ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 00:24:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.03 0.39 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar28-2024 00:24:06 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 00:24:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.62 0.04 0.70 1 2 3 4 5 1 2 3 4 1 2 3 2.000 2.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 -70.348 -4.706 1.094 14.838 117.594 -43.980 -0.956 23.495 177.742 -5.162 7.884 88.247 S S S S S P P P P D D D S P D S P S D S P D S P 1 1 1 2 2 3 2 4 3 3 5 4 2.00 6.00 3.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -70.3477 -43.9800 -5.1622 -4.7064 -0.9562 1.0935 7.8841 14.8384 23.4949 88.2471 117.5944 177.7416 1 V -0.0000 4.0000 6.0000 3.0000 0.0000 Mar28-2024 00:24:06 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 0 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 00:24:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.40 0.03 0.47 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 Mar28-2024 00:24:06 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 0 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 00:24:09 Hydrogen (TZP) kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 kimik2221 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.15 0.06 1.26 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 Mar28-2024 00:24:06 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 0 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar28-2024 00:24:09 Nodes: 1 Procs: 1 Mar28-2024 00:24:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar28-2024 00:24:12 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2896.9975000000054 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287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.800 -7.775 -7.642 -7.612 -7.604 -7.593 -7.587 -7.582 -7.296 -7.292 -4.582 -4.553 -4.534 -4.481 -4.234 -4.208 -4.149 -4.103 -3.873 -3.531 A A A A A A A A A A A A A A A A A A A A 0.00000000069123 0.00056451204594 0.00036700613631 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 74 74 74 74 74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 23 1 0.114774 -2.541064 2.562467 -0.080343 -2.572028 -2.532813 0.145242 2.544023 -2.563967 -0.098231 2.556100 2.553612 2.570173 -2.549176 0.135860 2.561558 2.556873 -0.108965 -2.512382 2.512667 0.103719 -2.544832 -2.543915 -0.104314 -2.510637 -0.148239 -2.583856 -2.551560 0.115911 2.557927 2.559147 -0.101623 2.565758 2.569495 0.101408 -2.540449 0.977929 -0.961127 0.991271 -0.963548 -0.976367 -0.991934 0.988415 0.981341 -0.985895 -1.013856 1.021475 0.938268 -2.984791 -1.130753 1.142431 3.000686 -1.145857 -1.130286 -2.957116 1.154400 -1.112640 2.986740 1.160402 1.161304 1.157532 -1.149937 -2.978614 1.137586 1.163997 3.000651 -1.132275 1.143752 -2.975739 -1.145626 -1.123048 2.991708 -1.132737 2.977839 -1.122948 -1.140622 -2.976679 1.152708 1.132195 2.993894 1.134785 1.165617 -2.998621 -1.131445 3.422157 -1.501951 1.535675 -3.397675 -1.499291 -1.516319 3.421329 1.517083 -1.508232 -3.409182 1.530420 1.494464 1.511952 -1.495112 3.424876 1.530465 1.513344 -3.420738 -1.523532 1.536524 3.397931 -1.498950 -1.528222 -3.432577 -1.505083 -3.406897 -1.512527 -1.538034 3.405858 1.477947 1.521955 -3.401370 1.533904 1.522876 3.417053 -1.517639 -0.218443 -3.728828 3.759438 0.249312 -3.767127 -3.723269 -0.208093 3.744007 -3.742470 0.206018 3.772864 3.727496 3.767169 -3.740710 -0.182228 3.747830 3.756003 0.222061 -3.786878 3.810212 -0.244529 -3.742668 -3.733821 0.218176 -3.719994 0.216183 -3.749030 -3.754269 -0.200826 3.743324 3.745340 0.232195 3.763871 3.765588 -0.228739 -3.730006 0.003383 0.009692 -0.002686 -4.375728 3.821456 -1.030422 1 3 -3 0.114774 -2.541064 2.562467 Rho 0.4361414E+07 3,-3 2 3 -3 -0.080343 -2.572028 -2.532813 Rho 0.4361414E+07 3,-3 3 3 -3 0.145242 2.544023 -2.563967 Rho 0.4361414E+07 3,-3 4 3 -3 -0.098231 2.556100 2.553612 Rho 0.4361414E+07 3,-3 5 3 -3 2.570173 -2.549176 0.135860 Rho 0.4361414E+07 3,-3 6 3 -3 2.561558 2.556873 -0.108965 Rho 0.4361414E+07 3,-3 7 3 -3 -2.512382 2.512667 0.103719 Rho 0.4361413E+07 3,-3 8 3 -3 -2.544832 -2.543915 -0.104314 Rho 0.4361414E+07 3,-3 9 3 -3 -2.510637 -0.148239 -2.583856 Rho 0.4361414E+07 3,-3 10 3 -3 -2.551560 0.115911 2.557927 Rho 0.4361414E+07 3,-3 11 3 -3 2.559147 -0.101623 2.565758 Rho 0.4361414E+07 3,-3 12 3 -3 2.569495 0.101408 -2.540449 Rho 0.4361414E+07 3,-3 13 3 -3 0.977929 -0.961127 0.991271 Rho 0.3191077E+03 3,-3 14 3 -3 -0.963548 -0.976367 -0.991934 Rho 0.3190990E+03 3,-3 15 3 -3 0.988415 0.981341 -0.985895 Rho 0.3191023E+03 3,-3 16 3 -3 -1.013856 1.021475 0.938268 Rho 0.3190567E+03 3,-3 17 3 -3 -2.984791 -1.130753 1.142431 Rho 0.3188745E+03 3,-3 18 3 -3 3.000686 -1.145857 -1.130286 Rho 0.3188732E+03 3,-3 19 3 -3 -2.957116 1.154400 -1.112640 Rho 0.3189480E+03 3,-3 20 3 -3 2.986740 1.160402 1.161304 Rho 0.3188737E+03 3,-3 21 3 -3 1.157532 -1.149937 -2.978614 Rho 0.3188751E+03 3,-3 22 3 -3 1.137586 1.163997 3.000651 Rho 0.3188744E+03 3,-3 23 3 -3 -1.132275 1.143752 -2.975739 Rho 0.3188712E+03 3,-3 24 3 -3 -1.145626 -1.123048 2.991708 Rho 0.3188729E+03 3,-3 25 3 -3 -1.132737 2.977839 -1.122948 Rho 0.3189140E+03 3,-3 26 3 -3 -1.140622 -2.976679 1.152708 Rho 0.3188736E+03 3,-3 27 3 -3 1.132195 2.993894 1.134785 Rho 0.3188750E+03 3,-3 28 3 -3 1.165617 -2.998621 -1.131445 Rho 0.3188736E+03 3,-3 29 3 -3 3.422157 -1.501951 1.535675 Rho 0.3189915E+03 3,-3 30 3 -3 -3.397675 -1.499291 -1.516319 Rho 0.3189956E+03 3,-3 31 3 -3 3.421329 1.517083 -1.508232 Rho 0.3189932E+03 3,-3 32 3 -3 -3.409182 1.530420 1.494464 Rho 0.3190169E+03 3,-3 33 3 -3 1.511952 -1.495112 3.424876 Rho 0.3189941E+03 3,-3 34 3 -3 1.530465 1.513344 -3.420738 Rho 0.3189963E+03 3,-3 35 3 -3 -1.523532 1.536524 3.397931 Rho 0.3189908E+03 3,-3 36 3 -3 -1.498950 -1.528222 -3.432577 Rho 0.3189993E+03 3,-3 37 3 -3 -1.505083 -3.406897 -1.512527 Rho 0.3189931E+03 3,-3 38 3 -3 -1.538034 3.405858 1.477947 Rho 0.3190321E+03 3,-3 39 3 -3 1.521955 -3.401370 1.533904 Rho 0.3189924E+03 3,-3 40 3 -3 1.522876 3.417053 -1.517639 Rho 0.3189963E+03 3,-3 41 3 -3 -0.218443 -3.728828 3.759438 Rho 0.3194375E+03 3,-3 42 3 -3 0.249312 -3.767127 -3.723269 Rho 0.3194389E+03 3,-3 43 3 -3 -0.208093 3.744007 -3.742470 Rho 0.3194433E+03 3,-3 44 3 -3 0.206018 3.772864 3.727496 Rho 0.3194459E+03 3,-3 45 3 -3 3.767169 -3.740710 -0.182228 Rho 0.3194398E+03 3,-3 46 3 -3 3.747830 3.756003 0.222061 Rho 0.3194368E+03 3,-3 47 3 -3 -3.786878 3.810212 -0.244529 Rho 0.3186871E+03 3,-3 48 3 -3 -3.742668 -3.733821 0.218176 Rho 0.3194369E+03 3,-3 49 3 -3 -3.719994 0.216183 -3.749030 Rho 0.3194467E+03 3,-3 50 3 -3 -3.754269 -0.200826 3.743324 Rho 0.3194425E+03 3,-3 51 3 -3 3.745340 0.232195 3.763871 Rho 0.3194388E+03 3,-3 52 3 -3 3.765588 -0.228739 -3.730006 Rho 0.3194379E+03 3,-3 53 3 -3 0.003383 0.009692 -0.002686 Rho 0.1070768E+05 3,-3 54 3 -3 -4.375728 3.821456 -1.030422 Rho 0.4411845E+00 3,-3 55 3 +3 0.021474 0.002996 -2.324043 Rho 0.5059646E-02 |GRAD(Rho)| 0.8586458E-12 GRAD(Rho)x -0.8776273E-13 GRAD(Rho)y 0.8472408E-12 GRAD(Rho)z -0.1084131E-12 Laplacian 0.2027809E-01 (-1/4)Del**2(Rho)) -0.5069523E-02 Diamond 0.2086275E-03 Metallicity 0.5067413E+00 Ellipticity -0.3482325E+00 Gb(Abramov) 0.3807838E-02 Vb(Abramov) -0.2546153E-02 Hb(Abramov) 0.1261685E-02 Ex_ueg -0.6415226E-03 Ec_ueg -0.1494805E-03 Delta_ex -0.7620402E-03 Delta_ec 0.1949071E-03 Delta_et -0.1241409E-02 Pxc 0.4291680E+01 Qxc -0.3909762E+01 3,+3 56 3 +1 -1.652652 0.464298 -0.526863 Rho 0.9261298E-02 |GRAD(Rho)| 0.1824505E-16 GRAD(Rho)x -0.1303499E-16 GRAD(Rho)y 0.1270668E-16 GRAD(Rho)z -0.1229268E-17 Laplacian 0.3522897E-01 (-1/4)Del**2(Rho)) -0.8807242E-02 Diamond 0.9446475E-03 Metallicity 0.7989134E+00 Ellipticity -0.1397220E+01 Gb(Abramov) 0.7044198E-02 Vb(Abramov) -0.5281155E-02 Hb(Abramov) 0.1763043E-02 Ex_ueg -0.1436418E-02 Ec_ueg -0.3346647E-03 Delta_ex -0.1599825E-02 Delta_ec 0.4240589E-03 Delta_et -0.3010856E-02 Pxc 0.4292112E+01 Qxc -0.3772647E+01 3,+1 57 3 -1 -1.748294 0.575992 1.714092 Rho 0.4534742E-01 |GRAD(Rho)| 0.5577690E-15 GRAD(Rho)x 0.3814880E-15 GRAD(Rho)y -0.8526996E-16 GRAD(Rho)z -0.3978721E-15 Laplacian 0.1828455E+00 (-1/4)Del**2(Rho)) -0.4571138E-01 Diamond 0.7905914E-01 Metallicity 0.2173284E+01 Ellipticity 0.1126726E-01 Gb(Abramov) 0.4703155E-01 Vb(Abramov) -0.4835172E-01 Hb(Abramov) -0.1320172E-02 Ex_ueg -0.1194323E-01 Ec_ueg -0.2159358E-02 Delta_ex -0.1458280E-01 Delta_ec 0.5267460E-02 Delta_et -0.5409743E-01 Pxc 0.5530918E+01 Qxc -0.2768468E+01 3,-1 58 3 +1 0.510936 -1.663618 -0.485318 Rho 0.8663830E-02 |GRAD(Rho)| 0.2210040E-10 GRAD(Rho)x 0.6507080E-11 GRAD(Rho)y -0.2020591E-10 GRAD(Rho)z -0.6148727E-11 Laplacian 0.3156360E-01 (-1/4)Del**2(Rho)) -0.7890900E-02 Diamond 0.7694067E-03 Metallicity 0.7978902E+00 Ellipticity -0.1412583E+01 Gb(Abramov) 0.6309946E-02 Vb(Abramov) -0.4728991E-02 Hb(Abramov) 0.1580955E-02 Ex_ueg -0.1314211E-02 Ec_ueg -0.3078370E-03 Delta_ex -0.1407248E-02 Delta_ec 0.3773722E-03 Delta_et -0.2638360E-02 Pxc 0.4269177E+01 Qxc -0.3729073E+01 3,+1 59 3 -1 -2.731135 1.780926 -0.547080 Rho 0.1643882E+00 |GRAD(Rho)| 0.7436374E-14 GRAD(Rho)x 0.8463011E-15 GRAD(Rho)y 0.5680379E-14 GRAD(Rho)z 0.4724059E-14 Laplacian 0.6963770E+00 (-1/4)Del**2(Rho)) -0.1740943E+00 Diamond 0.1556630E+01 Metallicity 0.4881496E+01 Ellipticity 0.1536827E-01 Gb(Abramov) 0.2577029E+00 Vb(Abramov) -0.3413116E+00 Hb(Abramov) -0.8360866E-01 Ex_ueg -0.6650880E-01 Ec_ueg -0.9370838E-02 Delta_ex -0.7633297E-01 Delta_ec 0.1697172E-01 Delta_et -0.2278813E+00 Pxc 0.7097423E+01 Qxc -0.4497658E+01 3,-1 60 3 -1 -2.969961 1.975357 0.845499 Rho 0.1508406E+00 |GRAD(Rho)| 0.9904401E-14 GRAD(Rho)x -0.8143754E-14 GRAD(Rho)y 0.5629367E-14 GRAD(Rho)z -0.2943609E-15 Laplacian 0.5838253E+00 (-1/4)Del**2(Rho)) -0.1459563E+00 Diamond 0.1189497E+01 Metallicity 0.5044994E+01 Ellipticity 0.3884072E-01 Gb(Abramov) 0.2200290E+00 Vb(Abramov) -0.2941017E+00 Hb(Abramov) -0.7407269E-01 Ex_ueg -0.5930291E-01 Ec_ueg -0.8497346E-02 Delta_ex -0.6276780E-01 Delta_ec 0.1476431E-01 Delta_et -0.1966290E+00 Pxc 0.6978993E+01 Qxc -0.4251321E+01 3,-1 61 3 -1 -3.201286 3.187541 -0.110199 Rho 0.1776811E+00 |GRAD(Rho)| 0.7309760E-13 GRAD(Rho)x 0.5280582E-13 GRAD(Rho)y -0.4560862E-13 GRAD(Rho)z 0.2178666E-13 Laplacian 0.6991932E+00 (-1/4)Del**2(Rho)) -0.1747983E+00 Diamond 0.1760435E+01 Metallicity 0.5534581E+01 Ellipticity 0.1142946E+00 Gb(Abramov) 0.2777714E+00 Vb(Abramov) -0.3807445E+00 Hb(Abramov) -0.1029731E+00 Ex_ueg -0.7377458E-01 Ec_ueg -0.1023847E-01 Delta_ex -0.7850511E-01 Delta_ec 0.1732987E-01 Delta_et -0.2365783E+00 Pxc 0.7205626E+01 Qxc -0.4530047E+01 3,-1 62 3 -1 -1.979752 -2.983861 -0.851993 Rho 0.1398220E+00 |GRAD(Rho)| 0.1570852E-12 GRAD(Rho)x -0.5326510E-13 GRAD(Rho)y -0.6631523E-15 GRAD(Rho)z 0.1477774E-12 Laplacian 0.5502190E+00 (-1/4)Del**2(Rho)) -0.1375547E+00 Diamond 0.1028712E+01 Metallicity 0.4717407E+01 Ellipticity 0.3324043E-01 Gb(Abramov) 0.1998535E+00 Vb(Abramov) -0.2621522E+00 Hb(Abramov) -0.6229871E-01 Ex_ueg -0.5359846E-01 Ec_ueg -0.7795192E-02 Delta_ex -0.5812431E-01 Delta_ec 0.1428061E-01 Delta_et -0.1883357E+00 Pxc 0.6875836E+01 Qxc -0.4070154E+01 3,-1 63 3 +1 0.202352 0.185056 -2.855975 Rho 0.5622288E-02 |GRAD(Rho)| 0.2194703E-16 GRAD(Rho)x -0.1308633E-16 GRAD(Rho)y 0.1752945E-16 GRAD(Rho)z 0.1771518E-17 Laplacian 0.2326253E-01 (-1/4)Del**2(Rho)) -0.5815633E-02 Diamond 0.5765619E-03 Metallicity 0.5265965E+00 Ellipticity -0.2294698E+01 Gb(Abramov) 0.4387504E-02 Vb(Abramov) -0.2959375E-02 Hb(Abramov) 0.1428129E-02 Ex_ueg -0.7383617E-03 Ec_ueg -0.1737899E-03 Delta_ex -0.1136752E-02 Delta_ec 0.6494123E-03 Delta_et -0.3686258E-02 Pxc 0.4248588E+01 Qxc -0.1750432E+01 3,+1 64 3 -1 -0.838184 -2.996953 -1.978242 Rho 0.1435490E+00 |GRAD(Rho)| 0.5481674E-13 GRAD(Rho)x -0.1813376E-13 GRAD(Rho)y -0.4107490E-13 GRAD(Rho)z 0.3144669E-13 Laplacian 0.5655904E+00 (-1/4)Del**2(Rho)) -0.1413976E+00 Diamond 0.1090245E+01 Metallicity 0.4794883E+01 Ellipticity 0.3819463E-01 Gb(Abramov) 0.2072626E+00 Vb(Abramov) -0.2731275E+00 Hb(Abramov) -0.6586496E-01 Ex_ueg -0.5551179E-01 Ec_ueg -0.8031843E-02 Delta_ex -0.6012013E-01 Delta_ec 0.1456394E-01 Delta_et -0.1927845E+00 Pxc 0.6911463E+01 Qxc -0.4128013E+01 3,-1 65 3 +1 -0.476270 0.493182 -1.663202 Rho 0.9113240E-02 |GRAD(Rho)| 0.1136582E-13 GRAD(Rho)x -0.6507449E-14 GRAD(Rho)y 0.7193916E-14 GRAD(Rho)z 0.5923048E-14 Laplacian 0.3363192E-01 (-1/4)Del**2(Rho)) -0.8407981E-02 Diamond 0.8729375E-03 Metallicity 0.8146720E+00 Ellipticity -0.1411785E+01 Gb(Abramov) 0.6746945E-02 Vb(Abramov) -0.5085909E-02 Hb(Abramov) 0.1661036E-02 Ex_ueg -0.1405882E-02 Ec_ueg -0.3280020E-03 Delta_ex -0.1517037E-02 Delta_ec 0.3979617E-03 Delta_et -0.2820853E-02 Pxc 0.4286199E+01 Qxc -0.3812019E+01 3,+1 66 3 +1 -0.457892 1.665482 -0.519833 Rho 0.9299103E-02 |GRAD(Rho)| 0.3101684E-16 GRAD(Rho)x -0.1920203E-17 GRAD(Rho)y 0.2735973E-16 GRAD(Rho)z -0.1448455E-16 Laplacian 0.3506697E-01 (-1/4)Del**2(Rho)) -0.8766742E-02 Diamond 0.9330828E-03 Metallicity 0.8080720E+00 Ellipticity -0.1393886E+01 Gb(Abramov) 0.7025187E-02 Vb(Abramov) -0.5283633E-02 Hb(Abramov) 0.1741554E-02 Ex_ueg -0.1444241E-02 Ec_ueg -0.3363674E-03 Delta_ex -0.1589099E-02 Delta_ec 0.4130670E-03 Delta_et -0.2944104E-02 Pxc 0.4293642E+01 Qxc -0.3847075E+01 3,+1 67 3 +1 1.306820 2.172537 -1.187232 Rho 0.2997876E-01 |GRAD(Rho)| 0.2084456E-14 GRAD(Rho)x 0.1261098E-14 GRAD(Rho)y 0.1592851E-14 GRAD(Rho)z 0.4662771E-15 Laplacian 0.1195226E+00 (-1/4)Del**2(Rho)) -0.2988066E-01 Diamond 0.2102850E-01 Metallicity 0.1667960E+01 Ellipticity -0.7908228E+01 Gb(Abramov) 0.2822707E-01 Vb(Abramov) -0.2657347E-01 Hb(Abramov) 0.1653594E-02 Ex_ueg -0.6878123E-02 Ec_ueg -0.1342512E-02 Delta_ex -0.7886528E-02 Delta_ec 0.2173188E-02 Delta_et -0.2002756E-01 Pxc 0.5123325E+01 Qxc -0.3629013E+01 3,+1 68 3 +3 0.037179 2.308518 -0.031063 Rho 0.5218327E-02 |GRAD(Rho)| 0.1539628E-15 GRAD(Rho)x 0.8231428E-16 GRAD(Rho)y -0.1241249E-15 GRAD(Rho)z -0.3901179E-16 Laplacian 0.2111661E-01 (-1/4)Del**2(Rho)) -0.5279153E-02 Diamond 0.2172879E-03 Metallicity 0.5123197E+00 Ellipticity -0.4029595E+00 Gb(Abramov) 0.3970204E-02 Vb(Abramov) -0.2661256E-02 Hb(Abramov) 0.1308949E-02 Ex_ueg -0.6684877E-03 Ec_ueg -0.1563204E-03 Delta_ex -0.7917269E-03 Delta_ec 0.1884363E-03 Delta_et -0.1228282E-02 Pxc 0.4276396E+01 Qxc -0.4201563E+01 3,+3 69 3 -1 -0.563102 1.754410 1.712048 Rho 0.4554237E-01 |GRAD(Rho)| 0.2953547E-12 GRAD(Rho)x -0.1154839E-12 GRAD(Rho)y -0.1907864E-12 GRAD(Rho)z -0.1936450E-12 Laplacian 0.1829528E+00 (-1/4)Del**2(Rho)) -0.4573821E-01 Diamond 0.7961084E-01 Metallicity 0.2187594E+01 Ellipticity 0.1586040E-01 Gb(Abramov) 0.4716825E-01 Vb(Abramov) -0.4859828E-01 Hb(Abramov) -0.1430038E-02 Ex_ueg -0.1201174E-01 Ec_ueg -0.2169996E-02 Delta_ex -0.1460919E-01 Delta_ec 0.5274075E-02 Delta_et -0.5422718E-01 Pxc 0.5535375E+01 Qxc -0.2770001E+01 3,-1 70 3 -1 -0.856258 2.001951 2.983381 Rho 0.1419933E+00 |GRAD(Rho)| 0.5414378E-14 GRAD(Rho)x 0.3808152E-14 GRAD(Rho)y 0.3461193E-14 GRAD(Rho)z -0.1683332E-14 Laplacian 0.5605493E+00 (-1/4)Del**2(Rho)) -0.1401373E+00 Diamond 0.1065593E+01 Metallicity 0.4750933E+01 Ellipticity 0.3574794E-01 Gb(Abramov) 0.2043887E+00 Vb(Abramov) -0.2686401E+00 Hb(Abramov) -0.6425139E-01 Ex_ueg -0.5471109E-01 Ec_ueg -0.7932954E-02 Delta_ex -0.5941659E-01 Delta_ec 0.1445572E-01 Delta_et -0.1910071E+00 Pxc 0.6896686E+01 Qxc -0.4110247E+01 3,-1 71 3 -1 -1.773892 0.540290 -2.775723 Rho 0.1431574E+00 |GRAD(Rho)| 0.4532648E-14 GRAD(Rho)x -0.3276554E-14 GRAD(Rho)y -0.3013540E-14 GRAD(Rho)z 0.8530367E-15 Laplacian 0.6062362E+00 (-1/4)Del**2(Rho)) -0.1515591E+00 Diamond 0.1160130E+01 Metallicity 0.4453082E+01 Ellipticity 0.9168366E-02 Gb(Abramov) 0.2135235E+00 Vb(Abramov) -0.2754880E+00 Hb(Abramov) -0.6196447E-01 Ex_ueg -0.5530995E-01 Ec_ueg -0.8006935E-02 Delta_ex -0.6434851E-01 Delta_ec 0.1553325E-01 Delta_et -0.2053442E+00 Pxc 0.6907756E+01 Qxc -0.4142629E+01 3,-1 72 3 -1 -0.533029 2.757008 -1.796532 Rho 0.1283149E+00 |GRAD(Rho)| 0.1083599E-15 GRAD(Rho)x -0.8337515E-16 GRAD(Rho)y 0.5372222E-16 GRAD(Rho)z -0.4363914E-16 Laplacian 0.5355348E+00 (-1/4)Del**2(Rho)) -0.1338837E+00 Diamond 0.9047098E+00 Metallicity 0.4200367E+01 Ellipticity 0.1280644E-01 Gb(Abramov) 0.1829826E+00 Vb(Abramov) -0.2320815E+00 Hb(Abramov) -0.4909888E-01 Ex_ueg -0.4779926E-01 Ec_ueg -0.7070171E-02 Delta_ex -0.5543020E-01 Delta_ec 0.1422452E-01 Delta_et -0.1851186E+00 Pxc 0.6760694E+01 Qxc -0.3896806E+01 3,-1 73 3 +1 -0.189641 2.870976 0.196588 Rho 0.6003088E-02 |GRAD(Rho)| 0.1998762E-17 GRAD(Rho)x -0.9294681E-18 GRAD(Rho)y 0.1262206E-17 GRAD(Rho)z 0.1240152E-17 Laplacian 0.2523757E-01 (-1/4)Del**2(Rho)) -0.6309393E-02 Diamond 0.6883998E-03 Metallicity 0.5414064E+00 Ellipticity -0.2420203E+01 Gb(Abramov) 0.4775586E-02 Vb(Abramov) -0.3241780E-02 Hb(Abramov) 0.1533807E-02 Ex_ueg -0.8057827E-03 Ec_ueg -0.1903319E-03 Delta_ex -0.1253730E-02 Delta_ec 0.7112569E-03 Delta_et -0.4113235E-02 Pxc 0.4233566E+01 Qxc -0.1762697E+01 3,+1 74 3 -1 -0.860243 2.992277 1.975162 Rho 0.1272485E+00 |GRAD(Rho)| 0.3151193E-15 GRAD(Rho)x -0.2901867E-15 GRAD(Rho)y 0.1191877E-15 GRAD(Rho)z -0.2976813E-16 Laplacian 0.5031076E+00 (-1/4)Del**2(Rho)) -0.1257769E+00 Diamond 0.8420139E+00 Metallicity 0.4409335E+01 Ellipticity 0.4298689E-01 Gb(Abramov) 0.1762834E+00 Vb(Abramov) -0.2267898E+00 Hb(Abramov) -0.5050645E-01 Ex_ueg -0.4727030E-01 Ec_ueg -0.7003418E-02 Delta_ex -0.5197663E-01 Delta_ec 0.1340221E-01 Delta_et -0.1741973E+00 Pxc 0.6749604E+01 Qxc -0.3878212E+01 3,-1 75 3 +1 -2.857451 0.157992 0.162080 Rho 0.5887726E-02 |GRAD(Rho)| 0.8594450E-17 GRAD(Rho)x -0.1063979E-17 GRAD(Rho)y -0.5402310E-17 GRAD(Rho)z 0.6599058E-17 Laplacian 0.2459282E-01 (-1/4)Del**2(Rho)) -0.6148204E-02 Diamond 0.7083636E-03 Metallicity 0.5379198E+00 Ellipticity -0.4084437E+01 Gb(Abramov) 0.4650009E-02 Vb(Abramov) -0.3151815E-02 Hb(Abramov) 0.1498195E-02 Ex_ueg -0.7852028E-03 Ec_ueg -0.1853130E-03 Delta_ex -0.1257806E-02 Delta_ec 0.7662246E-03 Delta_et -0.4373449E-02 Pxc 0.4237169E+01 Qxc -0.1641563E+01 3,+1 76 3 +1 -0.187923 0.203745 2.885619 Rho 0.5695701E-02 |GRAD(Rho)| 0.2546463E-13 GRAD(Rho)x 0.2460066E-13 GRAD(Rho)y -0.6545864E-14 GRAD(Rho)z 0.6375694E-15 Laplacian 0.2351443E-01 (-1/4)Del**2(Rho)) -0.5878608E-02 Diamond 0.6141930E-03 Metallicity 0.5323419E+00 Ellipticity -0.2593371E+01 Gb(Abramov) 0.4440644E-02 Vb(Abramov) -0.3002679E-02 Hb(Abramov) 0.1437964E-02 Ex_ueg -0.7512445E-03 Ec_ueg -0.1769734E-03 Delta_ex -0.1168597E-02 Delta_ec 0.6858713E-03 Delta_et -0.3894969E-02 Pxc 0.4244957E+01 Qxc -0.1703814E+01 3,+1 77 3 +1 0.231803 2.884638 -0.229453 Rho 0.5874906E-02 |GRAD(Rho)| 0.3273870E-15 GRAD(Rho)x 0.2263723E-15 GRAD(Rho)y 0.3068086E-16 GRAD(Rho)z -0.2345133E-15 Laplacian 0.2480911E-01 (-1/4)Del**2(Rho)) -0.6202277E-02 Diamond 0.6082855E-03 Metallicity 0.5312965E+00 Ellipticity -0.1844780E+01 Gb(Abramov) 0.4684059E-02 Vb(Abramov) -0.3165841E-02 Hb(Abramov) 0.1518218E-02 Ex_ueg -0.7829241E-03 Ec_ueg -0.1847557E-03 Delta_ex -0.1190271E-02 Delta_ec 0.6336141E-03 Delta_et -0.3669915E-02 Pxc 0.4237617E+01 Qxc -0.1878542E+01 3,+1 78 3 -1 -0.029575 2.886289 0.034158 Rho 0.6050957E-02 |GRAD(Rho)| 0.1299942E-16 GRAD(Rho)x -0.7744139E-17 GRAD(Rho)y -0.8978607E-17 GRAD(Rho)z 0.5328971E-17 Laplacian 0.2448263E-01 (-1/4)Del**2(Rho)) -0.6120658E-02 Diamond 0.8512641E-03 Metallicity 0.5655380E+00 Ellipticity 0.1775745E+01 Gb(Abramov) 0.4657349E-02 Vb(Abramov) -0.3194041E-02 Hb(Abramov) 0.1463308E-02 Ex_ueg -0.8143613E-03 Ec_ueg -0.1924164E-03 Delta_ex -0.1345135E-02 Delta_ec 0.9165825E-03 Delta_et -0.5213378E-02 Pxc 0.4232287E+01 Qxc -0.1467555E+01 3,-1 79 3 +1 -0.168164 -0.187435 -2.853957 Rho 0.5640462E-02 |GRAD(Rho)| 0.6705867E-17 GRAD(Rho)x 0.2854300E-17 GRAD(Rho)y -0.6038021E-17 GRAD(Rho)z 0.6032663E-18 Laplacian 0.2327236E-01 (-1/4)Del**2(Rho)) -0.5818091E-02 Diamond 0.5873966E-03 Metallicity 0.5292129E+00 Ellipticity -0.2477426E+01 Gb(Abramov) 0.4391895E-02 Vb(Abramov) -0.2965700E-02 Hb(Abramov) 0.1426196E-02 Ex_ueg -0.7415457E-03 Ec_ueg -0.1745778E-03 Delta_ex -0.1144372E-02 Delta_ec 0.6610922E-03 Delta_et -0.3751015E-02 Pxc 0.4247653E+01 Qxc -0.1731032E+01 3,+1 80 3 +1 0.507311 -0.488816 -1.664236 Rho 0.9006057E-02 |GRAD(Rho)| 0.1871442E-13 GRAD(Rho)x -0.9151895E-14 GRAD(Rho)y 0.8544819E-14 GRAD(Rho)z 0.1390893E-13 Laplacian 0.3317358E-01 (-1/4)Del**2(Rho)) -0.8293395E-02 Diamond 0.8495118E-03 Metallicity 0.8098016E+00 Ellipticity -0.1412065E+01 Gb(Abramov) 0.6648264E-02 Vb(Abramov) -0.5003133E-02 Hb(Abramov) 0.1645131E-02 Ex_ueg -0.1383878E-02 Ec_ueg -0.3231846E-03 Delta_ex -0.1492712E-02 Delta_ec 0.3942696E-03 Delta_et -0.2784992E-02 Pxc 0.4282006E+01 Qxc -0.3786018E+01 3,+1 81 3 +3 1.081968 -1.075466 -1.052481 Rho 0.5160654E-02 |GRAD(Rho)| 0.5687509E-12 GRAD(Rho)x -0.5682885E-12 GRAD(Rho)y 0.1526996E-13 GRAD(Rho)z 0.1710699E-13 Laplacian 0.1796647E-01 (-1/4)Del**2(Rho)) -0.4491618E-02 Diamond 0.1118363E-03 Metallicity 0.5910963E+00 Ellipticity -0.3026180E-01 Gb(Abramov) 0.3436908E-02 Vb(Abramov) -0.2382199E-02 Hb(Abramov) 0.1054709E-02 Ex_ueg -0.6586550E-03 Ec_ueg -0.1538329E-03 Delta_ex -0.6091288E-03 Delta_ec 0.4864877E-04 Delta_et -0.4750334E-03 Pxc 0.4281626E+01 Qxc -0.1252095E+02 3,+3 82 3 +3 -1.064191 -1.046828 1.068391 Rho 0.5158740E-02 |GRAD(Rho)| 0.6175956E-17 GRAD(Rho)x -0.5661196E-18 GRAD(Rho)y -0.2337974E-17 GRAD(Rho)z 0.5688218E-17 Laplacian 0.1778713E-01 (-1/4)Del**2(Rho)) -0.4446782E-02 Diamond 0.1100518E-03 Metallicity 0.5966873E+00 Ellipticity -0.4783968E-01 Gb(Abramov) 0.3406744E-02 Vb(Abramov) -0.2366707E-02 Hb(Abramov) 0.1040038E-02 Ex_ueg -0.6583294E-03 Ec_ueg -0.1537504E-03 Delta_ex -0.6024397E-03 Delta_ec 0.4719065E-04 Delta_et -0.4653317E-03 Pxc 0.4281806E+01 Qxc -0.1276608E+02 3,+3 83 3 +1 -0.519739 -0.449169 1.648622 Rho 0.8565780E-02 |GRAD(Rho)| 0.3693717E-15 GRAD(Rho)x -0.2242641E-15 GRAD(Rho)y 0.2901913E-15 GRAD(Rho)z -0.4393251E-16 Laplacian 0.3071968E-01 (-1/4)Del**2(Rho)) -0.7679920E-02 Diamond 0.7254470E-03 Metallicity 0.8044048E+00 Ellipticity -0.1407635E+01 Gb(Abramov) 0.6149574E-02 Vb(Abramov) -0.4619228E-02 Hb(Abramov) 0.1530346E-02 Ex_ueg -0.1294417E-02 Ec_ueg -0.3034493E-03 Delta_ex -0.1360216E-02 Delta_ec 0.3577111E-03 Delta_et -0.2503088E-02 Pxc 0.4265679E+01 Qxc -0.3802554E+01 3,+1 84 3 +1 0.198045 -0.180556 2.880807 Rho 0.5651755E-02 |GRAD(Rho)| 0.2075735E-17 GRAD(Rho)x 0.1987533E-17 GRAD(Rho)y 0.1721056E-18 GRAD(Rho)z 0.5733823E-18 Laplacian 0.2348670E-01 (-1/4)Del**2(Rho)) -0.5871676E-02 Diamond 0.5745189E-03 Metallicity 0.5261344E+00 Ellipticity -0.2110886E+01 Gb(Abramov) 0.4429332E-02 Vb(Abramov) -0.2986989E-02 Hb(Abramov) 0.1442344E-02 Ex_ueg -0.7435261E-03 Ec_ueg -0.1750674E-03 Delta_ex -0.1139699E-02 Delta_ec 0.6391812E-03 Delta_et -0.3641197E-02 Pxc 0.4247084E+01 Qxc -0.1783060E+01 3,+1 85 3 -1 0.005228 -0.012235 -2.864362 Rho 0.5686507E-02 |GRAD(Rho)| 0.7336767E-17 GRAD(Rho)x -0.6127709E-17 GRAD(Rho)y 0.3723656E-17 GRAD(Rho)z 0.1553614E-17 Laplacian 0.2276284E-01 (-1/4)Del**2(Rho)) -0.5690710E-02 Diamond 0.7163980E-03 Metallicity 0.5484403E+00 Ellipticity 0.2304411E+01 Gb(Abramov) 0.4313976E-02 Vb(Abramov) -0.2937242E-02 Hb(Abramov) 0.1376734E-02 Ex_ueg -0.7496281E-03 Ec_ueg -0.1765746E-03 Delta_ex -0.1227186E-02 Delta_ec 0.8359005E-03 Delta_et -0.4670861E-02 Pxc 0.4245390E+01 Qxc -0.1468100E+01 3,-1 86 3 -1 0.503205 -0.488118 0.507304 Rho 0.1994587E+00 |GRAD(Rho)| 0.2687658E-15 GRAD(Rho)x -0.9546442E-16 GRAD(Rho)y 0.2497290E-15 GRAD(Rho)z 0.2751375E-16 Laplacian 0.8209797E+00 (-1/4)Del**2(Rho)) -0.2052449E+00 Diamond 0.2755356E+01 Metallicity 0.5715258E+01 Ellipticity 0.3137277E-02 Gb(Abramov) 0.3323346E+00 Vb(Abramov) -0.4594242E+00 Hb(Abramov) -0.1270896E+00 Ex_ueg -0.8607079E-01 Ec_ueg -0.1168180E-01 Delta_ex -0.9749742E-01 Delta_ec 0.2436071E-01 Delta_et -0.3520613E+00 Pxc 0.7367938E+01 Qxc -0.4002241E+01 3,-1 87 3 +3 -0.035571 0.054433 2.287320 Rho 0.4914345E-02 |GRAD(Rho)| 0.8224497E-17 GRAD(Rho)x 0.5432312E-17 GRAD(Rho)y 0.6164173E-17 GRAD(Rho)z -0.3678418E-18 Laplacian 0.1932107E-01 (-1/4)Del**2(Rho)) -0.4830268E-02 Diamond 0.1778802E-03 Metallicity 0.5066305E+00 Ellipticity -0.3522696E+00 Gb(Abramov) 0.3628039E-02 Vb(Abramov) -0.2425810E-02 Hb(Abramov) 0.1202229E-02 Ex_ueg -0.6170768E-03 Ec_ueg -0.1432286E-03 Delta_ex -0.7081511E-03 Delta_ec 0.1633378E-03 Delta_et -0.1062747E-02 Pxc 0.4308336E+01 Qxc -0.4335501E+01 3,+3 88 3 +1 1.671990 -0.490874 -0.483712 Rho 0.8788325E-02 |GRAD(Rho)| 0.7050438E-17 GRAD(Rho)x -0.2472564E-17 GRAD(Rho)y 0.5126522E-17 GRAD(Rho)z -0.4160994E-17 Laplacian 0.3209684E-01 (-1/4)Del**2(Rho)) -0.8024209E-02 Diamond 0.7967389E-03 Metallicity 0.8035159E+00 Ellipticity -0.1414075E+01 Gb(Abramov) 0.6424069E-02 Vb(Abramov) -0.4823930E-02 Hb(Abramov) 0.1600140E-02 Ex_ueg -0.1339450E-02 Ec_ueg -0.3134142E-03 Delta_ex -0.1435877E-02 Delta_ec 0.3829123E-03 Delta_et -0.2687267E-02 Pxc 0.4273738E+01 Qxc -0.3749885E+01 3,+1 89 3 +1 0.464188 0.536142 1.652662 Rho 0.8471948E-02 |GRAD(Rho)| 0.2440305E-16 GRAD(Rho)x -0.7868806E-17 GRAD(Rho)y -0.2154936E-16 GRAD(Rho)z 0.8319606E-17 Laplacian 0.3029932E-01 (-1/4)Del**2(Rho)) -0.7574831E-02 Diamond 0.7046822E-03 Metallicity 0.8007292E+00 Ellipticity -0.1406072E+01 Gb(Abramov) 0.6060785E-02 Vb(Abramov) -0.4546740E-02 Hb(Abramov) 0.1514046E-02 Ex_ueg -0.1275546E-02 Ec_ueg -0.2992544E-03 Delta_ex -0.1337687E-02 Delta_ec 0.3526935E-03 Delta_et -0.2461483E-02 Pxc 0.4262414E+01 Qxc -0.3792775E+01 3,+1 90 3 +1 0.484434 1.673819 0.474997 Rho 0.8947231E-02 |GRAD(Rho)| 0.2244476E-12 GRAD(Rho)x 0.1298386E-12 GRAD(Rho)y 0.1763722E-12 GRAD(Rho)z 0.4910712E-13 Laplacian 0.3254690E-01 (-1/4)Del**2(Rho)) -0.8136726E-02 Diamond 0.8200869E-03 Metallicity 0.8164280E+00 Ellipticity -0.1415169E+01 Gb(Abramov) 0.6531659E-02 Vb(Abramov) -0.4926592E-02 Hb(Abramov) 0.1605067E-02 Ex_ueg -0.1371839E-02 Ec_ueg -0.3205428E-03 Delta_ex -0.1459470E-02 Delta_ec 0.3822862E-03 Delta_et -0.2700336E-02 Pxc 0.4279738E+01 Qxc -0.3817741E+01 3,+1 91 3 -1 0.877099 2.990196 -1.994307 Rho 0.1447569E+00 |GRAD(Rho)| 0.2029514E-15 GRAD(Rho)x -0.1130145E-15 GRAD(Rho)y -0.1647445E-15 GRAD(Rho)z -0.3572446E-16 Laplacian 0.5706160E+00 (-1/4)Del**2(Rho)) -0.1426540E+00 Diamond 0.1111178E+01 Metallicity 0.4819492E+01 Ellipticity 0.3916546E-01 Gb(Abramov) 0.2096893E+00 Vb(Abramov) -0.2767246E+00 Hb(Abramov) -0.6703530E-01 Ex_ueg -0.5613547E-01 Ec_ueg -0.8108729E-02 Delta_ex -0.6077986E-01 Delta_ec 0.1466540E-01 Delta_et -0.1943712E+00 Pxc 0.6922845E+01 Qxc -0.4144440E+01 3,-1 92 3 +1 2.173974 -1.260144 1.220720 Rho 0.2931648E-01 |GRAD(Rho)| 0.3259152E-14 GRAD(Rho)x -0.1394610E-14 GRAD(Rho)y -0.2349009E-14 GRAD(Rho)z 0.1777440E-14 Laplacian 0.1167668E+00 (-1/4)Del**2(Rho)) -0.2919170E-01 Diamond 0.2021773E-01 Metallicity 0.1644927E+01 Ellipticity -0.9205095E+01 Gb(Abramov) 0.2746418E-01 Vb(Abramov) -0.2573665E-01 Hb(Abramov) 0.1727530E-02 Ex_ueg -0.6676273E-02 Ec_ueg -0.1308404E-02 Delta_ex -0.7684847E-02 Delta_ec 0.2169512E-02 Delta_et -0.1988046E-01 Pxc 0.5102607E+01 Qxc -0.3542201E+01 3,+1 93 3 -1 2.783217 -1.799181 -0.537871 Rho 0.1399207E+00 |GRAD(Rho)| 0.9866123E-15 GRAD(Rho)x -0.8598536E-15 GRAD(Rho)y 0.4365947E-15 GRAD(Rho)z -0.2084243E-15 Laplacian 0.5909927E+00 (-1/4)Del**2(Rho)) -0.1477482E+00 Diamond 0.1101116E+01 Metallicity 0.4397114E+01 Ellipticity 0.8175862E-02 Gb(Abramov) 0.2067764E+00 Vb(Abramov) -0.2658046E+00 Hb(Abramov) -0.5902821E-01 Ex_ueg -0.5364893E-01 Ec_ueg -0.7801450E-02 Delta_ex -0.6239022E-01 Delta_ec 0.1524325E-01 Delta_et -0.2008601E+00 Pxc 0.6876790E+01 Qxc -0.4092973E+01 3,-1 94 3 -1 3.003343 0.853713 -1.979545 Rho 0.1410172E+00 |GRAD(Rho)| 0.2570905E-14 GRAD(Rho)x -0.8823915E-15 GRAD(Rho)y -0.2061638E-14 GRAD(Rho)z -0.1257214E-14 Laplacian 0.5553267E+00 (-1/4)Del**2(Rho)) -0.1388317E+00 Diamond 0.1048268E+01 Metallicity 0.4740798E+01 Ellipticity 0.3578489E-01 Gb(Abramov) 0.2022499E+00 Vb(Abramov) -0.2656682E+00 Hb(Abramov) -0.6341826E-01 Ex_ueg -0.5421022E-01 Ec_ueg -0.7870989E-02 Delta_ex -0.5877835E-01 Delta_ec 0.1437055E-01 Delta_et -0.1897393E+00 Pxc 0.6887346E+01 Qxc -0.4090194E+01 3,-1 95 3 +1 2.180453 1.255065 -1.225007 Rho 0.3005782E-01 |GRAD(Rho)| 0.7401810E-16 GRAD(Rho)x 0.6809994E-16 GRAD(Rho)y 0.2456323E-16 GRAD(Rho)z -0.1541835E-16 Laplacian 0.1210144E+00 (-1/4)Del**2(Rho)) -0.3025359E-01 Diamond 0.2200075E-01 Metallicity 0.1654647E+01 Ellipticity -0.1277827E+02 Gb(Abramov) 0.2851223E-01 Vb(Abramov) -0.2677087E-01 Hb(Abramov) 0.1741361E-02 Ex_ueg -0.6902320E-02 Ec_ueg -0.1346590E-02 Delta_ex -0.8044312E-02 Delta_ec 0.2296239E-02 Delta_et -0.2116725E-01 Pxc 0.5125776E+01 Qxc -0.3503255E+01 3,+1 96 3 +1 2.874263 0.181064 -0.160665 Rho 0.5514136E-02 |GRAD(Rho)| 0.8945527E-13 GRAD(Rho)x -0.9738980E-14 GRAD(Rho)y -0.8891889E-13 GRAD(Rho)z -0.9102359E-15 Laplacian 0.2273917E-01 (-1/4)Del**2(Rho)) -0.5684793E-02 Diamond 0.5677314E-03 Metallicity 0.5215561E+00 Ellipticity -0.2573313E+01 Gb(Abramov) 0.4284018E-02 Vb(Abramov) -0.2883244E-02 Hb(Abramov) 0.1400775E-02 Ex_ueg -0.7194850E-03 Ec_ueg -0.1691048E-03 Delta_ex -0.1122012E-02 Delta_ec 0.6619956E-03 Delta_et -0.3723913E-02 Pxc 0.4254668E+01 Qxc -0.1694893E+01 3,+1 97 3 -1 2.772003 1.810145 0.566774 Rho 0.1411720E+00 |GRAD(Rho)| 0.4763617E-14 GRAD(Rho)x -0.3163363E-15 GRAD(Rho)y 0.3894197E-14 GRAD(Rho)z -0.2725291E-14 Laplacian 0.5964356E+00 (-1/4)Del**2(Rho)) -0.1491089E+00 Diamond 0.1123421E+01 Metallicity 0.4422122E+01 Ellipticity 0.9012407E-02 Gb(Abramov) 0.2093022E+00 Vb(Abramov) -0.2694955E+00 Hb(Abramov) -0.6019331E-01 Ex_ueg -0.5428959E-01 Ec_ueg -0.7880813E-02 Delta_ex -0.6310391E-01 Delta_ec 0.1535441E-01 Delta_et -0.2026038E+00 Pxc 0.6888831E+01 Qxc -0.4109822E+01 3,-1 98 3 -1 3.000116 1.991649 -0.852539 Rho 0.1426030E+00 |GRAD(Rho)| 0.8676988E-14 GRAD(Rho)x -0.2734737E-14 GRAD(Rho)y 0.5010356E-14 GRAD(Rho)z 0.6535110E-14 Laplacian 0.5606561E+00 (-1/4)Del**2(Rho)) -0.1401640E+00 Diamond 0.1073167E+01 Metallicity 0.4784074E+01 Ellipticity 0.3617094E-01 Gb(Abramov) 0.2052019E+00 Vb(Abramov) -0.2702397E+00 Hb(Abramov) -0.6503785E-01 Ex_ueg -0.5502459E-01 Ec_ueg -0.7971697E-02 Delta_ex -0.5951001E-01 Delta_ec 0.1447894E-01 Delta_et -0.1915117E+00 Pxc 0.6902494E+01 Qxc -0.4110109E+01 3,-1 99 3 +3 2.328576 0.009068 0.009042 Rho 0.4913980E-02 |GRAD(Rho)| 0.1285276E-15 GRAD(Rho)x -0.4773324E-16 GRAD(Rho)y 0.8423433E-16 GRAD(Rho)z -0.8453074E-16 Laplacian 0.1959348E-01 (-1/4)Del**2(Rho)) -0.4898370E-02 Diamond 0.1928510E-03 Metallicity 0.4995250E+00 Ellipticity -0.3509356E+00 Gb(Abramov) 0.3673390E-02 Vb(Abramov) -0.2448409E-02 Hb(Abramov) 0.1224980E-02 Ex_ueg -0.6170157E-03 Ec_ueg -0.1432129E-03 Delta_ex -0.7299823E-03 Delta_ec 0.1868170E-03 Delta_et -0.1183542E-02 Pxc 0.4308381E+01 Qxc -0.3907473E+01 3,+3 100 3 +1 1.726828 1.744408 1.738923 Rho 0.1246123E-01 |GRAD(Rho)| 0.6432373E-16 GRAD(Rho)x 0.3871558E-16 GRAD(Rho)y -0.5044759E-16 GRAD(Rho)z 0.9679185E-17 Laplacian 0.6348389E-01 (-1/4)Del**2(Rho)) -0.1587097E-01 Diamond 0.2669503E-02 Metallicity 0.7270277E+00 Ellipticity -0.1242411E+01 Gb(Abramov) 0.1250375E-01 Vb(Abramov) -0.9136536E-02 Hb(Abramov) 0.3367218E-02 Ex_ueg -0.2133697E-02 Ec_ueg -0.4809025E-03 Delta_ex -0.3149180E-02 Delta_ec 0.8194166E-03 Delta_et -0.6204560E-02 Pxc 0.4436860E+01 Qxc -0.3843197E+01 3,+1 101 3 -1 -2.978947 -1.976746 -0.854415 Rho 0.1394778E+00 |GRAD(Rho)| 0.1951116E-15 GRAD(Rho)x 0.1389541E-15 GRAD(Rho)y 0.5663601E-16 GRAD(Rho)z -0.1247104E-15 Laplacian 0.5486477E+00 (-1/4)Del**2(Rho)) -0.1371619E+00 Diamond 0.1023552E+01 Metallicity 0.4711525E+01 Ellipticity 0.3237816E-01 Gb(Abramov) 0.1991482E+00 Vb(Abramov) -0.2611346E+00 Hb(Abramov) -0.6198632E-01 Ex_ueg -0.5342262E-01 Ec_ueg -0.7773383E-02 Delta_ex -0.5793248E-01 Delta_ec 0.1426423E-01 Delta_et -0.1880816E+00 Pxc 0.6872506E+01 Qxc -0.4061382E+01 3,-1 102 3 +1 -1.728564 -1.718266 1.735866 Rho 0.1246566E-01 |GRAD(Rho)| 0.2470011E-16 GRAD(Rho)x 0.1150465E-16 GRAD(Rho)y 0.9863611E-17 GRAD(Rho)z 0.1950507E-16 Laplacian 0.6352237E-01 (-1/4)Del**2(Rho)) -0.1588059E-01 Diamond 0.2671541E-02 Metallicity 0.7270186E+00 Ellipticity -0.1239567E+01 Gb(Abramov) 0.1251131E-01 Vb(Abramov) -0.9142027E-02 Hb(Abramov) 0.3369283E-02 Ex_ueg -0.2134710E-02 Ec_ueg -0.4811082E-03 Delta_ex -0.3151143E-02 Delta_ec 0.8194793E-03 Delta_et -0.6205901E-02 Pxc 0.4437070E+01 Qxc -0.3845299E+01 3,+1 103 3 +1 -1.711777 1.725745 -1.727821 Rho 0.1265644E-01 |GRAD(Rho)| 0.2616780E-16 GRAD(Rho)x -0.1867684E-16 GRAD(Rho)y -0.1210984E-16 GRAD(Rho)z 0.1375795E-16 Laplacian 0.6457039E-01 (-1/4)Del**2(Rho)) -0.1614260E-01 Diamond 0.2778368E-02 Metallicity 0.7335544E+00 Ellipticity -0.1254470E+01 Gb(Abramov) 0.1273531E-01 Vb(Abramov) -0.9328024E-02 Hb(Abramov) 0.3407287E-02 Ex_ueg -0.2178381E-02 Ec_ueg -0.4899568E-03 Delta_ex -0.3217541E-02 Delta_ec 0.8356648E-03 Delta_et -0.6349871E-02 Pxc 0.4446068E+01 Qxc -0.3850277E+01 3,+1 104 3 +1 -2.153118 -1.315207 -1.164913 Rho 0.3015340E-01 |GRAD(Rho)| 0.9761248E-17 GRAD(Rho)x 0.4697155E-17 GRAD(Rho)y 0.5049799E-18 GRAD(Rho)z 0.8541879E-17 Laplacian 0.1198786E+00 (-1/4)Del**2(Rho)) -0.2996966E-01 Diamond 0.2092861E-01 Metallicity 0.1679185E+01 Ellipticity -0.6714982E+01 Gb(Abramov) 0.2836720E-01 Vb(Abramov) -0.2676475E-01 Hb(Abramov) 0.1602453E-02 Ex_ueg -0.6931599E-02 Ec_ueg -0.1351522E-02 Delta_ex -0.7894243E-02 Delta_ec 0.2129546E-02 Delta_et -0.1965706E-01 Pxc 0.5128734E+01 Qxc -0.3707007E+01 3,+1 105 3 -1 -2.964569 -0.865431 -2.002244 Rho 0.1450641E+00 |GRAD(Rho)| 0.3428533E-15 GRAD(Rho)x -0.9165574E-16 GRAD(Rho)y -0.2018920E-15 GRAD(Rho)z 0.2615096E-15 Laplacian 0.5720022E+00 (-1/4)Del**2(Rho)) -0.1430005E+00 Diamond 0.1115972E+01 Metallicity 0.4824832E+01 Ellipticity 0.4024538E-01 Gb(Abramov) 0.2103260E+00 Vb(Abramov) -0.2776514E+00 Hb(Abramov) -0.6732541E-01 Ex_ueg -0.5629438E-01 Ec_ueg -0.8128299E-02 Delta_ex -0.6095133E-01 Delta_ec 0.1467951E-01 Delta_et -0.1945882E+00 Pxc 0.6925727E+01 Qxc -0.4152137E+01 3,-1 106 3 +1 -2.873116 -0.208545 -0.216372 Rho 0.5719548E-02 |GRAD(Rho)| 0.6986344E-17 GRAD(Rho)x -0.1361331E-17 GRAD(Rho)y -0.6448760E-17 GRAD(Rho)z 0.2317171E-17 Laplacian 0.2413682E-01 (-1/4)Del**2(Rho)) -0.6034204E-02 Diamond 0.5796536E-03 Metallicity 0.5222391E+00 Ellipticity -0.1871302E+01 Gb(Abramov) 0.4548019E-02 Vb(Abramov) -0.3061834E-02 Hb(Abramov) 0.1486185E-02 Ex_ueg -0.7554412E-03 Ec_ueg -0.1780081E-03 Delta_ex -0.1158354E-02 Delta_ec 0.6287051E-03 Delta_et -0.3607074E-02 Pxc 0.4243858E+01 Qxc -0.1842444E+01 3,+1 107 3 +3 -2.308096 -0.040331 -0.040208 Rho 0.5120294E-02 |GRAD(Rho)| 0.2404935E-17 GRAD(Rho)x 0.5132374E-18 GRAD(Rho)y -0.1164052E-17 GRAD(Rho)z 0.2040903E-17 Laplacian 0.2078986E-01 (-1/4)Del**2(Rho)) -0.5197465E-02 Diamond 0.2138017E-03 Metallicity 0.5041809E+00 Ellipticity -0.4257095E+00 Gb(Abramov) 0.3901720E-02 Vb(Abramov) -0.2605976E-02 Hb(Abramov) 0.1295745E-02 Ex_ueg -0.6517958E-03 Ec_ueg -0.1520932E-03 Delta_ex -0.7804402E-03 Delta_ec 0.1940722E-03 Delta_et -0.1247238E-02 Pxc 0.4285503E+01 Qxc -0.4021391E+01 3,+3 108 3 -1 -1.959843 -0.883840 -3.018574 Rho 0.1553149E+00 |GRAD(Rho)| 0.5249848E-13 GRAD(Rho)x 0.4336299E-13 GRAD(Rho)y -0.1769890E-13 GRAD(Rho)z 0.2371688E-13 Laplacian 0.6066257E+00 (-1/4)Del**2(Rho)) -0.1516564E+00 Diamond 0.1286367E+01 Metallicity 0.5097779E+01 Ellipticity 0.4797121E-01 Gb(Abramov) 0.2299561E+00 Vb(Abramov) -0.3082558E+00 Hb(Abramov) -0.7829967E-01 Ex_ueg -0.6165987E-01 Ec_ueg -0.8784609E-02 Delta_ex -0.6575034E-01 Delta_ec 0.1533533E-01 Delta_et -0.2053001E+00 Pxc 0.7019080E+01 Qxc -0.4287507E+01 3,-1 109 3 +1 -1.664058 -0.480730 0.474664 Rho 0.8829376E-02 |GRAD(Rho)| 0.2575767E-17 GRAD(Rho)x 0.1972008E-18 GRAD(Rho)y 0.2547437E-17 GRAD(Rho)z -0.3259611E-18 Laplacian 0.3200785E-01 (-1/4)Del**2(Rho)) -0.8001964E-02 Diamond 0.7934649E-03 Metallicity 0.8120323E+00 Ellipticity -0.1415601E+01 Gb(Abramov) 0.6417618E-02 Vb(Abramov) -0.4833272E-02 Hb(Abramov) 0.1584346E-02 Ex_ueg -0.1347799E-02 Ec_ueg -0.3152547E-03 Delta_ex -0.1430964E-02 Delta_ec 0.3770804E-03 Delta_et -0.2653894E-02 Pxc 0.4275270E+01 Qxc -0.3794851E+01 3,+1 110 3 +1 -0.166785 -2.869073 -0.170338 Rho 0.5553250E-02 |GRAD(Rho)| 0.1653859E-15 GRAD(Rho)x 0.1347871E-16 GRAD(Rho)y 0.1768435E-16 GRAD(Rho)z -0.1638843E-15 Laplacian 0.2293151E-01 (-1/4)Del**2(Rho)) -0.5732878E-02 Diamond 0.5761528E-03 Metallicity 0.5233101E+00 Ellipticity -0.2532187E+01 Gb(Abramov) 0.4321931E-02 Vb(Abramov) -0.2910984E-02 Hb(Abramov) 0.1410947E-02 Ex_ueg -0.7262977E-03 Ec_ueg -0.1707985E-03 Delta_ex -0.1131616E-02 Delta_ec 0.6649234E-03 Delta_et -0.3749400E-02 Pxc 0.4252365E+01 Qxc -0.1701875E+01 3,+1 111 3 +1 -1.129113 -1.340426 -2.184210 Rho 0.2966483E-01 |GRAD(Rho)| 0.2450266E-09 GRAD(Rho)x 0.1520318E-09 GRAD(Rho)y -0.1825095E-09 GRAD(Rho)z -0.6012181E-10 Laplacian 0.1163197E+00 (-1/4)Del**2(Rho)) -0.2907993E-01 Diamond 0.1926927E-01 Metallicity 0.1684080E+01 Ellipticity -0.5094224E+01 Gb(Abramov) 0.2754878E-01 Vb(Abramov) -0.2601763E-01 Hb(Abramov) 0.1531154E-02 Ex_ueg -0.6782256E-02 Ec_ueg -0.1326332E-02 Delta_ex -0.7575701E-02 Delta_ec 0.1975827E-02 Delta_et -0.1817501E-01 Pxc 0.5113545E+01 Qxc -0.3834193E+01 3,+1 112 3 -1 -1.799500 -0.544379 2.773106 Rho 0.1453731E+00 |GRAD(Rho)| 0.3164756E-13 GRAD(Rho)x -0.2676033E-13 GRAD(Rho)y 0.1388402E-14 GRAD(Rho)z 0.1683820E-13 Laplacian 0.6134645E+00 (-1/4)Del**2(Rho)) -0.1533661E+00 Diamond 0.1195724E+01 Metallicity 0.4514715E+01 Ellipticity 0.9049188E-02 Gb(Abramov) 0.2176448E+00 Vb(Abramov) -0.2819235E+00 Hb(Abramov) -0.6427867E-01 Ex_ueg -0.5645429E-01 Ec_ueg -0.8147984E-02 Delta_ex -0.6535984E-01 Delta_ec 0.1565740E-01 Delta_et -0.2074439E+00 Pxc 0.6928621E+01 Qxc -0.4174373E+01 3,-1 113 3 -1 -1.701981 -0.567003 -1.750497 Rho 0.4956925E-01 |GRAD(Rho)| 0.2217436E-16 GRAD(Rho)x 0.1224471E-16 GRAD(Rho)y 0.1592062E-16 GRAD(Rho)z 0.9396984E-17 Laplacian 0.2030211E+00 (-1/4)Del**2(Rho)) -0.5075529E-01 Diamond 0.9983669E-01 Metallicity 0.2270348E+01 Ellipticity 0.1154691E-01 Gb(Abramov) 0.5304222E-01 Vb(Abramov) -0.5532915E-01 Hb(Abramov) -0.2286930E-02 Ex_ueg -0.1344832E-01 Ec_ueg -0.2391077E-02 Delta_ex -0.1659299E-01 Delta_ec 0.5903518E-02 Delta_et -0.6207035E-01 Pxc 0.5624378E+01 Qxc -0.2810695E+01 3,-1 114 3 +1 -1.262705 1.258676 2.146343 Rho 0.2922891E-01 |GRAD(Rho)| 0.5891982E-16 GRAD(Rho)x -0.1362761E-16 GRAD(Rho)y 0.1030207E-16 GRAD(Rho)z 0.5638883E-16 Laplacian 0.1163760E+00 (-1/4)Del**2(Rho)) -0.2909401E-01 Diamond 0.2032868E-01 Metallicity 0.1642242E+01 Ellipticity -0.1172448E+02 Gb(Abramov) 0.2735924E-01 Vb(Abramov) -0.2562447E-01 Hb(Abramov) 0.1734767E-02 Ex_ueg -0.6649697E-02 Ec_ueg -0.1303902E-02 Delta_ex -0.7676081E-02 Delta_ec 0.2203398E-02 Delta_et -0.2017193E-01 Pxc 0.5099843E+01 Qxc -0.3483747E+01 3,+1 115 3 +3 -1.049364 1.058996 -1.088753 Rho 0.5329341E-02 |GRAD(Rho)| 0.7245655E-16 GRAD(Rho)x -0.3414070E-16 GRAD(Rho)y -0.4634259E-16 GRAD(Rho)z 0.4400828E-16 Laplacian 0.1912685E-01 (-1/4)Del**2(Rho)) -0.4781713E-02 Diamond 0.1266238E-03 Metallicity 0.5858128E+00 Ellipticity -0.1797712E+00 Gb(Abramov) 0.3654674E-02 Vb(Abramov) -0.2527634E-02 Hb(Abramov) 0.1127040E-02 Ex_ueg -0.6875164E-03 Ec_ueg -0.1611131E-03 Delta_ex -0.6563195E-03 Delta_ec 0.5509484E-04 Delta_et -0.5245549E-03 Pxc 0.4267290E+01 Qxc -0.1191254E+02 3,+3 116 3 +1 1.665993 0.509088 0.496976 Rho 0.8818370E-02 |GRAD(Rho)| 0.4607291E-15 GRAD(Rho)x -0.2110161E-15 GRAD(Rho)y -0.4005957E-15 GRAD(Rho)z 0.8524456E-16 Laplacian 0.3224437E-01 (-1/4)Del**2(Rho)) -0.8061092E-02 Diamond 0.8035294E-03 Metallicity 0.8044020E+00 Ellipticity -0.1413336E+01 Gb(Abramov) 0.6454788E-02 Vb(Abramov) -0.4848484E-02 Hb(Abramov) 0.1606304E-02 Ex_ueg -0.1345559E-02 Ec_ueg -0.3147611E-03 Delta_ex -0.1443493E-02 Delta_ec 0.3841949E-03 Delta_et -0.2698977E-02 Pxc 0.4274858E+01 Qxc -0.3757188E+01 3,+1 117 3 +3 1.060208 1.073062 1.074812 Rho 0.5160936E-02 |GRAD(Rho)| 0.4396611E-17 GRAD(Rho)x -0.9154837E-18 GRAD(Rho)y 0.2771123E-17 GRAD(Rho)z 0.3288306E-17 Laplacian 0.1780598E-01 (-1/4)Del**2(Rho)) -0.4451494E-02 Diamond 0.1103392E-03 Metallicity 0.5964785E+00 Ellipticity -0.6324551E-01 Gb(Abramov) 0.3410200E-02 Vb(Abramov) -0.2368905E-02 Hb(Abramov) 0.1041295E-02 Ex_ueg -0.6587031E-03 Ec_ueg -0.1538451E-03 Delta_ex -0.6032462E-03 Delta_ec 0.4740948E-04 Delta_et -0.4667051E-03 Pxc 0.4281599E+01 Qxc -0.1272417E+02 3,+3 118 3 -1 -0.530033 -1.738371 -1.727762 Rho 0.4743410E-01 |GRAD(Rho)| 0.3800671E-15 GRAD(Rho)x 0.1284212E-15 GRAD(Rho)y -0.2604135E-15 GRAD(Rho)z -0.2452423E-15 Laplacian 0.1931841E+00 (-1/4)Del**2(Rho)) -0.4829604E-01 Diamond 0.8934835E-01 Metallicity 0.2217138E+01 Ellipticity 0.1452578E-01 Gb(Abramov) 0.5004386E-01 Vb(Abramov) -0.5179168E-01 Hb(Abramov) -0.1747821E-02 Ex_ueg -0.1268156E-01 Ec_ueg -0.2273539E-02 Delta_ex -0.1560848E-01 Delta_ec 0.5608656E-02 Delta_et -0.5829486E-01 Pxc 0.5577893E+01 Qxc -0.2782926E+01 3,-1 119 3 +1 1.236509 -1.224612 2.182068 Rho 0.2990754E-01 |GRAD(Rho)| 0.4088454E-16 GRAD(Rho)x 0.9083163E-17 GRAD(Rho)y 0.1322131E-16 GRAD(Rho)z -0.3760636E-16 Laplacian 0.1203049E+00 (-1/4)Del**2(Rho)) -0.3007623E-01 Diamond 0.2168909E-01 Metallicity 0.1650558E+01 Ellipticity -0.1194785E+02 Gb(Abramov) 0.2832458E-01 Vb(Abramov) -0.2657293E-01 Hb(Abramov) 0.1751649E-02 Ex_ueg -0.6856344E-02 Ec_ueg -0.1338839E-02 Delta_ex -0.7983739E-02 Delta_ec 0.2277824E-02 Delta_et -0.2097195E-01 Pxc 0.5121112E+01 Qxc -0.3504985E+01 3,+1 120 3 +3 0.014316 -2.311374 0.005806 Rho 0.4909348E-02 |GRAD(Rho)| 0.4679629E-16 GRAD(Rho)x -0.1288019E-17 GRAD(Rho)y 0.4664024E-16 GRAD(Rho)z 0.3594681E-17 Laplacian 0.1954155E-01 (-1/4)Del**2(Rho)) -0.4885388E-02 Diamond 0.1893065E-03 Metallicity 0.5000658E+00 Ellipticity -0.3577393E+00 Gb(Abramov) 0.3664095E-02 Vb(Abramov) -0.2442801E-02 Hb(Abramov) 0.1221293E-02 Ex_ueg -0.6162404E-03 Ec_ueg -0.1430138E-03 Delta_ex -0.7252200E-03 Delta_ec 0.1815870E-03 Delta_et -0.1156481E-02 Pxc 0.4308959E+01 Qxc -0.3993789E+01 3,+3 121 3 +1 -0.491125 -1.651983 0.493036 Rho 0.8823397E-02 |GRAD(Rho)| 0.2620389E-14 GRAD(Rho)x 0.1231220E-14 GRAD(Rho)y 0.1963489E-14 GRAD(Rho)z -0.1222803E-14 Laplacian 0.3215913E-01 (-1/4)Del**2(Rho)) -0.8039783E-02 Diamond 0.7994430E-03 Metallicity 0.8073004E+00 Ellipticity -0.1413545E+01 Gb(Abramov) 0.6441609E-02 Vb(Abramov) -0.4843435E-02 Hb(Abramov) 0.1598174E-02 Ex_ueg -0.1346582E-02 Ec_ueg -0.3149866E-03 Delta_ex -0.1438764E-02 Delta_ec 0.3811683E-03 Delta_et -0.2680002E-02 Pxc 0.4275046E+01 Qxc -0.3774617E+01 3,+1 122 3 -1 0.553175 -1.715796 1.741113 Rho 0.4721310E-01 |GRAD(Rho)| 0.1585004E-12 GRAD(Rho)x -0.5564362E-13 GRAD(Rho)y -0.1048358E-12 GRAD(Rho)z 0.1050505E-12 Laplacian 0.1921876E+00 (-1/4)Del**2(Rho)) -0.4804690E-01 Diamond 0.8826548E-01 Metallicity 0.2211356E+01 Ellipticity 0.1163992E-01 Gb(Abramov) 0.4973940E-01 Vb(Abramov) -0.5143190E-01 Hb(Abramov) -0.1692501E-02 Ex_ueg -0.1260284E-01 Ec_ueg -0.2261413E-02 Delta_ex -0.1550693E-01 Delta_ec 0.5575001E-02 Delta_et -0.5787316E-01 Pxc 0.5572993E+01 Qxc -0.2781512E+01 3,-1 123 3 -1 -0.065118 -3.184887 3.211291 Rho 0.2563927E+00 |GRAD(Rho)| 0.3598437E-14 GRAD(Rho)x 0.7051922E-15 GRAD(Rho)y 0.2281270E-14 GRAD(Rho)z -0.2692074E-14 Laplacian 0.9275507E+00 (-1/4)Del**2(Rho)) -0.2318877E+00 Diamond 0.3538296E+01 Metallicity 0.7687498E+01 Ellipticity 0.1241373E-02 Gb(Abramov) 0.4516978E+00 Vb(Abramov) -0.6715079E+00 Hb(Abramov) -0.2198101E+00 Ex_ueg -0.1202983E+00 Ec_ueg -0.1557965E-01 Delta_ex -0.1139578E+00 Delta_ec 0.1996624E-01 Delta_et -0.2764460E+00 Pxc 0.7721500E+01 Qxc -0.5707522E+01 3,-1 124 3 -1 -0.555583 -1.783924 2.775086 Rho 0.1375344E+00 |GRAD(Rho)| 0.2647069E-15 GRAD(Rho)x -0.2475911E-15 GRAD(Rho)y 0.9179127E-16 GRAD(Rho)z -0.1851275E-16 Laplacian 0.5807776E+00 (-1/4)Del**2(Rho)) -0.1451944E+00 Diamond 0.1061744E+01 Metallicity 0.4347992E+01 Ellipticity 0.7430337E-02 Gb(Abramov) 0.2020136E+00 Vb(Abramov) -0.2588328E+00 Hb(Abramov) -0.5681921E-01 Ex_ueg -0.5243244E-01 Ec_ueg -0.7650374E-02 Delta_ex -0.6107581E-01 Delta_ec 0.1507832E-01 Delta_et -0.1982407E+00 Pxc 0.6853578E+01 Qxc -0.4050572E+01 3,-1 125 3 +1 1.317174 1.175750 -2.176866 Rho 0.2999057E-01 |GRAD(Rho)| 0.7295877E-16 GRAD(Rho)x 0.1996064E-16 GRAD(Rho)y 0.1538037E-16 GRAD(Rho)z -0.6846897E-16 Laplacian 0.1191924E+00 (-1/4)Del**2(Rho)) -0.2979809E-01 Diamond 0.2081691E-01 Metallicity 0.1673680E+01 Ellipticity -0.7209514E+01 Gb(Abramov) 0.2817747E-01 Vb(Abramov) -0.2655686E-01 Hb(Abramov) 0.1620618E-02 Ex_ueg -0.6881735E-02 Ec_ueg -0.1343121E-02 Delta_ex -0.7851518E-02 Delta_ec 0.2142106E-02 Delta_et -0.1974510E-01 Pxc 0.5123691E+01 Qxc -0.3665327E+01 3,+1 126 3 -1 0.882302 1.983239 -3.001956 Rho 0.1486350E+00 |GRAD(Rho)| 0.2022871E-13 GRAD(Rho)x -0.1436852E-13 GRAD(Rho)y 0.2231153E-14 GRAD(Rho)z 0.1406301E-13 Laplacian 0.5821667E+00 (-1/4)Del**2(Rho)) -0.1455417E+00 Diamond 0.1171137E+01 Metallicity 0.4936670E+01 Ellipticity 0.4191219E-01 Gb(Abramov) 0.2167763E+00 Vb(Abramov) -0.2880110E+00 Hb(Abramov) -0.7123465E-01 Ex_ueg -0.5814955E-01 Ec_ueg -0.8356189E-02 Delta_ex -0.6242191E-01 Delta_ec 0.1488113E-01 Delta_et -0.1980186E+00 Pxc 0.6958860E+01 Qxc -0.4194702E+01 3,-1 127 3 -1 0.556958 2.773466 1.794634 Rho 0.1437042E+00 |GRAD(Rho)| 0.3335901E-15 GRAD(Rho)x 0.1369483E-15 GRAD(Rho)y -0.4552294E-16 GRAD(Rho)z -0.3007577E-15 Laplacian 0.6070363E+00 (-1/4)Del**2(Rho)) -0.1517591E+00 Diamond 0.1164974E+01 Metallicity 0.4475563E+01 Ellipticity 0.7977443E-02 Gb(Abramov) 0.2143739E+00 Vb(Abramov) -0.2769888E+00 Hb(Abramov) -0.6261486E-01 Ex_ueg -0.5559184E-01 Ec_ueg -0.8041719E-02 Delta_ex -0.6447222E-01 Delta_ec 0.1550118E-01 Delta_et -0.2049520E+00 Pxc 0.6912930E+01 Qxc -0.4159181E+01 3,-1 128 3 +1 0.193600 -2.869613 0.191879 Rho 0.5545628E-02 |GRAD(Rho)| 0.7689309E-16 GRAD(Rho)x 0.5909575E-16 GRAD(Rho)y -0.3151690E-17 GRAD(Rho)z 0.4909486E-16 Laplacian 0.2291308E-01 (-1/4)Del**2(Rho)) -0.5728269E-02 Diamond 0.5696439E-03 Metallicity 0.5225338E+00 Ellipticity -0.2430075E+01 Gb(Abramov) 0.4317715E-02 Vb(Abramov) -0.2907161E-02 Hb(Abramov) 0.1410554E-02 Ex_ueg -0.7249690E-03 Ec_ueg -0.1704685E-03 Delta_ex -0.1126364E-02 Delta_ec 0.6571941E-03 Delta_et -0.3707423E-02 Pxc 0.4252804E+01 Qxc -0.1713898E+01 3,+1 129 3 -1 3.204591 3.206908 0.069759 Rho 0.2563734E+00 |GRAD(Rho)| 0.1780733E-11 GRAD(Rho)x -0.1227601E-11 GRAD(Rho)y -0.1240858E-11 GRAD(Rho)z -0.3525351E-12 Laplacian 0.9265275E+00 (-1/4)Del**2(Rho)) -0.2316319E+00 Diamond 0.3534910E+01 Metallicity 0.7695022E+01 Ellipticity 0.1266387E-02 Gb(Abramov) 0.4514900E+00 Vb(Abramov) -0.6713481E+00 Hb(Abramov) -0.2198581E+00 Ex_ueg -0.1202862E+00 Ec_ueg -0.1557830E-01 Delta_ex -0.1138339E+00 Delta_ec 0.1995197E-01 Delta_et -0.2762834E+00 Pxc 0.7721394E+01 Qxc -0.5705395E+01 3,-1 130 3 -1 -3.194169 -3.188972 0.069775 Rho 0.2563986E+00 |GRAD(Rho)| 0.1216441E-14 GRAD(Rho)x -0.9825040E-15 GRAD(Rho)y -0.6495455E-15 GRAD(Rho)z 0.3041458E-15 Laplacian 0.9259221E+00 (-1/4)Del**2(Rho)) -0.2314805E+00 Diamond 0.3533829E+01 Metallicity 0.7701311E+01 Ellipticity 0.1297078E-02 Gb(Abramov) 0.4514376E+00 Vb(Abramov) -0.6713947E+00 Hb(Abramov) -0.2199571E+00 Ex_ueg -0.1203019E+00 Ec_ueg -0.1558006E-01 Delta_ex -0.1137664E+00 Delta_ec 0.1994540E-01 Delta_et -0.2762268E+00 Pxc 0.7721531E+01 Qxc -0.5703893E+01 3,-1 131 3 -1 -2.730643 0.539703 -1.802574 Rho 0.1160351E+00 |GRAD(Rho)| 0.6271379E-13 GRAD(Rho)x 0.1713827E-13 GRAD(Rho)y 0.6020962E-13 GRAD(Rho)z -0.3755229E-14 Laplacian 0.4807955E+00 (-1/4)Del**2(Rho)) -0.1201989E+00 Diamond 0.7219455E+00 Metallicity 0.3956416E+01 Ellipticity 0.1400005E-01 Gb(Abramov) 0.1593920E+00 Vb(Abramov) -0.1985852E+00 Hb(Abramov) -0.3919316E-01 Ex_ueg -0.4179949E-01 Ec_ueg -0.6306246E-02 Delta_ex -0.4861557E-01 Delta_ec 0.1313049E-01 Delta_et -0.1680148E+00 Pxc 0.6628268E+01 Qxc -0.3702495E+01 3,-1 132 3 -1 -1.992715 0.870876 2.985869 Rho 0.1423076E+00 |GRAD(Rho)| 0.3849424E-12 GRAD(Rho)x -0.2109649E-12 GRAD(Rho)y -0.2833492E-12 GRAD(Rho)z -0.1529302E-12 Laplacian 0.5609496E+00 (-1/4)Del**2(Rho)) -0.1402374E+00 Diamond 0.1070234E+01 Metallicity 0.4765074E+01 Ellipticity 0.3437684E-01 Gb(Abramov) 0.2048652E+00 Vb(Abramov) -0.2694930E+00 Hb(Abramov) -0.6462779E-01 Ex_ueg -0.5487265E-01 Ec_ueg -0.7952924E-02 Delta_ex -0.5950226E-01 Delta_ec 0.1447815E-01 Delta_et -0.1914088E+00 Pxc 0.6899683E+01 Qxc -0.4109798E+01 3,-1 133 3 +1 -1.273453 -2.166964 -1.194768 Rho 0.3005151E-01 |GRAD(Rho)| 0.8618646E-16 GRAD(Rho)x 0.6115982E-16 GRAD(Rho)y -0.6015770E-16 GRAD(Rho)z 0.8284534E-17 Laplacian 0.1206165E+00 (-1/4)Del**2(Rho)) -0.3015414E-01 Diamond 0.2173972E-01 Metallicity 0.1659523E+01 Ellipticity -0.1093179E+02 Gb(Abramov) 0.2844301E-01 Vb(Abramov) -0.2673188E-01 Hb(Abramov) 0.1711130E-02 Ex_ueg -0.6900386E-02 Ec_ueg -0.1346264E-02 Delta_ex -0.8001922E-02 Delta_ec 0.2261022E-02 Delta_et -0.2084371E-01 Pxc 0.5125581E+01 Qxc -0.3539072E+01 3,+1 134 3 -1 -2.867463 0.071624 0.072726 Rho 0.5895060E-02 |GRAD(Rho)| 0.7183078E-17 GRAD(Rho)x 0.4936614E-20 GRAD(Rho)y 0.1841172E-17 GRAD(Rho)z -0.6943103E-17 Laplacian 0.2411399E-01 (-1/4)Del**2(Rho)) -0.6028497E-02 Diamond 0.7880796E-03 Metallicity 0.5497406E+00 Ellipticity 0.3472288E+01 Gb(Abramov) 0.4571350E-02 Vb(Abramov) -0.3114202E-02 Hb(Abramov) 0.1457147E-02 Ex_ueg -0.7865072E-03 Ec_ueg -0.1856319E-03 Delta_ex -0.1302464E-02 Delta_ec 0.8742189E-03 Delta_et -0.4942582E-02 Pxc 0.4236918E+01 Qxc -0.1489860E+01 3,-1 135 3 +1 -2.175416 1.066460 1.411470 Rho 0.3119835E-01 |GRAD(Rho)| 0.5601756E-15 GRAD(Rho)x -0.1461443E-15 GRAD(Rho)y -0.3373106E-15 GRAD(Rho)z 0.4226821E-15 Laplacian 0.1214936E+00 (-1/4)Del**2(Rho)) -0.3037339E-01 Diamond 0.1851943E-01 Metallicity 0.1753662E+01 Ellipticity -0.2660690E+01 Gb(Abramov) 0.2912637E-01 Vb(Abramov) -0.2787935E-01 Hb(Abramov) 0.1247019E-02 Ex_ueg -0.7253716E-02 Ec_ueg -0.1405584E-02 Delta_ex -0.7774260E-02 Delta_ec 0.1622791E-02 Delta_et -0.1513044E-01 Pxc 0.5160644E+01 Qxc -0.4790673E+01 3,+1 136 3 -1 -0.492213 -0.495676 -0.510861 Rho 0.1984963E+00 |GRAD(Rho)| 0.4271409E-15 GRAD(Rho)x 0.1177647E-15 GRAD(Rho)y -0.1388190E-15 GRAD(Rho)z -0.3864067E-15 Laplacian 0.8196297E+00 (-1/4)Del**2(Rho)) -0.2049074E+00 Diamond 0.2743744E+01 Metallicity 0.5678709E+01 Ellipticity 0.4513083E-03 Gb(Abramov) 0.3305399E+00 Vb(Abramov) -0.4561723E+00 Hb(Abramov) -0.1256325E+00 Ex_ueg -0.8551751E-01 Ec_ueg -0.1161745E-01 Delta_ex -0.9728317E-01 Delta_ec 0.2445779E-01 Delta_et -0.3535005E+00 Pxc 0.7361124E+01 Qxc -0.3977594E+01 3,-1 137 3 -1 -0.019066 0.035715 2.888945 Rho 0.5742196E-02 |GRAD(Rho)| 0.1575861E-16 GRAD(Rho)x -0.5628816E-17 GRAD(Rho)y 0.1249904E-16 GRAD(Rho)z -0.7773299E-17 Laplacian 0.2295226E-01 (-1/4)Del**2(Rho)) -0.5738064E-02 Diamond 0.7431316E-03 Metallicity 0.5528209E+00 Ellipticity 0.2147081E+01 Gb(Abramov) 0.4354063E-02 Vb(Abramov) -0.2970062E-02 Hb(Abramov) 0.1384001E-02 Ex_ueg -0.7594323E-03 Ec_ueg -0.1789910E-03 Delta_ex -0.1248329E-02 Delta_ec 0.8583621E-03 Delta_et -0.4805323E-02 Pxc 0.4242851E+01 Qxc -0.1454315E+01 3,-1 138 3 -1 1.819717 -2.772342 -0.538055 Rho 0.1377804E+00 |GRAD(Rho)| 0.1041338E-11 GRAD(Rho)x -0.7631818E-12 GRAD(Rho)y -0.2150518E-12 GRAD(Rho)z -0.6750495E-12 Laplacian 0.5820367E+00 (-1/4)Del**2(Rho)) -0.1455092E+00 Diamond 0.1065879E+01 Metallicity 0.4351530E+01 Ellipticity 0.8848553E-02 Gb(Abramov) 0.2025374E+00 Vb(Abramov) -0.2595656E+00 Hb(Abramov) -0.5702820E-01 Ex_ueg -0.5255754E-01 Ec_ueg -0.7665934E-02 Delta_ex -0.6122974E-01 Delta_ec 0.1509542E-01 Delta_et -0.1985017E+00 Pxc 0.6855987E+01 Qxc -0.4056179E+01 3,-1 139 3 -1 2.000279 -2.983612 0.878517 Rho 0.1423474E+00 |GRAD(Rho)| 0.1916171E-13 GRAD(Rho)x 0.1561319E-13 GRAD(Rho)y -0.4135012E-14 GRAD(Rho)z -0.1031025E-13 Laplacian 0.5614528E+00 (-1/4)Del**2(Rho)) -0.1403632E+00 Diamond 0.1071859E+01 Metallicity 0.4763019E+01 Ellipticity 0.3558268E-01 Gb(Abramov) 0.2050009E+00 Vb(Abramov) -0.2696386E+00 Hb(Abramov) -0.6463770E-01 Ex_ueg -0.5489309E-01 Ec_ueg -0.7955449E-02 Delta_ex -0.5956295E-01 Delta_ec 0.1449597E-01 Delta_et -0.1916647E+00 Pxc 0.6900061E+01 Qxc -0.4108933E+01 3,-1 140 3 +1 1.747456 -1.738438 -1.719598 Rho 0.1243466E-01 |GRAD(Rho)| 0.7616303E-17 GRAD(Rho)x -0.5955787E-17 GRAD(Rho)y -0.4582313E-17 GRAD(Rho)z 0.1240596E-17 Laplacian 0.6337247E-01 (-1/4)Del**2(Rho)) -0.1584312E-01 Diamond 0.2660125E-02 Metallicity 0.7257198E+00 Ellipticity -0.1240171E+01 Gb(Abramov) 0.1247836E-01 Vb(Abramov) -0.9113594E-02 Hb(Abramov) 0.3364762E-02 Ex_ueg -0.2127634E-02 Ec_ueg -0.4796714E-03 Delta_ex -0.3142732E-02 Delta_ec 0.8195043E-03 Delta_et -0.6200847E-02 Pxc 0.4435607E+01 Qxc -0.3834918E+01 3,+1 141 3 -1 1.738962 -1.720345 0.571063 Rho 0.4550807E-01 |GRAD(Rho)| 0.1033775E-15 GRAD(Rho)x 0.5587707E-16 GRAD(Rho)y -0.7884776E-16 GRAD(Rho)z -0.3671104E-16 Laplacian 0.1839962E+00 (-1/4)Del**2(Rho)) -0.4599906E-01 Diamond 0.8008450E-01 Metallicity 0.2172459E+01 Ellipticity 0.9991697E-02 Gb(Abramov) 0.4732122E-01 Vb(Abramov) -0.4864337E-01 Hb(Abramov) -0.1322159E-02 Ex_ueg -0.1199968E-01 Ec_ueg -0.2168124E-02 Delta_ex -0.1469469E-01 Delta_ec 0.5313052E-02 Delta_et -0.5461904E-01 Pxc 0.5534592E+01 Qxc -0.2765772E+01 3,-1 142 3 -1 -3.166079 0.048556 -3.215209 Rho 0.2565809E+00 |GRAD(Rho)| 0.6311616E-15 GRAD(Rho)x 0.5724587E-15 GRAD(Rho)y -0.7277707E-16 GRAD(Rho)z 0.2556549E-15 Laplacian 0.9338608E+00 (-1/4)Del**2(Rho)) -0.2334652E+00 Diamond 0.3560923E+01 Metallicity 0.7644896E+01 Ellipticity 0.3664446E-02 Gb(Abramov) 0.4531130E+00 Vb(Abramov) -0.6727608E+00 Hb(Abramov) -0.2196478E+00 Ex_ueg -0.1204160E+00 Ec_ueg -0.1559283E-01 Delta_ex -0.1147328E+00 Delta_ec 0.2005760E-01 Delta_et -0.2775204E+00 Pxc 0.7722525E+01 Qxc -0.5720167E+01 3,-1 143 3 -1 -3.203620 -0.055145 3.200554 Rho 0.2569251E+00 |GRAD(Rho)| 0.6331493E-15 GRAD(Rho)x -0.3556183E-15 GRAD(Rho)y -0.1084202E-15 GRAD(Rho)z 0.5125024E-15 Laplacian 0.9269855E+00 (-1/4)Del**2(Rho)) -0.2317464E+00 Diamond 0.3549883E+01 Metallicity 0.7718825E+01 Ellipticity 0.1490340E-02 Gb(Abramov) 0.4526325E+00 Vb(Abramov) -0.6735187E+00 Hb(Abramov) -0.2208862E+00 Ex_ueg -0.1206314E+00 Ec_ueg -0.1561694E-01 Delta_ex -0.1139744E+00 Delta_ec 0.1998385E-01 Delta_et -0.2769027E+00 Pxc 0.7724398E+01 Qxc -0.5703324E+01 3,-1 144 3 -1 -2.990913 0.866169 1.983621 Rho 0.1343814E+00 |GRAD(Rho)| 0.2861526E-15 GRAD(Rho)x 0.1618917E-15 GRAD(Rho)y 0.5061869E-16 GRAD(Rho)z 0.2304607E-15 Laplacian 0.5311465E+00 (-1/4)Del**2(Rho)) -0.1327866E+00 Diamond 0.9479719E+00 Metallicity 0.4574014E+01 Ellipticity 0.4460249E-01 Gb(Abramov) 0.1897524E+00 Vb(Abramov) -0.2467182E+00 Hb(Abramov) -0.5696577E-01 Ex_ueg -0.5083591E-01 Ec_ueg -0.7451326E-02 Delta_ex -0.5558527E-01 Delta_ec 0.1394224E-01 Delta_et -0.1827901E+00 Pxc 0.6822398E+01 Qxc -0.3986826E+01 3,-1 145 3 +1 1.278497 -2.155348 1.219612 Rho 0.2944693E-01 |GRAD(Rho)| 0.4067137E-16 GRAD(Rho)x 0.2946276E-16 GRAD(Rho)y 0.1405871E-16 GRAD(Rho)z -0.2425817E-16 Laplacian 0.1175252E+00 (-1/4)Del**2(Rho)) -0.2938129E-01 Diamond 0.2053056E-01 Metallicity 0.1646451E+01 Ellipticity -0.9715761E+01 Gb(Abramov) 0.2765001E-01 Vb(Abramov) -0.2591872E-01 Hb(Abramov) 0.1731286E-02 Ex_ueg -0.6715912E-02 Ec_ueg -0.1315114E-02 Delta_ex -0.7748865E-02 Delta_ec 0.2192466E-02 Delta_et -0.2011189E-01 Pxc 0.5106713E+01 Qxc -0.3534314E+01 3,+1 146 3 -1 -0.534113 1.795731 -2.767142 Rho 0.1395387E+00 |GRAD(Rho)| 0.2222791E-14 GRAD(Rho)x 0.1331075E-14 GRAD(Rho)y 0.1769066E-14 GRAD(Rho)z 0.1986123E-15 Laplacian 0.5899134E+00 (-1/4)Del**2(Rho)) -0.1474783E+00 Diamond 0.1097431E+01 Metallicity 0.4385132E+01 Ellipticity 0.9863167E-02 Gb(Abramov) 0.2061042E+00 Vb(Abramov) -0.2647301E+00 Hb(Abramov) -0.5862590E-01 Ex_ueg -0.5345372E-01 Ec_ueg -0.7777241E-02 Delta_ex -0.6225600E-01 Delta_ec 0.1526335E-01 Delta_et -0.2011204E+00 Pxc 0.6873096E+01 Qxc -0.4078791E+01 3,-1 147 3 -1 0.583528 -2.783251 -1.783206 Rho 0.1455251E+00 |GRAD(Rho)| 0.5998186E-15 GRAD(Rho)x -0.3017877E-15 GRAD(Rho)y 0.3530433E-17 GRAD(Rho)z -0.5183571E-15 Laplacian 0.6138188E+00 (-1/4)Del**2(Rho)) -0.1534547E+00 Diamond 0.1198462E+01 Metallicity 0.4519979E+01 Ellipticity 0.8769733E-02 Gb(Abramov) 0.2179051E+00 Vb(Abramov) -0.2823555E+00 Hb(Abramov) -0.6445043E-01 Ex_ueg -0.5653305E-01 Ec_ueg -0.8157677E-02 Delta_ex -0.6541998E-01 Delta_ec 0.1567249E-01 Delta_et -0.2076972E+00 Pxc 0.6930043E+01 Qxc -0.4174193E+01 3,-1 148 3 -1 0.008379 -2.876516 0.005630 Rho 0.5599473E-02 |GRAD(Rho)| 0.3814084E-17 GRAD(Rho)x -0.2684700E-17 GRAD(Rho)y 0.2713207E-18 GRAD(Rho)z 0.2695553E-17 Laplacian 0.2241650E-01 (-1/4)Del**2(Rho)) -0.5604124E-02 Diamond 0.6971742E-03 Metallicity 0.5427803E+00 Ellipticity 0.2431313E+01 Gb(Abramov) 0.4243051E-02 Vb(Abramov) -0.2881978E-02 Hb(Abramov) 0.1361073E-02 Ex_ueg -0.7343695E-03 Ec_ueg -0.1728011E-03 Delta_ex -0.1209966E-02 Delta_ec 0.8319485E-03 Delta_et -0.4624030E-02 Pxc 0.4249796E+01 Qxc -0.1454376E+01 3,-1 149 3 -1 0.862592 -2.979925 2.003171 Rho 0.1424592E+00 |GRAD(Rho)| 0.4393250E-13 GRAD(Rho)x 0.1873175E-13 GRAD(Rho)y 0.1852041E-13 GRAD(Rho)z -0.3515936E-13 Laplacian 0.5613934E+00 (-1/4)Del**2(Rho)) -0.1403483E+00 Diamond 0.1073672E+01 Metallicity 0.4769760E+01 Ellipticity 0.3550971E-01 Gb(Abramov) 0.2051369E+00 Vb(Abramov) -0.2699254E+00 Hb(Abramov) -0.6478853E-01 Ex_ueg -0.5495057E-01 Ec_ueg -0.7962552E-02 Delta_ex -0.5957782E-01 Delta_ec 0.1450910E-01 Delta_et -0.1918979E+00 Pxc 0.6901125E+01 Qxc -0.4106239E+01 3,-1 150 3 -1 0.577899 -1.811459 -2.754343 Rho 0.1405136E+00 |GRAD(Rho)| 0.1760324E-15 GRAD(Rho)x -0.1725101E-15 GRAD(Rho)y 0.1956985E-16 GRAD(Rho)z -0.2906339E-16 Laplacian 0.5921355E+00 (-1/4)Del**2(Rho)) -0.1480339E+00 Diamond 0.1107827E+01 Metallicity 0.4419665E+01 Ellipticity 0.7313597E-02 Gb(Abramov) 0.2077326E+00 Vb(Abramov) -0.2674313E+00 Hb(Abramov) -0.5969872E-01 Ex_ueg -0.5395225E-01 Ec_ueg -0.7839041E-02 Delta_ex -0.6256403E-01 Delta_ec 0.1523689E-01 Delta_et -0.2008617E+00 Pxc 0.6882506E+01 Qxc -0.4106090E+01 3,-1 151 3 -1 0.856969 -1.972556 3.002257 Rho 0.1414779E+00 |GRAD(Rho)| 0.4126154E-12 GRAD(Rho)x -0.3098537E-12 GRAD(Rho)y -0.2125442E-12 GRAD(Rho)z -0.1704908E-12 Laplacian 0.5572348E+00 (-1/4)Del**2(Rho)) -0.1393087E+00 Diamond 0.1056540E+01 Metallicity 0.4750316E+01 Ellipticity 0.3482865E-01 Gb(Abramov) 0.2031659E+00 Vb(Abramov) -0.2670230E+00 Hb(Abramov) -0.6385716E-01 Ex_ueg -0.5444648E-01 Ec_ueg -0.7900228E-02 Delta_ex -0.5903301E-01 Delta_ec 0.1441886E-01 Delta_et -0.1904924E+00 Pxc 0.6891761E+01 Qxc -0.4094151E+01 3,-1 152 3 -1 1.739939 1.733521 -0.554690 Rho 0.4685130E-01 |GRAD(Rho)| 0.6375697E-16 GRAD(Rho)x -0.5432573E-16 GRAD(Rho)y -0.1651545E-16 GRAD(Rho)z -0.2899838E-16 Laplacian 0.1907524E+00 (-1/4)Del**2(Rho)) -0.4768810E-01 Diamond 0.8653380E-01 Metallicity 0.2199611E+01 Ellipticity 0.1096930E-01 Gb(Abramov) 0.4927461E-01 Vb(Abramov) -0.5086112E-01 Hb(Abramov) -0.1586509E-02 Ex_ueg -0.1247423E-01 Ec_ueg -0.2241579E-02 Delta_ex -0.1535376E-01 Delta_ec 0.5520198E-02 Delta_et -0.5718585E-01 Pxc 0.5564932E+01 Qxc -0.2781379E+01 3,-1 153 3 -1 3.217829 -0.076802 -3.185286 Rho 0.2563744E+00 |GRAD(Rho)| 0.4368457E-15 GRAD(Rho)x -0.2810252E-15 GRAD(Rho)y 0.1019421E-15 GRAD(Rho)z 0.3185386E-15 Laplacian 0.9276737E+00 (-1/4)Del**2(Rho)) -0.2319184E+00 Diamond 0.3538083E+01 Metallicity 0.7685565E+01 Ellipticity 0.1369880E-02 Gb(Abramov) 0.4516830E+00 Vb(Abramov) -0.6714475E+00 Hb(Abramov) -0.2197645E+00 Ex_ueg -0.1202868E+00 Ec_ueg -0.1557837E-01 Delta_ex -0.1139689E+00 Delta_ec 0.1996604E-01 Delta_et -0.2764271E+00 Pxc 0.7721400E+01 Qxc -0.5708137E+01 3,-1 154 3 -1 2.880908 0.006534 0.015137 Rho 0.5557545E-02 |GRAD(Rho)| 0.1817152E-16 GRAD(Rho)x -0.1442526E-16 GRAD(Rho)y 0.1086370E-16 GRAD(Rho)z 0.2023840E-17 Laplacian 0.2226017E-01 (-1/4)Del**2(Rho)) -0.5565043E-02 Diamond 0.6816117E-03 Metallicity 0.5397876E+00 Ellipticity 0.2640730E+01 Gb(Abramov) 0.4210686E-02 Vb(Abramov) -0.2856328E-02 Hb(Abramov) 0.1354357E-02 Ex_ueg -0.7270468E-03 Ec_ueg -0.1709846E-03 Delta_ex -0.1196843E-02 Delta_ec 0.8207564E-03 Delta_et -0.4553222E-02 Pxc 0.4252119E+01 Qxc -0.1458219E+01 3,-1 155 3 -1 3.202133 0.078611 3.215202 Rho 0.2565089E+00 |GRAD(Rho)| 0.3550732E-14 GRAD(Rho)x -0.2687412E-14 GRAD(Rho)y -0.2284197E-14 GRAD(Rho)z -0.4098284E-15 Laplacian 0.9277643E+00 (-1/4)Del**2(Rho)) -0.2319411E+00 Diamond 0.3541112E+01 Metallicity 0.7691531E+01 Ellipticity 0.1611754E-02 Gb(Abramov) 0.4519577E+00 Vb(Abramov) -0.6719744E+00 Hb(Abramov) -0.2200166E+00 Ex_ueg -0.1203709E+00 Ec_ueg -0.1558778E-01 Delta_ex -0.1139979E+00 Delta_ec 0.1996868E-01 Delta_et -0.2764843E+00 Pxc 0.7722132E+01 Qxc -0.5708838E+01 3,-1 156 3 -1 1.743300 0.549084 -1.728046 Rho 0.4763453E-01 |GRAD(Rho)| 0.1546383E-16 GRAD(Rho)x 0.3438954E-17 GRAD(Rho)y 0.4678798E-17 GRAD(Rho)z 0.1433222E-16 Laplacian 0.1942956E+00 (-1/4)Del**2(Rho)) -0.4857389E-01 Diamond 0.9037751E-01 Metallicity 0.2220002E+01 Ellipticity 0.1115223E-01 Gb(Abramov) 0.5035496E-01 Vb(Abramov) -0.5213602E-01 Hb(Abramov) -0.1781063E-02 Ex_ueg -0.1275306E-01 Ec_ueg -0.2284543E-02 Delta_ex -0.1571490E-01 Delta_ec 0.5640606E-02 Delta_et -0.5869152E-01 Pxc 0.5582323E+01 Qxc -0.2786030E+01 3,-1 157 3 -1 -2.763053 -1.788397 0.559238 Rho 0.1411555E+00 |GRAD(Rho)| 0.3591209E-15 GRAD(Rho)x -0.7971596E-16 GRAD(Rho)y 0.2246196E-15 GRAD(Rho)z 0.2686246E-15 Laplacian 0.5956767E+00 (-1/4)Del**2(Rho)) -0.1489192E+00 Diamond 0.1121824E+01 Metallicity 0.4426891E+01 Ellipticity 0.8202423E-02 Gb(Abramov) 0.2091543E+00 Vb(Abramov) -0.2693894E+00 Hb(Abramov) -0.6023509E-01 Ex_ueg -0.5428111E-01 Ec_ueg -0.7879764E-02 Delta_ex -0.6302171E-01 Delta_ec 0.1533511E-01 Delta_et -0.2023451E+00 Pxc 0.6888672E+01 Qxc -0.4109634E+01 3,-1 158 3 -1 -1.793976 -2.758411 0.564633 Rho 0.1417219E+00 |GRAD(Rho)| 0.4374721E-15 GRAD(Rho)x -0.4296558E-15 GRAD(Rho)y 0.4669523E-16 GRAD(Rho)z -0.6780329E-16 Laplacian 0.5977497E+00 (-1/4)Del**2(Rho)) -0.1494374E+00 Diamond 0.1131054E+01 Metallicity 0.4441082E+01 Ellipticity 0.9085575E-02 Gb(Abramov) 0.2102356E+00 Vb(Abramov) -0.2710338E+00 Hb(Abramov) -0.6079817E-01 Ex_ueg -0.5457173E-01 Ec_ueg -0.7915721E-02 Delta_ex -0.6330173E-01 Delta_ec 0.1537148E-01 Delta_et -0.2029418E+00 Pxc 0.6894095E+01 Qxc -0.4118129E+01 3,-1 159 3 -1 -1.718674 -1.725356 -0.555340 Rho 0.4646523E-01 |GRAD(Rho)| 0.5304473E-14 GRAD(Rho)x -0.3508374E-14 GRAD(Rho)y -0.3427503E-14 GRAD(Rho)z 0.2020142E-14 Laplacian 0.1886889E+00 (-1/4)Del**2(Rho)) -0.4717222E-01 Diamond 0.8450746E-01 Metallicity 0.2193210E+01 Ellipticity 0.1073092E-01 Gb(Abramov) 0.4869125E-01 Vb(Abramov) -0.5021028E-01 Hb(Abramov) -0.1519026E-02 Ex_ueg -0.1233737E-01 Ec_ueg -0.2220437E-02 Delta_ex -0.1514974E-01 Delta_ec 0.5449592E-02 Delta_et -0.5632969E-01 Pxc 0.5556279E+01 Qxc -0.2779977E+01 3,-1 160 3 -1 -0.045512 3.194384 -3.202646 Rho 0.2564922E+00 |GRAD(Rho)| 0.7104291E-15 GRAD(Rho)x 0.2702645E-15 GRAD(Rho)y -0.6024911E-15 GRAD(Rho)z 0.2620517E-15 Laplacian 0.9314356E+00 (-1/4)Del**2(Rho)) -0.2328589E+00 Diamond 0.3551873E+01 Metallicity 0.7660386E+01 Ellipticity 0.2005850E-02 Gb(Abramov) 0.4525374E+00 Vb(Abramov) -0.6722160E+00 Hb(Abramov) -0.2196786E+00 Ex_ueg -0.1203605E+00 Ec_ueg -0.1558662E-01 Delta_ex -0.1144326E+00 Delta_ec 0.2002222E-01 Delta_et -0.2771004E+00 Pxc 0.7722042E+01 Qxc -0.5715280E+01 3,-1 161 3 -1 0.066020 3.215832 3.189996 Rho 0.2571013E+00 |GRAD(Rho)| 0.1776321E-15 GRAD(Rho)x -0.5320722E-16 GRAD(Rho)y 0.2276825E-17 GRAD(Rho)z 0.1694608E-15 Laplacian 0.9282130E+00 (-1/4)Del**2(Rho)) -0.2320532E+00 Diamond 0.3557634E+01 Metallicity 0.7717428E+01 Ellipticity 0.2112603E-02 Gb(Abramov) 0.4531779E+00 Vb(Abramov) -0.6743025E+00 Hb(Abramov) -0.2211246E+00 Ex_ueg -0.1207417E+00 Ec_ueg -0.1562928E-01 Delta_ex -0.1141465E+00 Delta_ec 0.2000709E-01 Delta_et -0.2772320E+00 Pxc 0.7725355E+01 Qxc -0.5705300E+01 3,-1 162 3 -1 0.561003 1.810865 2.775990 Rho 0.1488013E+00 |GRAD(Rho)| 0.2263908E-12 GRAD(Rho)x 0.1467061E-12 GRAD(Rho)y -0.1674880E-12 GRAD(Rho)z 0.4096222E-13 Laplacian 0.6269736E+00 (-1/4)Del**2(Rho)) -0.1567434E+00 Diamond 0.1256102E+01 Metallicity 0.4592422E+01 Ellipticity 0.9144616E-02 Gb(Abramov) 0.2244676E+00 Vb(Abramov) -0.2921918E+00 Hb(Abramov) -0.6772419E-01 Ex_ueg -0.5823634E-01 Ec_ueg -0.8366825E-02 Delta_ex -0.6717556E-01 Delta_ec 0.1589858E-01 Delta_et -0.2113110E+00 Pxc 0.6960387E+01 Qxc -0.4225256E+01 3,-1 163 3 +1 2.873853 -0.166161 0.188774 Rho 0.5515431E-02 |GRAD(Rho)| 0.3436680E-17 GRAD(Rho)x -0.4082894E-18 GRAD(Rho)y 0.3378364E-17 GRAD(Rho)z 0.4803376E-18 Laplacian 0.2274333E-01 (-1/4)Del**2(Rho)) -0.5685833E-02 Diamond 0.5680782E-03 Metallicity 0.5216649E+00 Ellipticity -0.2583142E+01 Gb(Abramov) 0.4284905E-02 Vb(Abramov) -0.2883977E-02 Hb(Abramov) 0.1400928E-02 Ex_ueg -0.7197103E-03 Ec_ueg -0.1691609E-03 Delta_ex -0.1122322E-02 Delta_ec 0.6622091E-03 Delta_et -0.3725334E-02 Pxc 0.4254590E+01 Qxc -0.1694815E+01 3,+1 164 3 -1 1.989673 -0.841931 3.003953 Rho 0.1426878E+00 |GRAD(Rho)| 0.3142154E-12 GRAD(Rho)x -0.1726582E-12 GRAD(Rho)y -0.2254310E-12 GRAD(Rho)z 0.1345410E-12 Laplacian 0.5625515E+00 (-1/4)Del**2(Rho)) -0.1406379E+00 Diamond 0.1077038E+01 Metallicity 0.4772681E+01 Ellipticity 0.3649266E-01 Gb(Abramov) 0.2056285E+00 Vb(Abramov) -0.2706192E+00 Hb(Abramov) -0.6499066E-01 Ex_ueg -0.5506821E-01 Ec_ueg -0.7977085E-02 Delta_ex -0.5971424E-01 Delta_ec 0.1451578E-01 Delta_et -0.1919947E+00 Pxc 0.6903300E+01 Qxc -0.4113748E+01 3,-1 165 3 -1 3.219092 -3.195114 -0.035901 Rho 0.2566012E+00 |GRAD(Rho)| 0.2438196E-14 GRAD(Rho)x 0.4434387E-16 GRAD(Rho)y 0.1841734E-14 GRAD(Rho)z -0.1597138E-14 Laplacian 0.9256867E+00 (-1/4)Del**2(Rho)) -0.2314217E+00 Diamond 0.3536593E+01 Metallicity 0.7713418E+01 Ellipticity 0.1299304E-02 Gb(Abramov) 0.4517898E+00 Vb(Abramov) -0.6721579E+00 Hb(Abramov) -0.2203681E+00 Ex_ueg -0.1204287E+00 Ec_ueg -0.1559425E-01 Delta_ex -0.1137626E+00 Delta_ec 0.1993809E-01 Delta_et -0.2761410E+00 Pxc 0.7722635E+01 Qxc -0.5705791E+01 3,-1 166 3 -1 -0.553219 -2.756859 1.808867 Rho 0.1403733E+00 |GRAD(Rho)| 0.2184405E-13 GRAD(Rho)x 0.2111581E-13 GRAD(Rho)y -0.5558528E-14 GRAD(Rho)z -0.6226844E-15 Laplacian 0.5926982E+00 (-1/4)Del**2(Rho)) -0.1481746E+00 Diamond 0.1108624E+01 Metallicity 0.4408124E+01 Ellipticity 0.7973005E-02 Gb(Abramov) 0.2076450E+00 Vb(Abramov) -0.2671155E+00 Hb(Abramov) -0.5947045E-01 Ex_ueg -0.5388044E-01 Ec_ueg -0.7830145E-02 Delta_ex -0.6261992E-01 Delta_ec 0.1527594E-01 Delta_et -0.2013901E+00 Pxc 0.6881155E+01 Qxc -0.4099251E+01 3,-1 167 3 -1 -0.832222 -2.005605 -2.990981 Rho 0.1307019E+00 |GRAD(Rho)| 0.2255593E-09 GRAD(Rho)x 0.1619753E-09 GRAD(Rho)y -0.1220508E-09 GRAD(Rho)z 0.9871464E-10 Laplacian 0.5154991E+00 (-1/4)Del**2(Rho)) -0.1288748E+00 Diamond 0.8891675E+00 Metallicity 0.4499748E+01 Ellipticity 0.2714513E-01 Gb(Abramov) 0.1825672E+00 Vb(Abramov) -0.2362596E+00 Hb(Abramov) -0.5369241E-01 Ex_ueg -0.4898849E-01 Ec_ueg -0.7219852E-02 Delta_ex -0.5357916E-01 Delta_ec 0.1360688E-01 Delta_et -0.1775708E+00 Pxc 0.6785249E+01 Qxc -0.3937652E+01 3,-1 168 3 -1 0.508522 0.508008 -0.507479 Rho 0.1992594E+00 |GRAD(Rho)| 0.1129729E-13 GRAD(Rho)x -0.6527220E-14 GRAD(Rho)y -0.6064537E-14 GRAD(Rho)z 0.6945907E-14 Laplacian 0.8224051E+00 (-1/4)Del**2(Rho)) -0.2056013E+00 Diamond 0.2767038E+01 Metallicity 0.5695854E+01 Ellipticity 0.4433012E-03 Gb(Abramov) 0.3322467E+00 Vb(Abramov) -0.4588920E+00 Hb(Abramov) -0.1266454E+00 Ex_ueg -0.8595614E-01 Ec_ueg -0.1166847E-01 Delta_ex -0.9771256E-01 Delta_ec 0.2453332E-01 Delta_et -0.3548409E+00 Pxc 0.7366529E+01 Qxc -0.3982851E+01 3,-1 169 3 -1 2.005202 0.850751 -2.988966 Rho 0.1362123E+00 |GRAD(Rho)| 0.4016712E-14 GRAD(Rho)x 0.1366420E-14 GRAD(Rho)y 0.3770408E-14 GRAD(Rho)z 0.2256089E-15 Laplacian 0.5367806E+00 (-1/4)Del**2(Rho)) -0.1341951E+00 Diamond 0.9727842E+00 Metallicity 0.4629246E+01 Ellipticity 0.3199157E-01 Gb(Abramov) 0.1930005E+00 Vb(Abramov) -0.2518058E+00 Hb(Abramov) -0.5880534E-01 Ex_ueg -0.5176150E-01 Ec_ueg -0.7566833E-02 Delta_ex -0.5634847E-01 Delta_ec 0.1402518E-01 Delta_et -0.1842323E+00 Pxc 0.6840576E+01 Qxc -0.4017663E+01 3,-1 170 3 -1 2.783228 -0.562453 -1.786396 Rho 0.1425222E+00 |GRAD(Rho)| 0.2817053E-13 GRAD(Rho)x -0.1918826E-13 GRAD(Rho)y -0.9767035E-15 GRAD(Rho)z -0.2060183E-13 Laplacian 0.6012213E+00 (-1/4)Del**2(Rho)) -0.1503053E+00 Diamond 0.1145533E+01 Metallicity 0.4457072E+01 Ellipticity 0.8403065E-02 Gb(Abramov) 0.2118572E+00 Vb(Abramov) -0.2734090E+00 Hb(Abramov) -0.6155183E-01 Ex_ueg -0.5498299E-01 Ec_ueg -0.7966558E-02 Delta_ex -0.6375896E-01 Delta_ec 0.1544305E-01 Delta_et -0.2040645E+00 Pxc 0.6901725E+01 Qxc -0.4128650E+01 3,-1 171 3 -1 2.770726 0.569811 1.814837 Rho 0.1408474E+00 |GRAD(Rho)| 0.2695509E-13 GRAD(Rho)x 0.1499797E-13 GRAD(Rho)y -0.2205633E-13 GRAD(Rho)z 0.3893085E-14 Laplacian 0.5951462E+00 (-1/4)Del**2(Rho)) -0.1487866E+00 Diamond 0.1117620E+01 Metallicity 0.4414729E+01 Ellipticity 0.7859708E-02 Gb(Abramov) 0.2086664E+00 Vb(Abramov) -0.2685463E+00 Hb(Abramov) -0.5987986E-01 Ex_ueg -0.5412319E-01 Ec_ueg -0.7860213E-02 Delta_ex -0.6292916E-01 Delta_ec 0.1532449E-01 Delta_et -0.2021281E+00 Pxc 0.6885715E+01 Qxc -0.4106445E+01 3,-1 172 3 +1 -1.049046 2.181797 1.420982 Rho 0.3113838E-01 |GRAD(Rho)| 0.6385886E-16 GRAD(Rho)x 0.1681123E-16 GRAD(Rho)y 0.6159257E-16 GRAD(Rho)z 0.1300877E-17 Laplacian 0.1215573E+00 (-1/4)Del**2(Rho)) -0.3038933E-01 Diamond 0.1801237E-01 Metallicity 0.1747131E+01 Ellipticity -0.2463905E+01 Gb(Abramov) 0.2910857E-01 Vb(Abramov) -0.2782782E-01 Hb(Abramov) 0.1280755E-02 Ex_ueg -0.7235131E-02 Ec_ueg -0.1402474E-02 Delta_ex -0.7736279E-02 Delta_ec 0.1556010E-02 Delta_et -0.1450686E-01 Pxc 0.5158833E+01 Qxc -0.4971869E+01 3,+1 173 3 -1 0.572307 1.727238 -1.738389 Rho 0.4881809E-01 |GRAD(Rho)| 0.2486021E-12 GRAD(Rho)x -0.1049504E-12 GRAD(Rho)y -0.2252980E-12 GRAD(Rho)z -0.5408472E-14 Laplacian 0.1997395E+00 (-1/4)Del**2(Rho)) -0.4993488E-01 Diamond 0.9612619E-01 Metallicity 0.2249661E+01 Ellipticity 0.1076715E-01 Gb(Abramov) 0.5201268E-01 Vb(Abramov) -0.5409048E-01 Hb(Abramov) -0.2077800E-02 Ex_ueg -0.1317729E-01 Ec_ueg -0.2349647E-02 Delta_ex -0.1625843E-01 Delta_ec 0.5802567E-02 Delta_et -0.6076557E-01 Pxc 0.5608199E+01 Qxc -0.2801937E+01 3,-1 174 3 -1 1.814441 -0.564207 -2.757720 Rho 0.1406482E+00 |GRAD(Rho)| 0.2362144E-14 GRAD(Rho)x 0.1575563E-14 GRAD(Rho)y 0.1713094E-14 GRAD(Rho)z 0.4032826E-15 Laplacian 0.5924834E+00 (-1/4)Del**2(Rho)) -0.1481209E+00 Diamond 0.1109950E+01 Metallicity 0.4424125E+01 Ellipticity 0.8347654E-02 Gb(Abramov) 0.2079648E+00 Vb(Abramov) -0.2678087E+00 Hb(Abramov) -0.5984390E-01 Ex_ueg -0.5402118E-01 Ec_ueg -0.7847579E-02 Delta_ex -0.6261753E-01 Delta_ec 0.1524607E-01 Delta_et -0.2010195E+00 Pxc 0.6883801E+01 Qxc -0.4107126E+01 3,-1 175 3 -1 1.733166 -0.538265 1.742888 Rho 0.4702223E-01 |GRAD(Rho)| 0.2340035E-14 GRAD(Rho)x 0.1897402E-14 GRAD(Rho)y 0.9060542E-15 GRAD(Rho)z 0.1026985E-14 Laplacian 0.1913305E+00 (-1/4)Del**2(Rho)) -0.4783262E-01 Diamond 0.8736642E-01 Metallicity 0.2206316E+01 Ellipticity 0.1182689E-01 Gb(Abramov) 0.4947739E-01 Vb(Abramov) -0.5112216E-01 Hb(Abramov) -0.1644772E-02 Ex_ueg -0.1253495E-01 Ec_ueg -0.2250947E-02 Delta_ex -0.1542096E-01 Delta_ec 0.5548418E-02 Delta_et -0.5753577E-01 Pxc 0.5568746E+01 Qxc -0.2779343E+01 3,-1 176 3 -1 3.004370 -1.980009 0.879522 Rho 0.1420333E+00 |GRAD(Rho)| 0.2340191E-15 GRAD(Rho)x 0.2159053E-15 GRAD(Rho)y 0.5236696E-16 GRAD(Rho)z 0.7353601E-16 Laplacian 0.5606128E+00 (-1/4)Del**2(Rho)) -0.1401532E+00 Diamond 0.1067785E+01 Metallicity 0.4752629E+01 Ellipticity 0.3539726E-01 Gb(Abramov) 0.2044515E+00 Vb(Abramov) -0.2687498E+00 Hb(Abramov) -0.6429828E-01 Ex_ueg -0.5473167E-01 Ec_ueg -0.7935498E-02 Delta_ex -0.5944574E-01 Delta_ec 0.1448908E-01 Delta_et -0.1915254E+00 Pxc 0.6897068E+01 Qxc -0.4102795E+01 3,-1 177 3 -1 2.999579 -0.846002 2.005622 Rho 0.1434757E+00 |GRAD(Rho)| 0.3294443E-12 GRAD(Rho)x 0.1418056E-12 GRAD(Rho)y -0.2379105E-12 GRAD(Rho)z -0.1783908E-12 Laplacian 0.5654074E+00 (-1/4)Del**2(Rho)) -0.1413518E+00 Diamond 0.1090694E+01 Metallicity 0.4792353E+01 Ellipticity 0.3639829E-01 Gb(Abramov) 0.2071359E+00 Vb(Abramov) -0.2729199E+00 Hb(Abramov) -0.6578405E-01 Ex_ueg -0.5547399E-01 Ec_ueg -0.8027180E-02 Delta_ex -0.6010871E-01 Delta_ec 0.1458878E-01 Delta_et -0.1931586E+00 Pxc 0.6910770E+01 Qxc -0.4120200E+01 3,-1 178 3 -1 -2.766395 -0.547352 1.801113 Rho 0.1411847E+00 |GRAD(Rho)| 0.1190776E-15 GRAD(Rho)x 0.6337162E-16 GRAD(Rho)y 0.8563842E-16 GRAD(Rho)z 0.5319367E-16 Laplacian 0.5955806E+00 (-1/4)Del**2(Rho)) -0.1488951E+00 Diamond 0.1120864E+01 Metallicity 0.4429132E+01 Ellipticity 0.8187223E-02 Gb(Abramov) 0.2091761E+00 Vb(Abramov) -0.2694571E+00 Hb(Abramov) -0.6028100E-01 Ex_ueg -0.5429609E-01 Ec_ueg -0.7881617E-02 Delta_ex -0.6300329E-01 Delta_ec 0.1531148E-01 Delta_et -0.2019964E+00 Pxc 0.6888952E+01 Qxc -0.4114776E+01 3,-1 179 3 -1 -1.978214 2.968592 0.837517 Rho 0.1573036E+00 |GRAD(Rho)| 0.1687172E-12 GRAD(Rho)x 0.3310846E-13 GRAD(Rho)y 0.7943257E-13 GRAD(Rho)z -0.1451199E-12 Laplacian 0.6146711E+00 (-1/4)Del**2(Rho)) -0.1536678E+00 Diamond 0.1313036E+01 Metallicity 0.5138876E+01 Ellipticity 0.3382288E-01 Gb(Abramov) 0.2340585E+00 Vb(Abramov) -0.3144491E+00 Hb(Abramov) -0.8039068E-01 Ex_ueg -0.6271479E-01 Ec_ueg -0.8912677E-02 Delta_ex -0.6673417E-01 Delta_ec 0.1531458E-01 Delta_et -0.2049409E+00 Pxc 0.7036582E+01 Qxc -0.4357558E+01 3,-1 180 3 -1 1.800558 0.571167 2.781210 Rho 0.1349819E+00 |GRAD(Rho)| 0.3227274E-15 GRAD(Rho)x -0.2926668E-15 GRAD(Rho)y 0.1256726E-15 GRAD(Rho)z 0.5201460E-16 Laplacian 0.5700027E+00 (-1/4)Del**2(Rho)) -0.1425007E+00 Diamond 0.1019850E+01 Metallicity 0.4294001E+01 Ellipticity 0.7876425E-02 Gb(Abramov) 0.1969835E+00 Vb(Abramov) -0.2514662E+00 Hb(Abramov) -0.5448278E-01 Ex_ueg -0.5113902E-01 Ec_ueg -0.7489186E-02 Delta_ex -0.5968234E-01 Delta_ec 0.1488607E-01 Delta_et -0.1951844E+00 Pxc 0.6828382E+01 Qxc -0.4009274E+01 3,-1 181 3 -1 -1.731027 1.737641 0.526790 Rho 0.6197592E-01 |GRAD(Rho)| 0.3095840E-11 GRAD(Rho)x 0.2049365E-11 GRAD(Rho)y -0.2034210E-11 GRAD(Rho)z 0.1116384E-11 Laplacian 0.2520809E+00 (-1/4)Del**2(Rho)) -0.6302022E-01 Diamond 0.1656949E+00 Metallicity 0.2653250E+01 Ellipticity 0.6623118E-02 Gb(Abramov) 0.6988155E-01 Vb(Abramov) -0.7674288E-01 Hb(Abramov) -0.6861331E-02 Ex_ueg -0.1811406E-01 Ec_ueg -0.3086834E-02 Delta_ex -0.2173621E-01 Delta_ec 0.7186026E-02 Delta_et -0.7991108E-01 Pxc 0.5868167E+01 Qxc -0.3024789E+01 3,-1 182 3 -1 -1.771189 2.742816 -0.550982 Rho 0.1538054E+00 |GRAD(Rho)| 0.2980861E-15 GRAD(Rho)x 0.2133981E-15 GRAD(Rho)y 0.4349006E-16 GRAD(Rho)z -0.2035319E-15 Laplacian 0.6436494E+00 (-1/4)Del**2(Rho)) -0.1609124E+00 Diamond 0.1330179E+01 Metallicity 0.4726975E+01 Ellipticity 0.1670851E-01 Gb(Abramov) 0.2340464E+00 Vb(Abramov) -0.3071803E+00 Hb(Abramov) -0.7313399E-01 Ex_ueg -0.6086216E-01 Ec_ueg -0.8687561E-02 Delta_ex -0.6941450E-01 Delta_ec 0.1598799E-01 Delta_et -0.2129863E+00 Pxc 0.7005667E+01 Qxc -0.4341665E+01 3,-1 183 3 -1 1.797957 2.773444 0.552357 Rho 0.1379454E+00 |GRAD(Rho)| 0.2825929E-12 GRAD(Rho)x 0.2087551E-12 GRAD(Rho)y -0.5993113E-13 GRAD(Rho)z -0.1807992E-12 Laplacian 0.5804877E+00 (-1/4)Del**2(Rho)) -0.1451219E+00 Diamond 0.1064040E+01 Metallicity 0.4371852E+01 Ellipticity 0.9114202E-02 Gb(Abramov) 0.2024899E+00 Vb(Abramov) -0.2598578E+00 Hb(Abramov) -0.5736796E-01 Ex_ueg -0.5264147E-01 Ec_ueg -0.7676369E-02 Delta_ex -0.6107862E-01 Delta_ec 0.1504032E-01 Delta_et -0.1977919E+00 Pxc 0.6857600E+01 Qxc -0.4060993E+01 3,-1 184 3 -1 -0.518791 0.528923 0.475277 Rho 0.1896462E+00 |GRAD(Rho)| 0.2656854E-15 GRAD(Rho)x -0.2204820E-15 GRAD(Rho)y -0.6975465E-16 GRAD(Rho)z -0.1308079E-15 Laplacian 0.7855667E+00 (-1/4)Del**2(Rho)) -0.1963917E+00 Diamond 0.2492786E+01 Metallicity 0.5491237E+01 Ellipticity 0.1885979E-01 Gb(Abramov) 0.3106666E+00 Vb(Abramov) -0.4249416E+00 Hb(Abramov) -0.1142750E+00 Ex_ueg -0.8047181E-01 Ec_ueg -0.1102814E-01 Delta_ex -0.9223819E-01 Delta_ec 0.2374366E-01 Delta_et -0.3408703E+00 Pxc 0.7296952E+01 Qxc -0.3884750E+01 3,-1 185 3 -1 1.997096 2.995308 -0.857093 Rho 0.1402588E+00 |GRAD(Rho)| 0.2989451E-15 GRAD(Rho)x 0.1471533E-15 GRAD(Rho)y -0.4473012E-16 GRAD(Rho)z 0.2563461E-15 Laplacian 0.5526889E+00 (-1/4)Del**2(Rho)) -0.1381722E+00 Diamond 0.1037801E+01 Metallicity 0.4720805E+01 Ellipticity 0.3307165E-01 Gb(Abramov) 0.2008288E+00 Vb(Abramov) -0.2634855E+00 Hb(Abramov) -0.6265662E-01 Ex_ueg -0.5382185E-01 Ec_ueg -0.7822885E-02 Delta_ex -0.5843599E-01 Delta_ec 0.1434535E-01 Delta_et -0.1893029E+00 Pxc 0.6880052E+01 Qxc -0.4073515E+01 3,-1 186 3 -1 0.097605 -3.219808 -3.178194 Rho 0.2564886E+00 |GRAD(Rho)| 0.1792222E-10 GRAD(Rho)x -0.3434273E-11 GRAD(Rho)y 0.1246092E-10 GRAD(Rho)z 0.1241520E-10 Laplacian 0.9278239E+00 (-1/4)Del**2(Rho)) -0.2319560E+00 Diamond 0.3540779E+01 Metallicity 0.7690022E+01 Ellipticity 0.1899585E-02 Gb(Abramov) 0.4519284E+00 Vb(Abramov) -0.6719009E+00 Hb(Abramov) -0.2199724E+00 Ex_ueg -0.1203582E+00 Ec_ueg -0.1558636E-01 Delta_ex -0.1140018E+00 Delta_ec 0.1996850E-01 Delta_et -0.2764722E+00 Pxc 0.7722022E+01 Qxc -0.5709081E+01 3,-1 187 3 -1 -4.245813 3.816249 -0.859955 Rho 0.3263368E+00 |GRAD(Rho)| 0.1116159E-14 GRAD(Rho)x -0.8679991E-15 GRAD(Rho)y -0.3672149E-15 GRAD(Rho)z 0.5979481E-15 Laplacian -0.1824739E+01 (-1/4)Del**2(Rho)) 0.4561848E+00 Diamond 0.6387302E+01 Metallicity -0.5841475E+01 Ellipticity 0.2304734E-02 Gb(Abramov) 0.1400088E+00 Vb(Abramov) -0.7362024E+00 Hb(Abramov) -0.5961936E+00 Ex_ueg -0.1659357E+00 Ec_ueg -0.2061212E-01 Delta_ex 0.1836172E+00 Delta_ec 0.6276986E-01 Delta_et -0.1505364E+01 Pxc 0.8050394E+01 Qxc 0.2925245E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 122 124 166 151 149 123 118 150 147 167 64 186 173 146 72 126 91 160 69 162 127 70 74 161 141 93 138 176 139 165 152 97 183 98 185 129 181 59 182 60 179 61 159 157 158 101 62 130 113 131 71 105 108 142 57 178 112 144 132 143 175 171 180 177 164 155 156 170 174 94 169 153 86 136 168 184 134 154 85 137 78 148 187 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 54 2.389538 1.945154 1.937318 1.946759 1.943765 1.718883 2.387570 1.937373 1.923079 1.977764 1.941101 1.718755 2.375548 1.939682 1.974326 1.927485 1.937746 1.718626 2.408896 1.914430 1.928388 1.945222 1.988007 1.717872 2.406007 1.938497 1.944438 1.944747 1.944100 1.718642 2.392924 1.935069 1.944475 1.943789 1.950162 1.718934 2.272820 1.876754 1.903816 1.924379 1.906738 1.851820 2.396985 1.935191 1.933700 1.952521 1.951635 1.718920 2.369281 2.015115 1.929428 1.936960 1.910024 1.718423 2.409953 1.935328 1.923496 1.966546 1.944374 1.718137 2.391236 1.935984 1.952373 1.940818 1.943326 1.718709 2.385526 1.931361 1.936877 1.948135 1.961646 1.718919 1.697110 1.698788 1.697377 1.715773 3.210612 3.251217 3.241024 3.231673 3.198051 3.246009 0.982089 2.389790 1.945490 1.937670 1.947439 1.944440 1.718886 2.387792 1.937761 1.923469 1.978450 1.941789 1.718757 2.375819 1.940030 1.974740 1.928089 1.938387 1.718631 2.409175 1.914769 1.928730 1.945912 1.988377 1.717878 2.406228 1.938848 1.944825 1.945393 1.944783 1.718645 2.393173 1.935414 1.944823 1.944425 1.950807 1.718939 2.272999 1.877343 1.904289 1.925135 1.907593 1.853587 2.397247 1.935582 1.934089 1.953178 1.952285 1.718922 2.369565 2.015524 1.929809 1.937614 1.910593 1.718429 2.410219 1.935670 1.923835 1.966997 1.945048 1.718140 2.391484 1.936334 1.952745 1.941448 1.943971 1.718716 2.385755 1.931701 1.937269 1.948787 1.962312 1.718923 1.697114 1.698798 1.697380 1.715838 3.224069 3.260926 3.250835 3.240916 3.206985 3.255507 0.982380 27 23 23 26 27 20 27 25 27 23 25 21 27 23 23 23 23 22 27 23 23 25 23 22 27 23 27 23 25 20 27 23 23 23 23 22 27 24 23 23 26 23 27 25 25 23 23 21 27 27 23 23 23 22 27 23 23 23 28 20 27 23 26 23 23 24 27 23 25 23 23 22 25 24 22 23 35 35 35 35 35 35 18 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V H 2.5592 2.5578 2.5612 2.5584 2.5550 2.5583 2.6947 2.5586 2.5599 2.5625 2.5589 2.5585 -1.1237 -1.1326 -1.1312 -1.1563 -0.9443 -0.9442 -0.9198 -0.9453 -0.9444 -0.9431 -0.9469 -0.9447 -0.9255 -0.9450 -0.9439 -0.9433 -0.9354 -0.9344 -0.9363 -0.9231 -0.9353 -0.9334 -0.9381 -0.9308 -0.9373 -0.9192 -0.9358 -0.9341 -0.7149 -0.7139 -0.7117 -0.7110 -0.7135 -0.7153 -0.6676 -0.7153 -0.7094 -0.7129 -0.7141 -0.7145 2.3965 0.3018 2.0722 2.0719 2.0697 2.0708 2.0724 2.0721 2.0524 2.0725 2.0713 2.0679 2.0721 2.0721 1.9616 1.9613 1.9616 1.9575 1.9346 1.9346 1.9413 1.9346 1.9348 1.9348 1.9345 1.9345 1.9382 1.9347 1.9347 1.9348 1.9498 1.9499 1.9499 1.9511 1.9498 1.9504 1.9495 1.9509 1.9498 1.9528 1.9498 1.9500 1.9782 1.9784 1.9784 1.9793 1.9786 1.9781 1.8781 1.9782 1.9787 1.9789 1.9783 1.9783 1.6754 0.6001 6.0660 6.0667 6.0647 6.0678 6.0679 6.0665 6.0629 6.0665 6.0642 6.0656 6.0659 6.0666 5.1268 5.1357 5.1338 5.1627 4.9794 4.9794 4.9477 4.9806 4.9796 4.9777 4.9824 4.9799 4.9568 4.9802 4.9791 4.9781 4.9520 4.9511 4.9532 4.9384 4.9522 4.9494 4.9553 4.9460 4.9544 4.9329 4.9525 4.9506 4.6972 4.6960 4.6936 4.6919 4.6954 4.6977 4.7574 4.6977 4.6910 4.6944 4.6963 4.6967 5.9673 0.0980 3.2738 3.2749 3.2758 3.2744 3.2760 3.2745 3.1592 3.2738 3.2761 3.2752 3.2745 3.2742 0.0352 0.0356 0.0358 0.0361 0.0303 0.0302 0.0308 0.0301 0.0300 0.0305 0.0301 0.0303 0.0305 0.0301 0.0301 0.0304 0.0336 0.0333 0.0332 0.0336 0.0333 0.0336 0.0333 0.0340 0.0331 0.0335 0.0334 0.0335 0.0395 0.0395 0.0396 0.0397 0.0395 0.0395 0.0321 0.0395 0.0397 0.0396 0.0395 0.0395 2.9608 0.0000 14.0287 14.0287 14.0286 14.0287 14.0286 14.0287 14.0308 14.0287 14.0285 14.0287 14.0287 14.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V H 2.527405 2.526352 2.527203 2.524691 2.526389 2.526285 2.578121 2.525986 2.525570 2.524985 2.527578 2.526746 -1.035894 -1.036400 -1.035388 -1.040861 -0.933781 -0.932569 -0.906986 -0.933444 -0.933755 -0.931580 -0.933897 -0.933581 -0.920062 -0.933577 -0.933834 -0.931180 -0.896693 -0.897222 -0.897851 -0.888371 -0.897191 -0.894820 -0.900181 -0.892163 -0.898646 -0.879269 -0.897280 -0.896575 -0.734915 -0.733825 -0.730495 -0.729560 -0.733201 -0.735545 -0.493946 -0.735533 -0.727735 -0.731926 -0.733865 -0.734626 2.057912 0.172995 1.950766 1.951493 1.953013 1.951888 1.950957 1.949781 1.837496 1.949117 1.953262 1.949691 1.951604 1.950601 -0.732999 -0.732657 -0.731199 -0.717596 -0.698895 -0.698715 -0.664348 -0.698892 -0.699039 -0.702326 -0.697083 -0.701677 -0.670719 -0.699824 -0.699776 -0.699733 -0.727183 -0.728341 -0.729461 -0.696910 -0.728195 -0.729168 -0.728696 -0.728590 -0.730047 -0.687846 -0.727642 -0.727939 -0.613519 -0.611178 -0.606347 -0.605020 -0.611230 -0.614031 -0.622818 -0.614143 -0.601957 -0.608767 -0.612026 -0.612927 1.496571 0.453219 2.046378 2.046140 2.046882 2.041902 2.045966 2.045147 2.065698 2.044929 2.044269 2.041764 2.046896 2.045989 -0.777990 -0.773192 -0.773227 -0.766293 -0.775266 -0.775161 -0.766810 -0.776491 -0.775560 -0.777282 -0.774839 -0.777555 -0.772092 -0.776065 -0.776600 -0.774802 -0.759871 -0.762675 -0.762553 -0.742554 -0.760605 -0.759504 -0.766757 -0.756510 -0.763841 -0.731851 -0.760578 -0.759803 -0.581985 -0.579959 -0.575608 -0.574312 -0.579490 -0.582706 -0.622811 -0.582552 -0.571523 -0.577396 -0.580470 -0.581577 1.451021 0.453736 -8.21493342 6.88082183 -2.21368538 10.94217725 15.29313615 -34.07263045 11.33593971 4.08073471 -8.51758995 -19.37387086 -421.7352 414.5147 -66.6026 -387.3476 -5.1123 -466.2829 Mar28-2024 00:24:06 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 0 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Mar28-2024 00:24:07 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Mar28-2024 00:24:08 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar28-2024 00:24:09 Nodes: 1 Procs: 1 Mar28-2024 00:24:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar28-2024 00:24:12 Nodes: 1 Procs: 28 *** (NO TITLE) *** -2 -17.11765104 -17.13091167 -17.13376431 -17.13455850 -17.13499221 -17.13520366 -17.13530710 -17.13547305 -17.13551920 -17.13554890 -17.13558208 GEOMETRY CONVERGED