 0.1555605E-16 GRAD(Rho)z 0.8706909E-17 Laplacian 0.9177008E-01 (-1/4)Del**2(Rho)) -0.2294252E-01 Diamond 0.1108077E-01 Metallicity 0.1490467E+01 Ellipticity -0.3291624E+01 Gb(Abramov) 0.2099419E-01 Vb(Abramov) -0.1904586E-01 Hb(Abramov) 0.1948330E-02 Ex_ueg -0.5088385E-02 Ec_ueg -0.1034176E-02 Delta_ex -0.5616197E-02 Delta_ec 0.1514102E-02 Delta_et -0.1323164E-01 Pxc 0.4920231E+01 Qxc -0.3709260E+01 3,+1 151 3 -1 3.017864 -0.801321 -1.989390 Rho 0.8282783E-01 |GRAD(Rho)| 0.1270955E-10 GRAD(Rho)x 0.5103433E-11 GRAD(Rho)y 0.1155875E-10 GRAD(Rho)z -0.1372195E-11 Laplacian 0.3335533E+00 (-1/4)Del**2(Rho)) -0.8338833E-01 Diamond 0.3264940E+00 Metallicity 0.3251435E+01 Ellipticity 0.8577173E-02 Gb(Abramov) 0.1007808E+00 Vb(Abramov) -0.1181734E+00 Hb(Abramov) -0.1739251E-01 Ex_ueg -0.2666573E-01 Ec_ueg -0.4297157E-02 Delta_ex -0.3104250E-01 Delta_ec 0.9532341E-02 Delta_et -0.1136940E+00 Pxc 0.6205435E+01 Qxc -0.3256546E+01 3,-1 152 3 -1 3.017864 -0.801321 1.989390 Rho 0.8282783E-01 |GRAD(Rho)| 0.1010899E-12 GRAD(Rho)x -0.4193917E-13 GRAD(Rho)y 0.8877339E-13 GRAD(Rho)z -0.2407384E-13 Laplacian 0.3335533E+00 (-1/4)Del**2(Rho)) -0.8338833E-01 Diamond 0.3264940E+00 Metallicity 0.3251435E+01 Ellipticity 0.8577173E-02 Gb(Abramov) 0.1007808E+00 Vb(Abramov) -0.1181734E+00 Hb(Abramov) -0.1739251E-01 Ex_ueg -0.2666573E-01 Ec_ueg -0.4297157E-02 Delta_ex -0.3104250E-01 Delta_ec 0.9532341E-02 Delta_et -0.1136940E+00 Pxc 0.6205435E+01 Qxc -0.3256546E+01 3,-1 153 3 -1 3.206505 2.362880 -2.235881 Rho 0.2318124E+00 |GRAD(Rho)| 0.1091095E-13 GRAD(Rho)x 0.1443507E-14 GRAD(Rho)y -0.5705072E-14 GRAD(Rho)z -0.9187882E-14 Laplacian 0.8410023E+00 (-1/4)Del**2(Rho)) -0.2102506E+00 Diamond 0.2862451E+01 Metallicity 0.7167655E+01 Ellipticity 0.5916366E-02 Gb(Abramov) 0.3913343E+00 Vb(Abramov) -0.5724180E+00 Hb(Abramov) -0.1810837E+00 Ex_ueg -0.1051721E+00 Ec_ueg -0.1387496E-01 Delta_ex -0.1007493E+00 Delta_ec 0.1886615E-01 Delta_et -0.2613887E+00 Pxc 0.7579992E+01 Qxc -0.5340218E+01 3,-1 154 3 -1 3.206505 2.362880 2.235881 Rho 0.2318124E+00 |GRAD(Rho)| 0.4552983E-14 GRAD(Rho)x -0.3375555E-14 GRAD(Rho)y -0.2217844E-14 GRAD(Rho)z 0.2101536E-14 Laplacian 0.8410023E+00 (-1/4)Del**2(Rho)) -0.2102506E+00 Diamond 0.2862451E+01 Metallicity 0.7167655E+01 Ellipticity 0.5916366E-02 Gb(Abramov) 0.3913343E+00 Vb(Abramov) -0.5724180E+00 Hb(Abramov) -0.1810837E+00 Ex_ueg -0.1051721E+00 Ec_ueg -0.1387496E-01 Delta_ex -0.1007493E+00 Delta_ec 0.1886615E-01 Delta_et -0.2613887E+00 Pxc 0.7579992E+01 Qxc -0.5340218E+01 3,-1 155 3 -1 3.036286 0.864878 -2.003256 Rho 0.1771075E+00 |GRAD(Rho)| 0.1679902E-15 GRAD(Rho)x -0.3873312E-16 GRAD(Rho)y -0.1557456E-15 GRAD(Rho)z 0.4963613E-16 Laplacian 0.6907174E+00 (-1/4)Del**2(Rho)) -0.1726793E+00 Diamond 0.1699446E+01 Metallicity 0.5572386E+01 Ellipticity 0.4421514E-01 Gb(Abramov) 0.2754922E+00 Vb(Abramov) -0.3783051E+00 Hb(Abramov) -0.1028129E+00 Ex_ueg -0.7345721E-01 Ec_ueg -0.1020082E-01 Delta_ex -0.7722803E-01 Delta_ec 0.1666516E-01 Delta_et -0.2260784E+00 Pxc 0.7201108E+01 Qxc -0.4634100E+01 3,-1 156 3 -1 3.036286 0.864878 2.003256 Rho 0.1771075E+00 |GRAD(Rho)| 0.1539713E-15 GRAD(Rho)x -0.1387237E-15 GRAD(Rho)y 0.5274644E-16 GRAD(Rho)z -0.4099639E-16 Laplacian 0.6907174E+00 (-1/4)Del**2(Rho)) -0.1726793E+00 Diamond 0.1699446E+01 Metallicity 0.5572386E+01 Ellipticity 0.4421514E-01 Gb(Abramov) 0.2754922E+00 Vb(Abramov) -0.3783051E+00 Hb(Abramov) -0.1028129E+00 Ex_ueg -0.7345721E-01 Ec_ueg -0.1020082E-01 Delta_ex -0.7722803E-01 Delta_ec 0.1666516E-01 Delta_et -0.2260784E+00 Pxc 0.7201108E+01 Qxc -0.4634100E+01 3,-1 157 3 -1 3.005361 0.072903 -0.000000 Rho 0.5305007E-02 |GRAD(Rho)| 0.9893703E-17 GRAD(Rho)x -0.2238707E-17 GRAD(Rho)y 0.9614311E-17 GRAD(Rho)z -0.6622586E-18 Laplacian 0.2117790E-01 (-1/4)Del**2(Rho)) -0.5294476E-02 Diamond 0.6106281E-03 Metallicity 0.5250575E+00 Ellipticity 0.5697363E+01 Gb(Abramov) 0.3992968E-02 Vb(Abramov) -0.2691460E-02 Hb(Abramov) 0.1301508E-02 Ex_ueg -0.6833340E-03 Ec_ueg -0.1600620E-03 Delta_ex -0.1130165E-02 Delta_ec 0.7830502E-03 Delta_et -0.4282230E-02 Pxc 0.4269182E+01 Qxc -0.1443285E+01 3,-1 158 3 -1 1.552190 -3.105197 0.000000 Rho 0.7117808E-02 |GRAD(Rho)| 0.3293093E-13 GRAD(Rho)x 0.2466249E-13 GRAD(Rho)y -0.2182219E-13 GRAD(Rho)z -0.3716537E-17 Laplacian 0.2877437E-01 (-1/4)Del**2(Rho)) -0.7193592E-02 Diamond 0.1393657E-02 Metallicity 0.6307411E+00 Ellipticity 0.6259403E+00 Gb(Abramov) 0.5551944E-02 Vb(Abramov) -0.3910295E-02 Hb(Abramov) 0.1641648E-02 Ex_ueg -0.1011223E-02 Ec_ueg -0.2391591E-03 Delta_ex -0.1716536E-02 Delta_ec 0.1231459E-02 Delta_et -0.7309088E-02 Pxc 0.4228243E+01 Qxc -0.1393904E+01 3,-1 159 3 -1 0.501640 -0.056690 -2.416738 Rho 0.5214994E-01 |GRAD(Rho)| 0.9897841E-17 GRAD(Rho)x 0.8631901E-17 GRAD(Rho)y -0.1580352E-17 GRAD(Rho)z -0.4578213E-17 Laplacian 0.2070649E+00 (-1/4)Del**2(Rho)) -0.5176623E-01 Diamond 0.1106233E+00 Metallicity 0.2422496E+01 Ellipticity 0.1663914E-01 Gb(Abramov) 0.5541140E-01 Vb(Abramov) -0.5905657E-01 Hb(Abramov) -0.3645167E-02 Ex_ueg -0.1438987E-01 Ec_ueg -0.2534055E-02 Delta_ex -0.1720449E-01 Delta_ec 0.6129457E-02 Delta_et -0.6533357E-01 Pxc 0.5678594E+01 Qxc -0.2806854E+01 3,-1 160 3 -1 0.501640 -0.056690 2.416738 Rho 0.5214994E-01 |GRAD(Rho)| 0.2908525E-16 GRAD(Rho)x 0.2837984E-16 GRAD(Rho)y -0.5396844E-17 GRAD(Rho)z 0.3377967E-17 Laplacian 0.2070649E+00 (-1/4)Del**2(Rho)) -0.5176623E-01 Diamond 0.1106233E+00 Metallicity 0.2422496E+01 Ellipticity 0.1663914E-01 Gb(Abramov) 0.5541140E-01 Vb(Abramov) -0.5905657E-01 Hb(Abramov) -0.3645167E-02 Ex_ueg -0.1438987E-01 Ec_ueg -0.2534055E-02 Delta_ex -0.1720449E-01 Delta_ec 0.6129457E-02 Delta_et -0.6533357E-01 Pxc 0.5678594E+01 Qxc -0.2806854E+01 3,-1 161 3 -1 0.397279 -0.100024 -0.660701 Rho 0.1753667E+00 |GRAD(Rho)| 0.1651491E-12 GRAD(Rho)x -0.9900067E-13 GRAD(Rho)y 0.9362628E-15 GRAD(Rho)z 0.1321825E-12 Laplacian 0.4468727E+00 (-1/4)Del**2(Rho)) -0.1117182E+00 Diamond 0.1120960E+01 Metallicity 0.8472430E+01 Ellipticity 0.4494793E-02 Gb(Abramov) 0.2322328E+00 Vb(Abramov) -0.3527475E+00 Hb(Abramov) -0.1205147E+00 Ex_ueg -0.7249610E-01 Ec_ueg -0.1008667E-01 Delta_ex -0.5011876E-01 Delta_ec 0.1130711E-01 Delta_et -0.1546726E+00 Pxc 0.7187317E+01 Qxc -0.4432498E+01 3,-1 162 3 -1 0.397279 -0.100024 0.660701 Rho 0.1753667E+00 |GRAD(Rho)| 0.2324588E-15 GRAD(Rho)x 0.0000000E+00 GRAD(Rho)y 0.1653408E-17 GRAD(Rho)z 0.2324529E-15 Laplacian 0.4468727E+00 (-1/4)Del**2(Rho)) -0.1117182E+00 Diamond 0.1120960E+01 Metallicity 0.8472430E+01 Ellipticity 0.4494793E-02 Gb(Abramov) 0.2322328E+00 Vb(Abramov) -0.3527475E+00 Hb(Abramov) -0.1205147E+00 Ex_ueg -0.7249610E-01 Ec_ueg -0.1008667E-01 Delta_ex -0.5011876E-01 Delta_ec 0.1130711E-01 Delta_et -0.1546726E+00 Pxc 0.7187317E+01 Qxc -0.4432498E+01 3,-1 163 3 -1 1.814555 2.361467 -1.566073 Rho 0.1372056E+00 |GRAD(Rho)| 0.9913641E-13 GRAD(Rho)x 0.5379892E-14 GRAD(Rho)y 0.4835673E-13 GRAD(Rho)z 0.8637541E-13 Laplacian 0.5795058E+00 (-1/4)Del**2(Rho)) -0.1448764E+00 Diamond 0.1049753E+01 Metallicity 0.4340185E+01 Ellipticity 0.1028434E-01 Gb(Abramov) 0.2013827E+00 Vb(Abramov) -0.2578890E+00 Hb(Abramov) -0.5650628E-01 Ex_ueg -0.5226537E-01 Ec_ueg -0.7629586E-02 Delta_ex -0.6083235E-01 Delta_ec 0.1492135E-01 Delta_et -0.1958368E+00 Pxc 0.6850354E+01 Qxc -0.4076865E+01 3,-1 164 3 -1 1.814555 2.361467 1.566073 Rho 0.1372056E+00 |GRAD(Rho)| 0.9921399E-13 GRAD(Rho)x 0.5361448E-14 GRAD(Rho)y 0.4839128E-13 GRAD(Rho)z -0.8644626E-13 Laplacian 0.5795058E+00 (-1/4)Del**2(Rho)) -0.1448764E+00 Diamond 0.1049753E+01 Metallicity 0.4340185E+01 Ellipticity 0.1028434E-01 Gb(Abramov) 0.2013827E+00 Vb(Abramov) -0.2578890E+00 Hb(Abramov) -0.5650628E-01 Ex_ueg -0.5226537E-01 Ec_ueg -0.7629586E-02 Delta_ex -0.6083235E-01 Delta_ec 0.1492135E-01 Delta_et -0.1958368E+00 Pxc 0.6850354E+01 Qxc -0.4076865E+01 3,-1 165 3 -1 1.975799 -2.558516 -1.684418 Rho 0.2318865E+00 |GRAD(Rho)| 0.1354155E-13 GRAD(Rho)x -0.7379893E-14 GRAD(Rho)y -0.6164448E-14 GRAD(Rho)z -0.9534691E-14 Laplacian 0.8948690E+00 (-1/4)Del**2(Rho)) -0.2237173E+00 Diamond 0.3004564E+01 Metallicity 0.6739784E+01 Ellipticity 0.9410200E-02 Gb(Abramov) 0.4004458E+00 Vb(Abramov) -0.5771744E+00 Hb(Abramov) -0.1767286E+00 Ex_ueg -0.1052169E+00 Ec_ueg -0.1388005E-01 Delta_ex -0.1069750E+00 Delta_ec 0.1965082E-01 Delta_et -0.2704906E+00 Pxc 0.7580442E+01 Qxc -0.5443796E+01 3,-1 166 3 -1 1.975799 -2.558516 1.684418 Rho 0.2318865E+00 |GRAD(Rho)| 0.1297417E-13 GRAD(Rho)x -0.6438426E-14 GRAD(Rho)y -0.5698133E-14 GRAD(Rho)z 0.9716322E-14 Laplacian 0.8948690E+00 (-1/4)Del**2(Rho)) -0.2237173E+00 Diamond 0.3004564E+01 Metallicity 0.6739784E+01 Ellipticity 0.9410200E-02 Gb(Abramov) 0.4004458E+00 Vb(Abramov) -0.5771744E+00 Hb(Abramov) -0.1767286E+00 Ex_ueg -0.1052169E+00 Ec_ueg -0.1388005E-01 Delta_ex -0.1069750E+00 Delta_ec 0.1965082E-01 Delta_et -0.2704906E+00 Pxc 0.7580442E+01 Qxc -0.5443796E+01 3,-1 167 3 -1 2.006712 1.532457 -2.719190 Rho 0.1455670E+00 |GRAD(Rho)| 0.2979521E-13 GRAD(Rho)x 0.1097405E-13 GRAD(Rho)y 0.4224235E-14 GRAD(Rho)z 0.2737665E-13 Laplacian 0.5706316E+00 (-1/4)Del**2(Rho)) -0.1426579E+00 Diamond 0.1115442E+01 Metallicity 0.4864396E+01 Ellipticity 0.4403054E-01 Gb(Abramov) 0.2107627E+00 Vb(Abramov) -0.2788675E+00 Hb(Abramov) -0.6810478E-01 Ex_ueg -0.5655473E-01 Ec_ueg -0.8160345E-02 Delta_ex -0.6083094E-01 Delta_ec 0.1458574E-01 Delta_et -0.1933409E+00 Pxc 0.6930434E+01 Qxc -0.4170575E+01 3,-1 168 3 -1 2.006712 1.532457 2.719190 Rho 0.1455670E+00 |GRAD(Rho)| 0.4922608E-13 GRAD(Rho)x 0.3032083E-13 GRAD(Rho)y 0.1217835E-13 GRAD(Rho)z -0.3681769E-13 Laplacian 0.5706316E+00 (-1/4)Del**2(Rho)) -0.1426579E+00 Diamond 0.1115442E+01 Metallicity 0.4864396E+01 Ellipticity 0.4403054E-01 Gb(Abramov) 0.2107627E+00 Vb(Abramov) -0.2788675E+00 Hb(Abramov) -0.6810478E-01 Ex_ueg -0.5655473E-01 Ec_ueg -0.8160345E-02 Delta_ex -0.6083094E-01 Delta_ec 0.1458574E-01 Delta_et -0.1933409E+00 Pxc 0.6930434E+01 Qxc -0.4170575E+01 3,-1 169 3 -1 3.330191 -2.265808 -2.226944 Rho 0.2248756E+00 |GRAD(Rho)| 0.2210858E-10 GRAD(Rho)x 0.1788012E-10 GRAD(Rho)y -0.9969698E-11 GRAD(Rho)z -0.8348387E-11 Laplacian 0.8255344E+00 (-1/4)Del**2(Rho)) -0.2063836E+00 Diamond 0.2707830E+01 Metallicity 0.6941422E+01 Ellipticity 0.1750323E-01 Gb(Abramov) 0.3763550E+00 Vb(Abramov) -0.5463264E+00 Hb(Abramov) -0.1699714E+00 Ex_ueg -0.1009969E+00 Ec_ueg -0.1339987E-01 Delta_ex -0.9811328E-01 Delta_ec 0.1867078E-01 Delta_et -0.2582478E+00 Pxc 0.7537154E+01 Qxc -0.5254909E+01 3,-1 170 3 -1 2.804629 -1.692135 -0.871304 Rho 0.1375112E+00 |GRAD(Rho)| 0.9836655E-12 GRAD(Rho)x 0.2319928E-12 GRAD(Rho)y 0.1366864E-12 GRAD(Rho)z 0.9460941E-12 Laplacian 0.5620732E+00 (-1/4)Del**2(Rho)) -0.1405183E+00 Diamond 0.1030065E+01 Metallicity 0.4491423E+01 Ellipticity 0.8321546E-02 Gb(Abramov) 0.1988667E+00 Vb(Abramov) -0.2572151E+00 Hb(Abramov) -0.5834841E-01 Ex_ueg -0.5242068E-01 Ec_ueg -0.7648911E-02 Delta_ex -0.5913686E-01 Delta_ec 0.1464769E-01 Delta_et -0.1926842E+00 Pxc 0.6853352E+01 Qxc -0.4037282E+01 3,-1 171 3 -1 2.804629 -1.692135 0.871304 Rho 0.1375112E+00 |GRAD(Rho)| 0.1814423E-13 GRAD(Rho)x 0.1361510E-13 GRAD(Rho)y 0.5897450E-15 GRAD(Rho)z 0.1197892E-13 Laplacian 0.5620732E+00 (-1/4)Del**2(Rho)) -0.1405183E+00 Diamond 0.1030065E+01 Metallicity 0.4491423E+01 Ellipticity 0.8321546E-02 Gb(Abramov) 0.1988667E+00 Vb(Abramov) -0.2572151E+00 Hb(Abramov) -0.5834841E-01 Ex_ueg -0.5242068E-01 Ec_ueg -0.7648911E-02 Delta_ex -0.5913686E-01 Delta_ec 0.1464769E-01 Delta_et -0.1926842E+00 Pxc 0.6853352E+01 Qxc -0.4037282E+01 3,-1 172 3 -1 3.330191 -2.265808 2.226944 Rho 0.2248756E+00 |GRAD(Rho)| 0.2210839E-10 GRAD(Rho)x 0.1787814E-10 GRAD(Rho)y -0.9972494E-11 GRAD(Rho)z 0.8348799E-11 Laplacian 0.8255344E+00 (-1/4)Del**2(Rho)) -0.2063836E+00 Diamond 0.2707830E+01 Metallicity 0.6941422E+01 Ellipticity 0.1750323E-01 Gb(Abramov) 0.3763550E+00 Vb(Abramov) -0.5463264E+00 Hb(Abramov) -0.1699714E+00 Ex_ueg -0.1009969E+00 Ec_ueg -0.1339987E-01 Delta_ex -0.9811328E-01 Delta_ec 0.1867078E-01 Delta_et -0.2582478E+00 Pxc 0.7537154E+01 Qxc -0.5254909E+01 3,-1 173 3 -1 2.811668 1.727484 -0.882489 Rho 0.1372425E+00 |GRAD(Rho)| 0.1131120E-11 GRAD(Rho)x 0.4369363E-12 GRAD(Rho)y -0.1713563E-12 GRAD(Rho)z 0.1029153E-11 Laplacian 0.5715363E+00 (-1/4)Del**2(Rho)) -0.1428841E+00 Diamond 0.1040794E+01 Metallicity 0.4402681E+01 Ellipticity 0.1334392E-01 Gb(Abramov) 0.2001016E+00 Vb(Abramov) -0.2573190E+00 Hb(Abramov) -0.5721747E-01 Ex_ueg -0.5228415E-01 Ec_ueg -0.7631923E-02 Delta_ex -0.6005738E-01 Delta_ec 0.1481816E-01 Delta_et -0.1947002E+00 Pxc 0.6850717E+01 Qxc -0.4052958E+01 3,-1 174 3 -1 2.811668 1.727484 0.882489 Rho 0.1372425E+00 |GRAD(Rho)| 0.5274583E-14 GRAD(Rho)x -0.5209456E-15 GRAD(Rho)y 0.4420611E-14 GRAD(Rho)z 0.2829849E-14 Laplacian 0.5715363E+00 (-1/4)Del**2(Rho)) -0.1428841E+00 Diamond 0.1040794E+01 Metallicity 0.4402681E+01 Ellipticity 0.1334392E-01 Gb(Abramov) 0.2001016E+00 Vb(Abramov) -0.2573190E+00 Hb(Abramov) -0.5721747E-01 Ex_ueg -0.5228415E-01 Ec_ueg -0.7631923E-02 Delta_ex -0.6005738E-01 Delta_ec 0.1481816E-01 Delta_et -0.1947002E+00 Pxc 0.6850717E+01 Qxc -0.4052958E+01 3,-1 175 3 -1 -0.051162 -0.028851 4.500328 Rho 0.2306728E+00 |GRAD(Rho)| 0.1420653E-14 GRAD(Rho)x 0.2186565E-15 GRAD(Rho)y 0.1816039E-16 GRAD(Rho)z -0.1403608E-14 Laplacian 0.8575106E+00 (-1/4)Del**2(Rho)) -0.2143776E+00 Diamond 0.2884720E+01 Metallicity 0.6972163E+01 Ellipticity 0.3207992E-02 Gb(Abramov) 0.3920311E+00 Vb(Abramov) -0.5696845E+00 Hb(Abramov) -0.1776534E+00 Ex_ueg -0.1044833E+00 Ec_ueg -0.1379673E-01 Delta_ex -0.1025020E+00 Delta_ec 0.1909710E-01 Delta_et -0.2638313E+00 Pxc 0.7573046E+01 Qxc -0.5367412E+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 75 160 118 116 137 130 175 162 115 161 120 159 114 119 129 138 123 117 128 127 113 112 124 139 171 166 152 134 172 142 173 163 155 167 153 93 78 92 62 97 61 55 71 88 68 77 69 54 70 84 67 76 66 94 79 91 63 100 64 145 174 164 156 168 154 141 170 165 151 131 169 58 157 158 105 106 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 17 18 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 19 20 28 36 37 2.354019 1.870711 1.898080 2.000471 1.986074 1.758170 1.725602 1.691607 1.725602 1.719798 2.354019 1.898080 1.870711 1.986074 2.000471 1.758170 2.406910 1.955463 1.955463 1.897106 1.897106 1.759881 2.426192 1.948194 1.756270 2.163977 1.963944 1.768397 2.513326 1.948443 1.949093 1.860634 1.935876 1.756671 2.426314 1.911915 2.067492 1.981836 2.081266 1.806580 2.354197 2.045904 2.025288 1.963103 1.774996 1.770149 2.354197 2.045904 2.025288 1.963103 1.774996 1.770149 2.426314 1.911915 2.067492 1.981836 2.081266 1.806580 2.513326 1.948443 1.949093 1.860634 1.935876 1.756671 2.426192 1.948194 1.756270 2.163977 1.963944 1.768397 3.265294 3.283811 3.057873 3.374027 3.374027 2.355576 1.871006 1.898607 2.001035 1.986670 1.758179 1.725622 1.691685 1.725621 1.719810 2.355579 1.898608 1.871004 1.986672 2.001042 1.758179 2.409122 1.955887 1.955888 1.897526 1.897527 1.759894 2.427821 1.948589 1.756300 2.164482 1.964486 1.768421 2.514802 1.948861 1.949524 1.861035 1.936383 1.756685 2.427895 1.912169 2.067655 1.982109 2.081556 1.806594 2.356598 2.046169 2.025650 1.963669 1.775094 1.770168 2.356597 2.046170 2.025650 1.963669 1.775094 1.770169 2.427893 1.912170 2.067652 1.982109 2.081554 1.806593 2.514800 1.948860 1.949522 1.861035 1.936382 1.756683 2.427824 1.948590 1.756301 2.164482 1.964486 1.768421 3.288257 3.285563 3.067484 3.374935 3.374933 32 24 24 26 23 21 21 23 21 20 30 28 24 23 27 22 27 25 25 26 26 23 29 23 22 28 25 23 30 23 23 24 23 25 31 26 31 27 28 25 31 26 26 26 24 24 30 27 26 27 24 24 31 26 27 26 28 27 32 23 23 24 23 24 29 23 22 29 24 22 35 35 35 37 37 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 As W W W W Ta W W Ta 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 2.4257 2.4575 2.4257 2.4296 2.3193 2.4106 2.1767 2.3302 2.3302 2.1767 2.4106 2.3193 -1.1107 -1.0075 -1.1107 -1.1033 -1.0043 -0.9951 -1.0043 -0.9768 -0.7937 -0.9755 -0.9747 -0.9656 -0.9656 -0.9747 -0.9755 -0.7937 -0.9758 -1.0150 -0.9758 -1.0483 -0.9947 -1.0117 -1.0035 -0.8481 -0.8481 -1.0035 -1.0117 -0.9947 -0.8548 -0.8807 -0.8548 -0.8648 -0.8807 -0.8563 -0.9716 -0.8790 -0.8790 -0.9716 -0.8563 2.1035 0.8522 2.1035 2.1040 2.1357 2.1029 2.1124 2.1394 2.1394 2.1124 2.1029 2.1357 1.9364 1.9498 1.9364 1.9330 1.9261 1.9282 1.9261 1.9276 1.9598 1.9283 1.9289 1.9310 1.9310 1.9289 1.9283 1.9598 1.9401 1.9344 1.9401 1.9287 1.9353 1.9353 1.9360 1.9482 1.9482 1.9360 1.9353 1.9353 1.9554 1.9506 1.9554 1.9528 1.9506 1.9548 1.9365 1.9482 1.9482 1.9365 1.9548 6.1003 1.1488 6.1003 6.0921 6.1193 6.0996 6.0782 6.1151 6.1151 6.0782 6.0996 6.1193 5.1381 5.0206 5.1381 5.1352 5.0532 5.0383 5.0532 5.0203 4.7998 5.0190 5.0170 5.0063 5.0063 5.0170 5.0190 4.7998 5.0068 5.0503 5.0068 5.0936 5.0295 5.0474 5.0396 4.8702 4.8702 5.0396 5.0474 5.0295 4.8673 4.8994 4.8673 4.8802 4.8994 4.8691 5.0103 4.9003 4.9003 5.0103 4.8691 3.3408 10.5415 3.3408 3.3444 3.3971 3.3574 2.5981 3.3861 3.3861 2.5981 3.3574 3.3971 0.0362 0.0371 0.0362 0.0351 0.0249 0.0286 0.0249 0.0289 0.0341 0.0282 0.0287 0.0284 0.0284 0.0287 0.0282 0.0341 0.0289 0.0303 0.0289 0.0260 0.0299 0.0289 0.0280 0.0297 0.0297 0.0280 0.0289 0.0299 0.0321 0.0307 0.0321 0.0318 0.0307 0.0324 0.0248 0.0305 0.0305 0.0248 0.0324 14.0297 0.0000 14.0297 14.0299 14.0286 14.0296 14.0346 14.0292 14.0292 14.0346 14.0296 14.0286 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 As W W W W Ta W W Ta 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 2.498899 2.311075 2.498899 2.500792 2.465163 2.494029 2.348821 2.492554 2.492554 2.348821 2.494029 2.465163 -1.085506 -1.028059 -1.085506 -1.096287 -1.044217 -1.001014 -1.044217 -0.993168 -0.865044 -0.997544 -0.988006 -0.997832 -0.997832 -0.988006 -0.997544 -0.865044 -0.991482 -0.998310 -0.991482 -1.065573 -0.994778 -1.002719 -1.015329 -0.910583 -0.910583 -1.015329 -1.002719 -0.994778 -0.904763 -0.939871 -0.904763 -0.918828 -0.939871 -0.906803 -1.069169 -0.941133 -0.941133 -1.069169 -0.906803 1.927026 1.746566 1.927026 1.927785 1.928182 1.919871 1.824879 1.940059 1.940059 1.824879 1.919871 1.928182 -0.709241 -0.698180 -0.709241 -0.722063 -0.792843 -0.730277 -0.792843 -0.743773 -0.763289 -0.735440 -0.740881 -0.771280 -0.771280 -0.740881 -0.735440 -0.763289 -0.847541 -0.827611 -0.847541 -0.914604 -0.832428 -0.829086 -0.866586 -0.831605 -0.831605 -0.866586 -0.829086 -0.832428 -0.827192 -0.869853 -0.827192 -0.842832 -0.869853 -0.829228 -1.015477 -0.875552 -0.875552 -1.015477 -0.829228 2.032546 1.695611 2.032546 2.032718 2.024946 2.032562 1.948313 2.052527 2.052527 1.948313 2.032562 2.024946 -0.785723 -0.746759 -0.785723 -0.792643 -0.890016 -0.831748 -0.890016 -0.842810 -0.767741 -0.824406 -0.831821 -0.836198 -0.836198 -0.831821 -0.824406 -0.767741 -0.865665 -0.874940 -0.865665 -0.964550 -0.864847 -0.882367 -0.892917 -0.813532 -0.813532 -0.892917 -0.882367 -0.864847 -0.789108 -0.842461 -0.789108 -0.807632 -0.842461 -0.794422 -0.987406 -0.855887 -0.855887 -0.987406 -0.794422 9.98604458 -2.94552866 0.00000000 10.41139883 -37.92509945 17.17289572 -0.00000000 30.25392200 0.00000000 7.67117745 -368.3445 412.5260 7.8269 -417.2630 -96.5081 -461.7627 Jun19-2024 12:47:20 Nodes: 1 Procs: 1 Jun19-2024 12:47:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:47:27 Nodes: 1 Procs: 1 Jun19-2024 12:47:29 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:47:33 Nodes: 1 Procs: 1 Jun19-2024 12:47:36 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:47:38 Nodes: 1 Procs: 1 Jun19-2024 12:47:40 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 12:47:46 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -16.44869111 -16.82121505 -16.81469891 -16.75526610 -16.87730501 -16.93804038 -16.95609702 -16.95961752 -16.96482672 -16.96619170 -16.96801480 -16.96858576 -16.96919729 -16.96940915 -16.96947539 -16.96948434 -16.96947155 -16.96946560 GEOMETRY CONVERGED