ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 13:40:15 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.78 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 13:40:15 Nodes: 1 Procs: 1 Jun19-2024 13:40:18 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 13:40:22 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.05 2.31 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 13:40:15 Nodes: 1 Procs: 1 Jun19-2024 13:40:18 Nodes: 1 Procs: 1 0 Jun19-2024 13:40:22 Nodes: 1 Procs: 1 Jun19-2024 13:40:24 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 13:40:27 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 0.97 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 13:40:15 Nodes: 1 Procs: 1 Jun19-2024 13:40:18 Nodes: 1 Procs: 1 0 Jun19-2024 13:40:22 Nodes: 1 Procs: 1 Jun19-2024 13:40:24 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 13:40:27 Nodes: 1 Procs: 1 Jun19-2024 13:40:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 13:40:30 Arsenic (TZP, 3p frozen) c10-53 c10-53 c10-53 c10-53 c10-53 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.06 2.33 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 13:40:15 Nodes: 1 Procs: 1 Jun19-2024 13:40:18 Nodes: 1 Procs: 1 0 Jun19-2024 13:40:22 Nodes: 1 Procs: 1 Jun19-2024 13:40:24 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 13:40:27 Nodes: 1 Procs: 1 Jun19-2024 13:40:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 13:40:30 Nodes: 1 Procs: 1 Jun19-2024 13:40:32 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 13:40:36 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2264.7848999999997 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231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 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 -4.067 -4.055 -4.016 -3.919 -3.741 -3.699 -3.661 -3.653 -3.580 -3.529 -0.388 -0.336 -0.198 -0.134 -0.082 -0.001 0.031 0.056 0.181 0.262 A A A A A A A A A A A A A A A A A A A A 0.00000000052728 0.00039002563397 0.00027581886795 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 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 73 73 73 33 0.089304 -3.628775 -0.019018 -2.205589 -0.004833 2.917018 3.087438 -1.890488 -0.041285 1.107129 1.922255 2.903676 -3.200832 -1.725561 -0.031791 1.093283 -1.903239 2.930951 4.733404 -2.577957 0.147618 1.407877 2.448459 4.585701 -4.659199 2.886652 0.197868 0.812150 -1.411005 0.350857 -0.002614 0.018599 -1.999774 0.820857 1.402349 0.355434 -1.619779 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0.4361415E+07 3,-3 3 3 -3 3.087438 -1.890488 -0.041285 Rho 0.4361415E+07 3,-3 4 3 -3 1.107129 1.922255 2.903676 Rho 0.4361415E+07 3,-3 5 3 -3 -3.200832 -1.725561 -0.031791 Rho 0.4361415E+07 3,-3 6 3 -3 1.093283 -1.903239 2.930951 Rho 0.4361415E+07 3,-3 7 3 -3 4.733404 -2.577957 0.147618 Rho 0.3190901E+03 3,-3 8 3 -3 1.407877 2.448459 4.585701 Rho 0.3190940E+03 3,-3 9 3 -3 -4.659199 2.886652 0.197868 Rho 0.3189669E+03 3,-3 10 3 -3 0.812150 -1.411005 0.350857 Rho 0.3190216E+03 3,-3 11 3 -3 -0.002614 0.018599 -1.999774 Rho 0.3191603E+03 3,-3 12 3 -3 0.820857 1.402349 0.355434 Rho 0.3190346E+03 3,-3 13 3 -3 -1.619779 -0.016475 0.355866 Rho 0.3190215E+03 3,-3 14 3 -3 -2.903947 -1.806535 -1.784207 Rho 0.3191695E+03 3,-3 15 3 -3 3.363508 -0.073760 0.303033 Rho 0.3188402E+03 3,-3 16 3 -3 -3.173950 1.750954 -1.940657 Rho 0.3190176E+03 3,-3 17 3 -3 1.493871 -0.033820 3.095634 Rho 0.3188623E+03 3,-3 18 3 -3 3.165646 1.706914 -1.909233 Rho 0.3190240E+03 3,-3 19 3 -3 -0.746123 -1.338605 3.119407 Rho 0.3188622E+03 3,-3 20 3 -3 -0.007927 3.705866 -1.966678 Rho 0.3190081E+03 3,-3 21 3 -3 -1.647080 -2.893520 0.369013 Rho 0.3188180E+03 3,-3 22 3 -3 -1.694808 2.948080 0.218602 Rho 0.3187637E+03 3,-3 23 3 -3 -0.056525 -3.432371 -1.782025 Rho 0.3191705E+03 3,-3 24 3 -3 -0.749801 1.251066 3.090962 Rho 0.3188492E+03 3,-3 25 3 -3 2.954339 -1.768930 -1.812965 Rho 0.3191619E+03 3,-3 26 3 -3 2.754072 -2.129022 2.061456 Rho 0.3189398E+03 3,-3 27 3 -3 4.862486 2.531926 0.214886 Rho 0.3189698E+03 3,-3 28 3 -3 2.781363 2.067111 2.142452 Rho 0.3189932E+03 3,-3 29 3 -3 -4.179850 -0.102336 -0.056383 Rho 0.3188825E+03 3,-3 30 3 -3 0.429620 -3.456418 2.079921 Rho 0.3189381E+03 3,-3 31 3 -3 2.129021 3.658173 -0.081451 Rho 0.3187967E+03 3,-3 32 3 -3 -3.169710 -1.394612 2.087722 Rho 0.3189405E+03 3,-3 33 3 -3 -4.520242 -2.921131 0.168256 Rho 0.3190964E+03 3,-3 34 3 -3 -3.222528 1.306782 2.108777 Rho 0.3189956E+03 3,-3 35 3 -3 2.040351 -3.615391 -0.048072 Rho 0.3188781E+03 3,-3 36 3 -3 0.428164 3.443015 2.129446 Rho 0.3190130E+03 3,-3 37 3 -3 -0.214038 -5.383600 0.170318 Rho 0.3191001E+03 3,-3 38 3 -3 1.451551 -2.503987 4.571845 Rho 0.3191069E+03 3,-3 39 3 -3 -0.192853 5.519626 0.213457 Rho 0.3189627E+03 3,-3 40 3 -3 -2.867151 -0.031359 4.574948 Rho 0.3191026E+03 3,-3 41 3 -3 0.106871 3.730201 -0.141478 Rho 0.3882647E+07 3,-3 42 3 -3 -3.216494 1.772937 -0.113445 Rho 0.3882647E+07 3,-3 43 3 -3 3.134506 1.956452 -0.100219 Rho 0.3882647E+07 3,-3 44 3 -3 0.003727 0.016310 -0.348048 Rho 0.4276108E+05 3,-3 45 3 +1 1.778024 0.003063 0.160008 Rho 0.8605508E-02 |GRAD(Rho)| 0.2066666E-12 GRAD(Rho)x -0.4799989E-13 GRAD(Rho)y 0.1996549E-12 GRAD(Rho)z 0.2334534E-13 Laplacian 0.3400300E-01 (-1/4)Del**2(Rho)) -0.8500749E-02 Diamond 0.9104534E-03 Metallicity 0.7323581E+00 Ellipticity -0.1429820E+01 Gb(Abramov) 0.6704765E-02 Vb(Abramov) -0.4908781E-02 Hb(Abramov) 0.1795984E-02 Ex_ueg -0.1302428E-02 Ec_ueg -0.3052266E-03 Delta_ex -0.1553504E-02 Delta_ec 0.4782324E-03 Delta_et -0.3269435E-02 Pxc 0.4267086E+01 Qxc -0.3248429E+01 3,+1 46 3 +1 -0.867182 -1.524670 0.200176 Rho 0.8834168E-02 |GRAD(Rho)| 0.3156803E-17 GRAD(Rho)x -0.2741932E-17 GRAD(Rho)y 0.1552737E-17 GRAD(Rho)z -0.1903243E-18 Laplacian 0.3602410E-01 (-1/4)Del**2(Rho)) -0.9006024E-02 Diamond 0.9814448E-03 Metallicity 0.7221534E+00 Ellipticity -0.1387878E+01 Gb(Abramov) 0.7087971E-02 Vb(Abramov) -0.5169918E-02 Hb(Abramov) 0.1918053E-02 Ex_ueg -0.1348774E-02 Ec_ueg -0.3154696E-03 Delta_ex -0.1648895E-02 Delta_ec 0.4925085E-03 Delta_et -0.3401195E-02 Pxc 0.4275450E+01 Qxc -0.3347952E+01 3,+1 47 3 +1 -2.507125 0.808599 0.991517 Rho 0.1991966E-01 |GRAD(Rho)| 0.1507894E-14 GRAD(Rho)x 0.2449426E-15 GRAD(Rho)y -0.1182591E-14 GRAD(Rho)z 0.9028995E-15 Laplacian 0.7176505E-01 (-1/4)Del**2(Rho)) -0.1794126E-01 Diamond 0.6270607E-02 Metallicity 0.1405518E+01 Ellipticity -0.2526721E+01 Gb(Abramov) 0.1616364E-01 Vb(Abramov) -0.1438601E-01 Hb(Abramov) 0.1777625E-02 Ex_ueg -0.3988052E-02 Ec_ueg -0.8364961E-03 Delta_ex -0.4114802E-02 Delta_ec 0.1061072E-02 Delta_et -0.8910479E-02 Pxc 0.4767568E+01 Qxc -0.3877967E+01 3,+1 48 3 -1 -2.372320 0.864711 0.102468 Rho 0.4130867E-01 |GRAD(Rho)| 0.2086736E-12 GRAD(Rho)x 0.5525466E-13 GRAD(Rho)y 0.2010480E-12 GRAD(Rho)z 0.8442478E-14 Laplacian 0.1669367E+00 (-1/4)Del**2(Rho)) -0.4173418E-01 Diamond 0.7030573E-01 Metallicity 0.2037652E+01 Ellipticity 0.1571846E-01 Gb(Abramov) 0.4199608E-01 Vb(Abramov) -0.4225797E-01 Hb(Abramov) -0.2618928E-03 Ex_ueg -0.1054646E-01 Ec_ueg -0.1940405E-02 Delta_ex -0.1337997E-01 Delta_ec 0.5480092E-02 Delta_et -0.5500471E-01 Pxc 0.5435184E+01 Qxc -0.2441559E+01 3,-1 49 3 -1 -3.988913 2.368303 0.054521 Rho 0.1824357E+00 |GRAD(Rho)| 0.1847674E-14 GRAD(Rho)x 0.1508017E-14 GRAD(Rho)y 0.1008037E-14 GRAD(Rho)z 0.3516339E-15 Laplacian 0.6897919E+00 (-1/4)Del**2(Rho)) -0.1724480E+00 Diamond 0.1777092E+01 Metallicity 0.5862437E+01 Ellipticity 0.1925379E-01 Gb(Abramov) 0.2834595E+00 Vb(Abramov) -0.3944711E+00 Hb(Abramov) -0.1110116E+00 Ex_ueg -0.7641844E-01 Ec_ueg -0.1055129E-01 Delta_ex -0.7784412E-01 Delta_ec 0.1676532E-01 Delta_et -0.2289054E+00 Pxc 0.7242571E+01 Qxc -0.4643162E+01 3,-1 50 3 -1 -3.712007 0.783376 -0.081115 Rho 0.9214163E-01 |GRAD(Rho)| 0.6373012E-13 GRAD(Rho)x -0.1528757E-13 GRAD(Rho)y -0.3269535E-13 GRAD(Rho)z 0.5252459E-13 Laplacian 0.3825764E+00 (-1/4)Del**2(Rho)) -0.9564410E-01 Diamond 0.4465477E+00 Metallicity 0.3385750E+01 Ellipticity 0.1485833E-01 Gb(Abramov) 0.1177339E+00 Vb(Abramov) -0.1398237E+00 Hb(Abramov) -0.2208980E-01 Ex_ueg -0.3073687E-01 Ec_ueg -0.4851532E-02 Delta_ex -0.3687874E-01 Delta_ec 0.1138778E-01 Delta_et -0.1396825E+00 Pxc 0.6335498E+01 Qxc -0.3238448E+01 3,-1 51 3 +3 -3.077790 0.003619 1.118472 Rho 0.1102271E-01 |GRAD(Rho)| 0.8030011E-17 GRAD(Rho)x 0.1794993E-17 GRAD(Rho)y -0.2663939E-17 GRAD(Rho)z 0.7359518E-17 Laplacian 0.4861307E-01 (-1/4)Del**2(Rho)) -0.1215327E-01 Diamond 0.9587646E-03 Metallicity 0.7738812E+00 Ellipticity -0.4921915E+00 Gb(Abramov) 0.9669710E-02 Vb(Abramov) -0.7186152E-02 Hb(Abramov) 0.2483559E-02 Ex_ueg -0.1811770E-02 Ec_ueg -0.4146441E-03 Delta_ex -0.2085929E-02 Delta_ec 0.1831365E-03 Delta_et -0.1703860E-02 Pxc 0.4369458E+01 Qxc -0.1139003E+02 3,+3 52 3 -1 -3.209743 1.523706 1.048090 Rho 0.6205458E-01 |GRAD(Rho)| 0.2551824E-14 GRAD(Rho)x -0.2616400E-15 GRAD(Rho)y 0.8131881E-15 GRAD(Rho)z -0.2404594E-14 Laplacian 0.2617129E+00 (-1/4)Del**2(Rho)) -0.6542822E-01 Diamond 0.1877070E+00 Metallicity 0.2561009E+01 Ellipticity 0.1263698E-01 Gb(Abramov) 0.7154586E-01 Vb(Abramov) -0.7766350E-01 Hb(Abramov) -0.6117641E-02 Ex_ueg -0.1814472E-01 Ec_ueg -0.3091309E-02 Delta_ex -0.2307126E-01 Delta_ec 0.8348109E-02 Delta_et -0.9331919E-01 Pxc 0.5869590E+01 Qxc -0.2763651E+01 3,-1 53 3 -1 -3.709705 -0.852026 -0.041090 Rho 0.1622264E+00 |GRAD(Rho)| 0.1916668E-12 GRAD(Rho)x 0.8054946E-13 GRAD(Rho)y -0.1738334E-12 GRAD(Rho)z -0.5467045E-14 Laplacian 0.6191765E+00 (-1/4)Del**2(Rho)) -0.1547941E+00 Diamond 0.1384547E+01 Metallicity 0.5370335E+01 Ellipticity 0.4117063E-01 Gb(Abramov) 0.2417455E+00 Vb(Abramov) -0.3286968E+00 Hb(Abramov) -0.8695135E-01 Ex_ueg -0.6534523E-01 Ec_ueg -0.9230721E-02 Delta_ex -0.6784721E-01 Delta_ec 0.1549915E-01 Delta_et -0.2087198E+00 Pxc 0.7079103E+01 Qxc -0.4377479E+01 3,-1 54 3 +1 -2.865285 0.307223 0.080087 Rho 0.2516132E-01 |GRAD(Rho)| 0.1225163E-16 GRAD(Rho)x 0.7846281E-17 GRAD(Rho)y 0.8096563E-17 GRAD(Rho)z 0.4794170E-17 Laplacian 0.9394562E-01 (-1/4)Del**2(Rho)) -0.2348640E-01 Diamond 0.9937776E-02 Metallicity 0.1584743E+01 Ellipticity -0.2089274E+01 Gb(Abramov) 0.2186092E-01 Vb(Abramov) -0.2023544E-01 Hb(Abramov) 0.1625482E-02 Ex_ueg -0.5445397E-02 Ec_ueg -0.1096840E-02 Delta_ex -0.5588225E-02 Delta_ec 0.1121531E-02 Delta_et -0.1002301E-01 Pxc 0.4964624E+01 Qxc -0.4982676E+01 3,+1 55 3 +1 -3.394180 -0.019655 1.269536 Rho 0.1147197E-01 |GRAD(Rho)| 0.3500082E-14 GRAD(Rho)x -0.1930029E-14 GRAD(Rho)y 0.2820899E-14 GRAD(Rho)z -0.7537186E-15 Laplacian 0.5163823E-01 (-1/4)Del**2(Rho)) -0.1290956E-01 Diamond 0.1705392E-02 Metallicity 0.7787031E+00 Ellipticity -0.1222801E+01 Gb(Abramov) 0.1028182E-01 Vb(Abramov) -0.7654090E-02 Hb(Abramov) 0.2627734E-02 Ex_ueg -0.1910891E-02 Ec_ueg -0.4352486E-03 Delta_ex -0.2434715E-02 Delta_ec 0.5387975E-03 Delta_et -0.4099154E-02 Pxc 0.4390343E+01 Qxc -0.4518794E+01 3,+1 56 3 -1 -2.362242 -0.858008 0.152570 Rho 0.5201632E-01 |GRAD(Rho)| 0.1783796E-15 GRAD(Rho)x 0.1275695E-15 GRAD(Rho)y 0.1209919E-15 GRAD(Rho)z 0.3010419E-16 Laplacian 0.1956705E+00 (-1/4)Del**2(Rho)) -0.4891762E-01 Diamond 0.1037344E+00 Metallicity 0.2552626E+01 Ellipticity 0.2218626E-01 Gb(Abramov) 0.5342315E-01 Vb(Abramov) -0.5792868E-01 Hb(Abramov) -0.4505526E-02 Ex_ueg -0.1434073E-01 Ec_ueg -0.2526628E-02 Delta_ex -0.1622933E-01 Delta_ec 0.5760344E-02 Delta_et -0.6134819E-01 Pxc 0.5675837E+01 Qxc -0.2817423E+01 3,-1 57 3 +1 -0.471053 0.814753 1.462626 Rho 0.5717007E-02 |GRAD(Rho)| 0.5691348E-11 GRAD(Rho)x 0.4200237E-11 GRAD(Rho)y 0.1945261E-11 GRAD(Rho)z -0.3311406E-11 Laplacian 0.2175466E-01 (-1/4)Del**2(Rho)) -0.5438665E-02 Diamond 0.3593648E-03 Metallicity 0.5789957E+00 Ellipticity -0.1392398E+01 Gb(Abramov) 0.4150604E-02 Vb(Abramov) -0.2862543E-02 Hb(Abramov) 0.1288061E-02 Ex_ueg -0.7549937E-03 Ec_ueg -0.1778978E-03 Delta_ex -0.9175246E-03 Delta_ec 0.3409619E-03 Delta_et -0.2064371E-02 Pxc 0.4243974E+01 Qxc -0.2690989E+01 3,+1 58 3 -1 -2.742329 0.696122 2.472169 Rho 0.1842169E+00 |GRAD(Rho)| 0.2907679E-15 GRAD(Rho)x -0.1490507E-15 GRAD(Rho)y 0.2176536E-15 GRAD(Rho)z -0.1222980E-15 Laplacian 0.7104201E+00 (-1/4)Del**2(Rho)) -0.1776050E+00 Diamond 0.1835693E+01 Metallicity 0.5785137E+01 Ellipticity 0.3104516E-01 Gb(Abramov) 0.2896482E+00 Vb(Abramov) -0.4016915E+00 Hb(Abramov) -0.1120432E+00 Ex_ueg -0.7741486E-01 Ec_ueg -0.1066881E-01 Delta_ex -0.8024713E-01 Delta_ec 0.1700573E-01 Delta_et -0.2317589E+00 Pxc 0.7256187E+01 Qxc -0.4718828E+01 3,-1 59 3 +3 -0.935432 1.630233 1.296198 Rho 0.3440918E-02 |GRAD(Rho)| 0.2301226E-12 GRAD(Rho)x 0.1521501E-12 GRAD(Rho)y 0.6381886E-14 GRAD(Rho)z 0.1725284E-12 Laplacian 0.1379072E-01 (-1/4)Del**2(Rho)) -0.3447681E-02 Diamond 0.8972092E-04 Metallicity 0.3918773E+00 Ellipticity -0.1727091E+00 Gb(Abramov) 0.2523632E-02 Vb(Abramov) -0.1599583E-02 Hb(Abramov) 0.9240489E-03 Ex_ueg -0.3836639E-03 Ec_ueg -0.8044879E-04 Delta_ex -0.4788243E-03 Delta_ec 0.1477785E-03 Delta_et -0.8357565E-03 Pxc 0.4769045E+01 Qxc -0.3240149E+01 3,+3 60 3 -1 -3.195207 1.759554 -1.093247 Rho 0.1918750E+00 |GRAD(Rho)| 0.8075649E-16 GRAD(Rho)x -0.2614791E-16 GRAD(Rho)y -0.8830318E-17 GRAD(Rho)z -0.7589415E-16 Laplacian 0.7478070E+00 (-1/4)Del**2(Rho)) -0.1869518E+00 Diamond 0.2030953E+01 Metallicity 0.5881943E+01 Ellipticity 0.2452800E-02 Gb(Abramov) 0.3079078E+00 Vb(Abramov) -0.4288638E+00 Hb(Abramov) -0.1209560E+00 Ex_ueg -0.8173527E-01 Ec_ueg -0.1117614E-01 Delta_ex -0.8535897E-01 Delta_ec 0.1772896E-01 Delta_et -0.2426203E+00 Pxc 0.7313374E+01 Qxc -0.4814664E+01 3,-1 61 3 +1 -1.186496 2.096863 1.651962 Rho 0.4006196E-02 |GRAD(Rho)| 0.1687186E-13 GRAD(Rho)x 0.1246737E-13 GRAD(Rho)y 0.1046222E-13 GRAD(Rho)z 0.4445926E-14 Laplacian 0.1553866E-01 (-1/4)Del**2(Rho)) -0.3884664E-02 Diamond 0.2860781E-03 Metallicity 0.4481465E+00 Ellipticity -0.4416121E+01 Gb(Abramov) 0.2879926E-02 Vb(Abramov) -0.1875188E-02 Hb(Abramov) 0.1004738E-02 Ex_ueg -0.4699244E-03 Ec_ueg -0.1043993E-03 Delta_ex -0.7619936E-03 Delta_ec 0.5271945E-03 Delta_et -0.2662762E-02 Pxc 0.4501222E+01 Qxc -0.1445375E+01 3,+1 62 3 +1 -1.321233 -2.044323 1.740757 Rho 0.5291253E-02 |GRAD(Rho)| 0.1654462E-17 GRAD(Rho)x -0.2796444E-18 GRAD(Rho)y 0.2505258E-19 GRAD(Rho)z -0.1630465E-17 Laplacian 0.2136473E-01 (-1/4)Del**2(Rho)) -0.5341182E-02 Diamond 0.5547734E-03 Metallicity 0.5182189E+00 Ellipticity -0.4491910E+01 Gb(Abramov) 0.4022105E-02 Vb(Abramov) -0.2703028E-02 Hb(Abramov) 0.1319077E-02 Ex_ueg -0.6809727E-03 Ec_ueg -0.1594680E-03 Delta_ex -0.1088707E-02 Delta_ec 0.6991070E-03 Delta_et -0.3851225E-02 Pxc 0.4270277E+01 Qxc -0.1557282E+01 3,+1 63 3 -1 -2.369057 -2.334918 0.175145 Rho 0.1250802E+00 |GRAD(Rho)| 0.1179572E-14 GRAD(Rho)x 0.4387631E-15 GRAD(Rho)y 0.1089671E-14 GRAD(Rho)z 0.1072174E-15 Laplacian 0.5196010E+00 (-1/4)Del**2(Rho)) -0.1299002E+00 Diamond 0.8524169E+00 Metallicity 0.4148818E+01 Ellipticity 0.2897871E-02 Gb(Abramov) 0.1764222E+00 Vb(Abramov) -0.2229442E+00 Hb(Abramov) -0.4652199E-01 Ex_ueg -0.4619943E-01 Ec_ueg -0.6867939E-02 Delta_ex -0.5346728E-01 Delta_ec 0.1391090E-01 Delta_et -0.1803085E+00 Pxc 0.6726826E+01 Qxc -0.3843554E+01 3,-1 64 3 -1 -2.402777 2.391582 0.058623 Rho 0.1353074E+00 |GRAD(Rho)| 0.1106225E-13 GRAD(Rho)x -0.1092683E-13 GRAD(Rho)y 0.2426716E-15 GRAD(Rho)z -0.1708438E-14 Laplacian 0.5699517E+00 (-1/4)Del**2(Rho)) -0.1424879E+00 Diamond 0.1042190E+01 Metallicity 0.4311658E+01 Ellipticity 0.5233312E-02 Gb(Abramov) 0.1973852E+00 Vb(Abramov) -0.2522824E+00 Hb(Abramov) -0.5489724E-01 Ex_ueg -0.5130352E-01 Ec_ueg -0.7509718E-02 Delta_ex -0.5993443E-01 Delta_ec 0.1527353E-01 Delta_et -0.2011250E+00 Pxc 0.6831617E+01 Qxc -0.3924072E+01 3,-1 65 3 +1 -0.895011 1.547797 0.107297 Rho 0.8284359E-02 |GRAD(Rho)| 0.1497589E-15 GRAD(Rho)x 0.1497335E-15 GRAD(Rho)y -0.1898697E-17 GRAD(Rho)z 0.2000095E-17 Laplacian 0.3144687E-01 (-1/4)Del**2(Rho)) -0.7861719E-02 Diamond 0.8033894E-03 Metallicity 0.7432482E+00 Ellipticity -0.1464414E+01 Gb(Abramov) 0.6215014E-02 Vb(Abramov) -0.4568309E-02 Hb(Abramov) 0.1646705E-02 Ex_ueg -0.1238028E-02 Ec_ueg -0.2908797E-03 Delta_ex -0.1424825E-02 Delta_ec 0.4455804E-03 Delta_et -0.3013822E-02 Pxc 0.4256150E+01 Qxc -0.3197682E+01 3,+1 66 3 +1 1.626906 -1.739173 1.335770 Rho 0.2241301E-01 |GRAD(Rho)| 0.5182897E-14 GRAD(Rho)x -0.5800098E-15 GRAD(Rho)y -0.4690922E-14 GRAD(Rho)z -0.2126326E-14 Laplacian 0.8388907E-01 (-1/4)Del**2(Rho)) -0.2097227E-01 Diamond 0.9942366E-02 Metallicity 0.1463552E+01 Ellipticity -0.5289673E+01 Gb(Abramov) 0.1909718E-01 Vb(Abramov) -0.1722209E-01 Hb(Abramov) 0.1875089E-02 Ex_ueg -0.4667152E-02 Ec_ueg -0.9593665E-03 Delta_ex -0.5130995E-02 Delta_ec 0.1536081E-02 Delta_et -0.1316456E-01 Pxc 0.4864827E+01 Qxc -0.3340316E+01 3,+1 67 3 +3 -0.873568 -1.530817 1.310437 Rho 0.3929392E-02 |GRAD(Rho)| 0.3850141E-17 GRAD(Rho)x 0.1687055E-17 GRAD(Rho)y 0.2144098E-17 GRAD(Rho)z 0.2716667E-17 Laplacian 0.1607011E-01 (-1/4)Del**2(Rho)) -0.4017527E-02 Diamond 0.1053647E-03 Metallicity 0.4195690E+00 Ellipticity -0.1864679E+00 Gb(Abramov) 0.2959289E-02 Vb(Abramov) -0.1901052E-02 Hb(Abramov) 0.1058237E-02 Ex_ueg -0.4579509E-03 Ec_ueg -0.1011352E-03 Delta_ex -0.5511043E-03 Delta_ec 0.1270896E-03 Delta_et -0.7981162E-03 Pxc 0.4528107E+01 Qxc -0.4336345E+01 3,+3 68 3 +1 -2.322809 -0.611888 1.303686 Rho 0.2216085E-01 |GRAD(Rho)| 0.2229416E-16 GRAD(Rho)x -0.1604147E-16 GRAD(Rho)y -0.8057162E-17 GRAD(Rho)z -0.1322055E-16 Laplacian 0.8355532E-01 (-1/4)Del**2(Rho)) -0.2088883E-01 Diamond 0.9817874E-02 Metallicity 0.1441948E+01 Ellipticity -0.5182226E+01 Gb(Abramov) 0.1894599E-01 Vb(Abramov) -0.1700315E-01 Hb(Abramov) 0.1942841E-02 Ex_ueg -0.4597272E-02 Ec_ueg -0.9468579E-03 Delta_ex -0.5104104E-02 Delta_ec 0.1545391E-02 Delta_et -0.1320177E-01 Pxc 0.4855293E+01 Qxc -0.3302790E+01 3,+1 69 3 +1 -0.484531 -0.860018 1.477138 Rho 0.5475698E-02 |GRAD(Rho)| 0.7779091E-17 GRAD(Rho)x 0.5253514E-17 GRAD(Rho)y 0.1000072E-17 GRAD(Rho)z -0.5649311E-17 Laplacian 0.2070850E-01 (-1/4)Del**2(Rho)) -0.5177125E-02 Diamond 0.3165776E-03 Metallicity 0.5660616E+00 Ellipticity -0.1363417E+01 Gb(Abramov) 0.3939845E-02 Vb(Abramov) -0.2702566E-02 Hb(Abramov) 0.1237280E-02 Ex_ueg -0.7128056E-03 Ec_ueg -0.1674411E-03 Delta_ex -0.8594712E-03 Delta_ec 0.3155931E-03 Delta_et -0.1895852E-02 Pxc 0.4257052E+01 Qxc -0.2723353E+01 3,+1 70 3 -1 -1.421954 -0.702486 3.014560 Rho 0.1250743E+00 |GRAD(Rho)| 0.3753481E-14 GRAD(Rho)x 0.3529308E-14 GRAD(Rho)y -0.2553703E-15 GRAD(Rho)z 0.1251952E-14 Laplacian 0.5218828E+00 (-1/4)Del**2(Rho)) -0.1304707E+00 Diamond 0.8506311E+00 Metallicity 0.4130353E+01 Ellipticity 0.1251496E-01 Gb(Abramov) 0.1767955E+00 Vb(Abramov) -0.2231202E+00 Hb(Abramov) -0.4632477E-01 Ex_ueg -0.4619653E-01 Ec_ueg -0.6867571E-02 Delta_ex -0.5363192E-01 Delta_ec 0.1384795E-01 Delta_et -0.1792751E+00 Pxc 0.6726764E+01 Qxc -0.3872915E+01 3,-1 71 3 -1 -0.776660 -0.001889 -0.009446 Rho 0.1590796E+00 |GRAD(Rho)| 0.2601717E-15 GRAD(Rho)x 0.2463307E-15 GRAD(Rho)y 0.8782038E-17 GRAD(Rho)z 0.8326673E-16 Laplacian 0.3637936E+00 (-1/4)Del**2(Rho)) -0.9094840E-01 Diamond 0.8120670E+00 Metallicity 0.8846722E+01 Ellipticity 0.4100088E-02 Gb(Abramov) 0.1947315E+00 Vb(Abramov) -0.2985145E+00 Hb(Abramov) -0.1037831E+00 Ex_ueg -0.6366066E-01 Ec_ueg -0.9027251E-02 Delta_ex -0.3983143E-01 Delta_ec 0.9439404E-02 Delta_et -0.1275141E+00 Pxc 0.7052053E+01 Qxc -0.4219698E+01 3,-1 72 3 -1 -1.899103 -0.011505 1.604997 Rho 0.2821169E-01 |GRAD(Rho)| 0.7270606E-14 GRAD(Rho)x 0.4256633E-14 GRAD(Rho)y -0.4791291E-14 GRAD(Rho)z 0.3433122E-14 Laplacian 0.1013848E+00 (-1/4)Del**2(Rho)) -0.2534621E-01 Diamond 0.2173363E-01 Metallicity 0.1777005E+01 Ellipticity 0.6044029E-01 Gb(Abramov) 0.2440419E-01 Vb(Abramov) -0.2346218E-01 Hb(Abramov) 0.9420121E-03 Ex_ueg -0.6342939E-02 Ec_ueg -0.1251738E-02 Delta_ex -0.7074579E-02 Delta_ec 0.2722584E-02 Delta_et -0.2460541E-01 Pxc 0.5067304E+01 Qxc -0.2598479E+01 3,-1 73 3 +3 -0.002760 -0.032895 1.746761 Rho 0.3408132E-02 |GRAD(Rho)| 0.4475732E-15 GRAD(Rho)x -0.1425362E-15 GRAD(Rho)y 0.1224359E-16 GRAD(Rho)z 0.4240935E-15 Laplacian 0.1308006E-01 (-1/4)Del**2(Rho)) -0.3270016E-02 Diamond 0.6463462E-04 Metallicity 0.4066280E+00 Ellipticity -0.1377586E+00 Gb(Abramov) 0.2401624E-02 Vb(Abramov) -0.1533232E-02 Hb(Abramov) 0.8683919E-03 Ex_ueg -0.3787973E-03 Ec_ueg -0.7906489E-04 Delta_ex -0.4231129E-03 Delta_ec 0.8663220E-04 Delta_et -0.5539428E-03 Pxc 0.4790968E+01 Qxc -0.4884014E+01 3,+3 74 3 +1 0.671035 -2.294058 1.330797 Rho 0.2200103E-01 |GRAD(Rho)| 0.4645429E-16 GRAD(Rho)x 0.7219199E-17 GRAD(Rho)y 0.3158801E-16 GRAD(Rho)z -0.3328786E-16 Laplacian 0.8174067E-01 (-1/4)Del**2(Rho)) -0.2043517E-01 Diamond 0.9332956E-02 Metallicity 0.1456285E+01 Ellipticity -0.4761419E+01 Gb(Abramov) 0.1858335E-01 Vb(Abramov) -0.1673154E-01 Hb(Abramov) 0.1851816E-02 Ex_ueg -0.4553119E-02 Ec_ueg -0.9389392E-03 Delta_ex -0.4961064E-02 Delta_ec 0.1471193E-02 Delta_et -0.1255645E-01 Pxc 0.4849216E+01 Qxc -0.3372138E+01 3,+1 75 3 +1 0.528292 2.617581 0.955982 Rho 0.1870676E-01 |GRAD(Rho)| 0.7755507E-13 GRAD(Rho)x 0.4457244E-13 GRAD(Rho)y -0.5610416E-13 GRAD(Rho)z -0.2967169E-13 Laplacian 0.6672012E-01 (-1/4)Del**2(Rho)) -0.1668003E-01 Diamond 0.4998185E-02 Metallicity 0.1361509E+01 Ellipticity -0.2129077E+01 Gb(Abramov) 0.1490502E-01 Vb(Abramov) -0.1313002E-01 Hb(Abramov) 0.1775007E-02 Ex_ueg -0.3667610E-02 Ec_ueg -0.7774031E-03 Delta_ex -0.3705963E-02 Delta_ec 0.8870067E-03 Delta_et -0.7382832E-02 Pxc 0.4717771E+01 Qxc -0.4178055E+01 3,+1 76 3 -1 0.117690 -1.589475 3.020762 Rho 0.1435863E+00 |GRAD(Rho)| 0.2880770E-15 GRAD(Rho)x 0.2591243E-15 GRAD(Rho)y -0.2173148E-16 GRAD(Rho)z -0.1239785E-15 Laplacian 0.5944616E+00 (-1/4)Del**2(Rho)) -0.1486154E+00 Diamond 0.1141055E+01 Metallicity 0.4563987E+01 Ellipticity 0.1583974E-01 Gb(Abramov) 0.2121234E+00 Vb(Abramov) -0.2756314E+00 Hb(Abramov) -0.6350800E-01 Ex_ueg -0.5553104E-01 Ec_ueg -0.8034218E-02 Delta_ex -0.6313813E-01 Delta_ec 0.1520835E-01 Delta_et -0.2011111E+00 Pxc 0.6911816E+01 Qxc -0.4151543E+01 3,-1 77 3 +1 -0.001089 -0.035869 3.093293 Rho 0.1296274E-01 |GRAD(Rho)| 0.1799163E-16 GRAD(Rho)x -0.1698484E-16 GRAD(Rho)y 0.5275420E-17 GRAD(Rho)z 0.2717317E-17 Laplacian 0.6494717E-01 (-1/4)Del**2(Rho)) -0.1623679E-01 Diamond 0.2812895E-02 Metallicity 0.7589520E+00 Ellipticity -0.1252608E+01 Gb(Abramov) 0.1287835E-01 Vb(Abramov) -0.9519914E-02 Hb(Abramov) 0.3358440E-02 Ex_ueg -0.2248956E-02 Ec_ueg -0.5041929E-03 Delta_ex -0.3237365E-02 Delta_ec 0.8056521E-03 Delta_et -0.6183193E-02 Pxc 0.4460506E+01 Qxc -0.4018317E+01 3,+1 78 3 +1 1.709736 2.945099 1.262439 Rho 0.1058983E-01 |GRAD(Rho)| 0.1819423E-13 GRAD(Rho)x -0.9374163E-15 GRAD(Rho)y 0.9245148E-14 GRAD(Rho)z -0.1564220E-13 Laplacian 0.4513815E-01 (-1/4)Del**2(Rho)) -0.1128454E-01 Diamond 0.1320291E-02 Metallicity 0.7796221E+00 Ellipticity -0.1229672E+01 Gb(Abramov) 0.8989304E-02 Vb(Abramov) -0.6694071E-02 Hb(Abramov) 0.2295234E-02 Ex_ueg -0.1717527E-02 Ec_ueg -0.3948682E-03 Delta_ex -0.2077580E-02 Delta_ec 0.4617389E-03 Delta_et -0.3458730E-02 Pxc 0.4349621E+01 Qxc -0.4499470E+01 3,+1 79 3 -1 -0.052822 4.687941 0.049590 Rho 0.1825655E+00 |GRAD(Rho)| 0.6451861E-15 GRAD(Rho)x -0.2367355E-15 GRAD(Rho)y 0.5719166E-15 GRAD(Rho)z 0.1820240E-15 Laplacian 0.6868940E+00 (-1/4)Del**2(Rho)) -0.1717235E+00 Diamond 0.1774194E+01 Metallicity 0.5894150E+01 Ellipticity 0.1683471E-01 Gb(Abramov) 0.2831764E+00 Vb(Abramov) -0.3946292E+00 Hb(Abramov) -0.1114529E+00 Ex_ueg -0.7649093E-01 Ec_ueg -0.1055984E-01 Delta_ex -0.7755439E-01 Delta_ec 0.1673359E-01 Delta_et -0.2286154E+00 Pxc 0.7243568E+01 Qxc -0.4634654E+01 3,-1 80 3 +1 1.479041 -2.444624 0.108238 Rho 0.2926191E-01 |GRAD(Rho)| 0.8032603E-16 GRAD(Rho)x 0.5484390E-16 GRAD(Rho)y -0.5861471E-16 GRAD(Rho)z -0.2955273E-17 Laplacian 0.1173316E+00 (-1/4)Del**2(Rho)) -0.2933290E-01 Diamond 0.1953683E-01 Metallicity 0.1631934E+01 Ellipticity -0.5355406E+01 Gb(Abramov) 0.2753349E-01 Vb(Abramov) -0.2573408E-01 Hb(Abramov) 0.1799406E-02 Ex_ueg -0.6659709E-02 Ec_ueg -0.1305599E-02 Delta_ex -0.7654209E-02 Delta_ec 0.2065774E-02 Delta_et -0.1893272E-01 Pxc 0.5100885E+01 Qxc -0.3705251E+01 3,+1 81 3 -1 0.451933 2.521127 0.085163 Rho 0.3731082E-01 |GRAD(Rho)| 0.4308489E-17 GRAD(Rho)x -0.1539906E-17 GRAD(Rho)y 0.3989525E-17 GRAD(Rho)z 0.5248428E-18 Laplacian 0.1495603E+00 (-1/4)Del**2(Rho)) -0.3739006E-01 Diamond 0.5460262E-01 Metallicity 0.1919500E+01 Ellipticity 0.3812992E-01 Gb(Abramov) 0.3688842E-01 Vb(Abramov) -0.3638677E-01 Hb(Abramov) 0.5016478E-03 Ex_ueg -0.9207987E-02 Ec_ueg -0.1726518E-02 Delta_ex -0.1167927E-01 Delta_ec 0.4883649E-02 Delta_et -0.4765818E-01 Pxc 0.5333271E+01 Qxc -0.2391504E+01 3,-1 82 3 -1 2.938972 2.010009 1.072214 Rho 0.6184013E-01 |GRAD(Rho)| 0.1483974E-15 GRAD(Rho)x 0.9492698E-17 GRAD(Rho)y 0.7458231E-17 GRAD(Rho)z -0.1479055E-15 Laplacian 0.2605191E+00 (-1/4)Del**2(Rho)) -0.6512977E-01 Diamond 0.1857186E+00 Metallicity 0.2557944E+01 Ellipticity 0.9378372E-02 Gb(Abramov) 0.7118623E-01 Vb(Abramov) -0.7724268E-01 Hb(Abramov) -0.6056456E-02 Ex_ueg -0.1806116E-01 Ec_ueg -0.3079110E-02 Delta_ex -0.2293768E-01 Delta_ec 0.8295415E-02 Delta_et -0.9264082E-01 Pxc 0.5865708E+01 Qxc -0.2765103E+01 3,-1 83 3 -1 0.046254 3.717743 -1.120184 Rho 0.1913145E+00 |GRAD(Rho)| 0.1135209E-14 GRAD(Rho)x 0.1131772E-15 GRAD(Rho)y 0.2787780E-15 GRAD(Rho)z -0.1094611E-14 Laplacian 0.7425538E+00 (-1/4)Del**2(Rho)) -0.1856384E+00 Diamond 0.2013830E+01 Metallicity 0.5894744E+01 Ellipticity 0.2514028E-02 Gb(Abramov) 0.3061408E+00 Vb(Abramov) -0.4266432E+00 Hb(Abramov) -0.1205024E+00 Ex_ueg -0.8141707E-01 Ec_ueg -0.1113889E-01 Delta_ex -0.8472680E-01 Delta_ec 0.1767255E-01 Delta_et -0.2419608E+00 Pxc 0.7309261E+01 Qxc -0.4794259E+01 3,-1 84 3 -1 0.954231 1.643549 1.598996 Rho 0.2879139E-01 |GRAD(Rho)| 0.3391761E-16 GRAD(Rho)x 0.2306947E-17 GRAD(Rho)y 0.7131938E-17 GRAD(Rho)z 0.3307897E-16 Laplacian 0.1032219E+00 (-1/4)Del**2(Rho)) -0.2580547E-01 Diamond 0.2310907E-01 Metallicity 0.1805562E+01 Ellipticity 0.6145462E-01 Gb(Abramov) 0.2496921E-01 Vb(Abramov) -0.2413295E-01 Hb(Abramov) 0.8362609E-03 Ex_ueg -0.6517313E-02 Ec_ueg -0.1281436E-02 Delta_ex -0.7271441E-02 Delta_ec 0.2829492E-02 Delta_et -0.2570969E-01 Pxc 0.5085946E+01 Qxc -0.2569876E+01 3,-1 85 3 -1 0.275968 3.569456 1.043042 Rho 0.5610394E-01 |GRAD(Rho)| 0.8952290E-16 GRAD(Rho)x -0.1801999E-16 GRAD(Rho)y -0.1536073E-16 GRAD(Rho)z -0.8633468E-16 Laplacian 0.2351736E+00 (-1/4)Del**2(Rho)) -0.5879341E-01 Diamond 0.1488306E+00 Metallicity 0.2409240E+01 Ellipticity 0.9868174E-02 Gb(Abramov) 0.6280351E-01 Vb(Abramov) -0.6681362E-01 Hb(Abramov) -0.4010104E-02 Ex_ueg -0.1586267E-01 Ec_ueg -0.2754955E-02 Delta_ex -0.2027746E-01 Delta_ec 0.7621877E-02 Delta_et -0.8304347E-01 Pxc 0.5757868E+01 Qxc -0.2660429E+01 3,-1 86 3 -1 0.392216 -0.669991 -0.013478 Rho 0.1544704E+00 |GRAD(Rho)| 0.1239812E-15 GRAD(Rho)x -0.1387779E-16 GRAD(Rho)y 0.6591949E-16 GRAD(Rho)z -0.1040834E-15 Laplacian 0.3464039E+00 (-1/4)Del**2(Rho)) -0.8660098E-01 Diamond 0.7480966E+00 Metallicity 0.8846523E+01 Ellipticity 0.5629544E-02 Gb(Abramov) 0.1854202E+00 Vb(Abramov) -0.2842395E+00 Hb(Abramov) -0.9881926E-01 Ex_ueg -0.6121326E-01 Ec_ueg -0.8730297E-02 Delta_ex -0.3767083E-01 Delta_ec 0.9082456E-02 Delta_et -0.1222518E+00 Pxc 0.7011590E+01 Qxc -0.4147647E+01 3,-1 87 3 +1 0.967955 -0.007808 1.464657 Rho 0.5672707E-02 |GRAD(Rho)| 0.4738402E-16 GRAD(Rho)x -0.8519947E-17 GRAD(Rho)y -0.2636816E-16 GRAD(Rho)z -0.3843665E-16 Laplacian 0.2152376E-01 (-1/4)Del**2(Rho)) -0.5380940E-02 Diamond 0.3484930E-03 Metallicity 0.5776689E+00 Ellipticity -0.1382600E+01 Gb(Abramov) 0.4105360E-02 Vb(Abramov) -0.2829780E-02 Hb(Abramov) 0.1275580E-02 Ex_ueg -0.7472035E-03 Ec_ueg -0.1759760E-03 Delta_ex -0.9034910E-03 Delta_ec 0.3326734E-03 Delta_et -0.2013697E-02 Pxc 0.4246053E+01 Qxc -0.2715850E+01 3,+1 88 3 -1 0.000648 0.016907 -1.151729 Rho 0.2048902E+00 |GRAD(Rho)| 0.3111545E-15 GRAD(Rho)x 0.6426608E-16 GRAD(Rho)y -0.6050526E-16 GRAD(Rho)z 0.2983724E-15 Laplacian 0.5945592E+00 (-1/4)Del**2(Rho)) -0.1486398E+00 Diamond 0.1701405E+01 Metallicity 0.8253153E+01 Ellipticity 0.2437898E-02 Gb(Abramov) 0.3035510E+00 Vb(Abramov) -0.4584623E+00 Hb(Abramov) -0.1549112E+00 Ex_ueg -0.8920993E-01 Ec_ueg -0.1204593E-01 Delta_ex -0.6871020E-01 Delta_ec 0.1330755E-01 Delta_et -0.1811925E+00 Pxc 0.7405813E+01 Qxc -0.5163250E+01 3,-1 89 3 -1 0.271148 -3.522358 1.082208 Rho 0.8936126E-01 |GRAD(Rho)| 0.9354879E-14 GRAD(Rho)x -0.1529703E-14 GRAD(Rho)y -0.8756754E-15 GRAD(Rho)z -0.9187326E-14 Laplacian 0.3594115E+00 (-1/4)Del**2(Rho)) -0.8985287E-01 Diamond 0.3856195E+00 Metallicity 0.3424549E+01 Ellipticity 0.2461137E-01 Gb(Abramov) 0.1111862E+00 Vb(Abramov) -0.1325195E+00 Hb(Abramov) -0.2133330E-01 Ex_ueg -0.2950648E-01 Ec_ueg -0.4685235E-02 Delta_ex -0.3403526E-01 Delta_ec 0.1010602E-01 Delta_et -0.1225076E+00 Pxc 0.6297759E+01 Qxc -0.3367821E+01 3,-1 90 3 -1 1.292914 -0.903584 3.008487 Rho 0.1486452E+00 |GRAD(Rho)| 0.1208398E-12 GRAD(Rho)x -0.1130905E-12 GRAD(Rho)y -0.4215297E-13 GRAD(Rho)z 0.5994095E-14 Laplacian 0.6185398E+00 (-1/4)Del**2(Rho)) -0.1546349E+00 Diamond 0.1235635E+01 Metallicity 0.4646903E+01 Ellipticity 0.1580698E-01 Gb(Abramov) 0.2228522E+00 Vb(Abramov) -0.2910695E+00 Hb(Abramov) -0.6821728E-01 Ex_ueg -0.5815488E-01 Ec_ueg -0.8356843E-02 Delta_ex -0.6623459E-01 Delta_ec 0.1565264E-01 Delta_et -0.2079291E+00 Pxc 0.6958954E+01 Qxc -0.4231529E+01 3,-1 91 3 +3 1.517146 -2.656781 1.128895 Rho 0.1166503E-01 |GRAD(Rho)| 0.1253113E-16 GRAD(Rho)x -0.2329258E-17 GRAD(Rho)y 0.9383735E-17 GRAD(Rho)z -0.7971774E-17 Laplacian 0.5348934E-01 (-1/4)Del**2(Rho)) -0.1337233E-01 Diamond 0.1100854E-02 Metallicity 0.7729575E+00 Ellipticity -0.5524028E+00 Gb(Abramov) 0.1063760E-01 Vb(Abramov) -0.7902860E-02 Hb(Abramov) 0.2734737E-02 Ex_ueg -0.1953887E-02 Ec_ueg -0.4441277E-03 Delta_ex -0.2321346E-02 Delta_ec 0.1794669E-03 Delta_et -0.1737901E-02 Pxc 0.4399381E+01 Qxc -0.1293468E+02 3,+3 92 3 -1 0.736478 -2.722547 2.462467 Rho 0.1639898E+00 |GRAD(Rho)| 0.2313985E-14 GRAD(Rho)x 0.4593223E-15 GRAD(Rho)y 0.1959994E-14 GRAD(Rho)z 0.1141041E-14 Laplacian 0.6371080E+00 (-1/4)Del**2(Rho)) -0.1592770E+00 Diamond 0.1434637E+01 Metallicity 0.5314081E+01 Ellipticity 0.3264064E-01 Gb(Abramov) 0.2472531E+00 Vb(Abramov) -0.3352293E+00 Hb(Abramov) -0.8797614E-01 Ex_ueg -0.6629399E-01 Ec_ueg -0.9344996E-02 Delta_ex -0.6992342E-01 Delta_ec 0.1576808E-01 Delta_et -0.2122756E+00 Pxc 0.7094063E+01 Qxc -0.4434491E+01 3,-1 93 3 -1 0.950664 -1.650986 1.608761 Rho 0.2742739E-01 |GRAD(Rho)| 0.8166009E-16 GRAD(Rho)x 0.1369367E-16 GRAD(Rho)y -0.1115857E-16 GRAD(Rho)z 0.7972666E-16 Laplacian 0.9852634E-01 (-1/4)Del**2(Rho)) -0.2463159E-01 Diamond 0.2003590E-01 Metallicity 0.1744623E+01 Ellipticity 0.6071800E-01 Gb(Abramov) 0.2358320E-01 Vb(Abramov) -0.2253481E-01 Hb(Abramov) 0.1048389E-02 Ex_ueg -0.6108920E-02 Ec_ueg -0.1211689E-02 Delta_ex -0.6799725E-02 Delta_ec 0.2596577E-02 Delta_et -0.2329105E-01 Pxc 0.5041655E+01 Qxc -0.2618726E+01 3,-1 94 3 -1 0.441451 -2.473481 0.156659 Rho 0.5195892E-01 |GRAD(Rho)| 0.1817484E-15 GRAD(Rho)x -0.3704096E-16 GRAD(Rho)y -0.1705628E-15 GRAD(Rho)z -0.5068317E-16 Laplacian 0.1955549E+00 (-1/4)Del**2(Rho)) -0.4888873E-01 Diamond 0.1035555E+00 Metallicity 0.2549439E+01 Ellipticity 0.2083095E-01 Gb(Abramov) 0.5336562E-01 Vb(Abramov) -0.5784251E-01 Hb(Abramov) -0.4476892E-02 Ex_ueg -0.1431963E-01 Ec_ueg -0.2523438E-02 Delta_ex -0.1621676E-01 Delta_ec 0.5759757E-02 Delta_et -0.6132532E-01 Pxc 0.5674651E+01 Qxc -0.2815528E+01 3,-1 95 3 +1 1.682152 -2.950243 1.278322 Rho 0.1221634E-01 |GRAD(Rho)| 0.1823456E-16 GRAD(Rho)x -0.1543579E-16 GRAD(Rho)y -0.9295264E-17 GRAD(Rho)z 0.2798825E-17 Laplacian 0.5719995E-01 (-1/4)Del**2(Rho)) -0.1429999E-01 Diamond 0.2022968E-02 Metallicity 0.7806432E+00 Ellipticity -0.1198596E+01 Gb(Abramov) 0.1139386E-01 Vb(Abramov) -0.8487726E-02 Hb(Abramov) 0.2906131E-02 Ex_ueg -0.2077973E-02 Ec_ueg -0.4695651E-03 Delta_ex -0.2732959E-02 Delta_ec 0.5782634E-03 Delta_et -0.4479949E-02 Pxc 0.4425313E+01 Qxc -0.4726149E+01 3,+1 96 3 -1 0.739827 2.730151 2.477609 Rho 0.1886568E+00 |GRAD(Rho)| 0.8447730E-13 GRAD(Rho)x 0.5120047E-13 GRAD(Rho)y 0.6109425E-13 GRAD(Rho)z -0.2797174E-13 Laplacian 0.7238643E+00 (-1/4)Del**2(Rho)) -0.1809661E+00 Diamond 0.1924879E+01 Metallicity 0.5907586E+01 Ellipticity 0.3200897E-01 Gb(Abramov) 0.2988228E+00 Vb(Abramov) -0.4166796E+00 Hb(Abramov) -0.1178567E+00 Ex_ueg -0.7991254E-01 Ec_ueg -0.1096253E-01 Delta_ex -0.8226124E-01 Delta_ec 0.1721984E-01 Delta_et -0.2352222E+00 Pxc 0.7289605E+01 Qxc -0.4777120E+01 3,-1 97 3 +1 1.212930 2.621257 0.072233 Rho 0.2433908E-01 |GRAD(Rho)| 0.1761632E-14 GRAD(Rho)x 0.1623212E-14 GRAD(Rho)y 0.4030457E-15 GRAD(Rho)z -0.5532495E-15 Laplacian 0.8767126E-01 (-1/4)Del**2(Rho)) -0.2191782E-01 Diamond 0.1021418E-01 Metallicity 0.1606680E+01 Ellipticity -0.3283456E+01 Gb(Abramov) 0.2048103E-01 Vb(Abramov) -0.1904425E-01 Hb(Abramov) 0.1436785E-02 Ex_ueg -0.5209434E-02 Ec_ueg -0.1055496E-02 Delta_ex -0.5319614E-02 Delta_ec 0.1319499E-02 Delta_et -0.1161337E-01 Pxc 0.4935534E+01 Qxc -0.4031542E+01 3,+1 98 3 +1 2.431652 0.153740 1.695825 Rho 0.4605566E-02 |GRAD(Rho)| 0.2985756E-16 GRAD(Rho)x 0.1320017E-16 GRAD(Rho)y 0.9208532E-17 GRAD(Rho)z 0.2514820E-16 Laplacian 0.1828978E-01 (-1/4)Del**2(Rho)) -0.4572444E-02 Diamond 0.3712637E-03 Metallicity 0.4803338E+00 Ellipticity -0.2566899E+01 Gb(Abramov) 0.3414346E-02 Vb(Abramov) -0.2256248E-02 Hb(Abramov) 0.1158098E-02 Ex_ueg -0.5659296E-03 Ec_ueg -0.1299784E-03 Delta_ex -0.8840903E-03 Delta_ec 0.5562100E-03 Delta_et -0.2955034E-02 Pxc 0.4354029E+01 Qxc -0.1589490E+01 3,+1 99 3 +3 1.556404 2.694772 1.116965 Rho 0.1025866E-01 |GRAD(Rho)| 0.1055265E-13 GRAD(Rho)x -0.4666406E-14 GRAD(Rho)y -0.8198076E-14 GRAD(Rho)z -0.4730177E-14 Laplacian 0.4297750E-01 (-1/4)Del**2(Rho)) -0.1074437E-01 Diamond 0.7694856E-03 Metallicity 0.7765864E+00 Ellipticity -0.4960728E+00 Gb(Abramov) 0.8553573E-02 Vb(Abramov) -0.6362770E-02 Hb(Abramov) 0.2190802E-02 Ex_ueg -0.1646288E-02 Ec_ueg -0.3797915E-03 Delta_ex -0.1806717E-02 Delta_ec 0.1637103E-03 Delta_et -0.1507017E-02 Pxc 0.4334717E+01 Qxc -0.1103606E+02 3,+3 100 3 -1 1.174332 3.679987 -0.108067 Rho 0.1151132E+00 |GRAD(Rho)| 0.9662613E-16 GRAD(Rho)x -0.9049022E-16 GRAD(Rho)y -0.3387454E-16 GRAD(Rho)z 0.8025637E-18 Laplacian 0.4664672E+00 (-1/4)Del**2(Rho)) -0.1166168E+00 Diamond 0.7047335E+00 Metallicity 0.4024084E+01 Ellipticity 0.1371062E-01 Gb(Abramov) 0.1559572E+00 Vb(Abramov) -0.1952976E+00 Hb(Abramov) -0.3934037E-01 Ex_ueg -0.4135726E-01 Ec_ueg -0.6249317E-02 Delta_ex -0.4723368E-01 Delta_ec 0.1304081E-01 Delta_et -0.1670491E+00 Pxc 0.6617885E+01 Qxc -0.3621991E+01 3,-1 101 3 -1 1.124519 -3.603987 -0.029984 Rho 0.1411213E+00 |GRAD(Rho)| 0.3130519E-15 GRAD(Rho)x 0.3085639E-15 GRAD(Rho)y -0.5258846E-16 GRAD(Rho)z -0.4924014E-17 Laplacian 0.5392263E+00 (-1/4)Del**2(Rho)) -0.1348066E+00 Diamond 0.1024165E+01 Metallicity 0.4888359E+01 Ellipticity 0.4445216E-01 Gb(Abramov) 0.1997016E+00 Vb(Abramov) -0.2645965E+00 Hb(Abramov) -0.6489498E-01 Ex_ueg -0.5426359E-01 Ec_ueg -0.7877596E-02 Delta_ex -0.5714266E-01 Delta_ec 0.1405530E-01 Delta_et -0.1858157E+00 Pxc 0.6888345E+01 Qxc -0.4065558E+01 3,-1 102 3 -1 1.269537 2.206339 3.808856 Rho 0.2137205E+00 |GRAD(Rho)| 0.7701331E-14 GRAD(Rho)x 0.6890959E-14 GRAD(Rho)y 0.2921247E-14 GRAD(Rho)z 0.1814250E-14 Laplacian 0.7761420E+00 (-1/4)Del**2(Rho)) -0.1940355E+00 Diamond 0.2405999E+01 Metallicity 0.6782905E+01 Ellipticity 0.2482768E-02 Gb(Abramov) 0.3487110E+00 Vb(Abramov) -0.5033866E+00 Hb(Abramov) -0.1546755E+00 Ex_ueg -0.9437277E-01 Ec_ueg -0.1264144E-01 Delta_ex -0.9110914E-01 Delta_ec 0.1793446E-01 Delta_et -0.2477924E+00 Pxc 0.7465351E+01 Qxc -0.5080118E+01 3,-1 103 3 -1 1.298187 0.882819 2.996324 Rho 0.1200342E+00 |GRAD(Rho)| 0.1385127E-14 GRAD(Rho)x -0.1083321E-15 GRAD(Rho)y 0.1380162E-14 GRAD(Rho)z -0.4465049E-16 Laplacian 0.5010931E+00 (-1/4)Del**2(Rho)) -0.1252733E+00 Diamond 0.7793908E+00 Metallicity 0.4016703E+01 Ellipticity 0.1284732E-01 Gb(Abramov) 0.1673798E+00 Vb(Abramov) -0.2094863E+00 Hb(Abramov) -0.4210651E-01 Ex_ueg -0.4373123E-01 Ec_ueg -0.6553883E-02 Delta_ex -0.5101893E-01 Delta_ec 0.1347441E-01 Delta_et -0.1732951E+00 Pxc 0.6672568E+01 Qxc -0.3786356E+01 3,-1 104 3 +3 1.826011 0.007416 1.298387 Rho 0.3732049E-02 |GRAD(Rho)| 0.4168897E-17 GRAD(Rho)x -0.1521890E-17 GRAD(Rho)y 0.1362084E-17 GRAD(Rho)z 0.3634319E-17 Laplacian 0.1518140E-01 (-1/4)Del**2(Rho)) -0.3795350E-02 Diamond 0.1010378E-03 Metallicity 0.4075807E+00 Ellipticity -0.2789479E+00 Gb(Abramov) 0.2788052E-02 Vb(Abramov) -0.1780754E-02 Hb(Abramov) 0.1007298E-02 Ex_ueg -0.4275447E-03 Ec_ueg -0.9276254E-04 Delta_ex -0.5250524E-03 Delta_ec 0.1401817E-03 Delta_et -0.8367178E-03 Pxc 0.4609023E+01 Qxc -0.3745513E+01 3,+3 105 3 -1 1.942088 1.641561 0.108567 Rho 0.4324869E-01 |GRAD(Rho)| 0.3309237E-15 GRAD(Rho)x 0.3017885E-15 GRAD(Rho)y 0.1225932E-15 GRAD(Rho)z -0.5835316E-16 Laplacian 0.1759416E+00 (-1/4)Del**2(Rho)) -0.4398540E-01 Diamond 0.7855163E-01 Metallicity 0.2087051E+01 Ellipticity 0.1882794E-01 Gb(Abramov) 0.4462356E-01 Vb(Abramov) -0.4526172E-01 Hb(Abramov) -0.6381600E-03 Ex_ueg -0.1121198E-01 Ec_ueg -0.2045234E-02 Delta_ex -0.1424396E-01 Delta_ec 0.5745058E-02 Delta_et -0.5838870E-01 Pxc 0.5482005E+01 Qxc -0.2479342E+01 3,-1 106 3 +1 1.959271 1.743329 1.031069 Rho 0.1982628E-01 |GRAD(Rho)| 0.4081103E-16 GRAD(Rho)x -0.3819942E-16 GRAD(Rho)y 0.1149859E-17 GRAD(Rho)z 0.1431858E-16 Laplacian 0.7137688E-01 (-1/4)Del**2(Rho)) -0.1784422E-01 Diamond 0.6294695E-02 Metallicity 0.1402139E+01 Ellipticity -0.2642208E+01 Gb(Abramov) 0.1606616E-01 Vb(Abramov) -0.1428810E-01 Hb(Abramov) 0.1778060E-02 Ex_ueg -0.3963147E-02 Ec_ueg -0.8319309E-03 Delta_ex -0.4101921E-02 Delta_ec 0.1081283E-02 Delta_et -0.9058705E-02 Pxc 0.4763794E+01 Qxc -0.3793570E+01 3,+1 107 3 -1 1.999466 1.992388 2.484920 Rho 0.1848938E+00 |GRAD(Rho)| 0.5929600E-12 GRAD(Rho)x -0.5213009E-12 GRAD(Rho)y -0.2508204E-13 GRAD(Rho)z 0.2814566E-12 Laplacian 0.7075434E+00 (-1/4)Del**2(Rho)) -0.1768859E+00 Diamond 0.1840804E+01 Metallicity 0.5844277E+01 Ellipticity 0.2840326E-01 Gb(Abramov) 0.2902189E+00 Vb(Abramov) -0.4035519E+00 Hb(Abramov) -0.1133330E+00 Ex_ueg -0.7779439E-01 Ec_ueg -0.1071352E-01 Delta_ex -0.8003002E-01 Delta_ec 0.1698052E-01 Delta_et -0.2316862E+00 Pxc 0.7261330E+01 Qxc -0.4713048E+01 3,-1 108 3 -1 1.972442 -2.017167 2.452258 Rho 0.1652491E+00 |GRAD(Rho)| 0.5405321E-14 GRAD(Rho)x -0.4577583E-14 GRAD(Rho)y 0.7331646E-15 GRAD(Rho)z 0.2779515E-14 Laplacian 0.6422671E+00 (-1/4)Del**2(Rho)) -0.1605668E+00 Diamond 0.1459203E+01 Metallicity 0.5339036E+01 Ellipticity 0.3582059E-01 Gb(Abramov) 0.2499232E+00 Vb(Abramov) -0.3392795E+00 Hb(Abramov) -0.8935637E-01 Ex_ueg -0.6697366E-01 Ec_ueg -0.9426721E-02 Delta_ex -0.7062051E-01 Delta_ec 0.1585844E-01 Delta_et -0.2136744E+00 Pxc 0.7104661E+01 Qxc -0.4453182E+01 3,-1 109 3 -1 1.913950 -1.621600 0.145209 Rho 0.5247181E-01 |GRAD(Rho)| 0.6419344E-16 GRAD(Rho)x 0.6417037E-16 GRAD(Rho)y -0.1070438E-17 GRAD(Rho)z 0.1347312E-17 Laplacian 0.1968946E+00 (-1/4)Del**2(Rho)) -0.4922365E-01 Diamond 0.1058844E+00 Metallicity 0.2573887E+01 Ellipticity 0.2296442E-01 Gb(Abramov) 0.5393178E-01 Vb(Abramov) -0.5863992E-01 Hb(Abramov) -0.4708132E-02 Ex_ueg -0.1450841E-01 Ec_ueg -0.2551955E-02 Delta_ex -0.1637730E-01 Delta_ec 0.5814480E-02 Delta_et -0.6207050E-01 Pxc 0.5685213E+01 Qxc -0.2816641E+01 3,-1 110 3 -1 2.519287 -2.791778 -0.039674 Rho 0.1192220E+00 |GRAD(Rho)| 0.3336511E-15 GRAD(Rho)x -0.2580401E-15 GRAD(Rho)y -0.2115143E-15 GRAD(Rho)z 0.1818739E-18 Laplacian 0.4607791E+00 (-1/4)Del**2(Rho)) -0.1151948E+00 Diamond 0.7122526E+00 Metallicity 0.4318977E+01 Ellipticity 0.3404315E-01 Gb(Abramov) 0.1597171E+00 Vb(Abramov) -0.2042395E+00 Hb(Abramov) -0.4452234E-01 Ex_ueg -0.4333713E-01 Ec_ueg -0.6503497E-02 Delta_ex -0.4685741E-01 Delta_ec 0.1244362E-01 Delta_et -0.1599020E+00 Pxc 0.6663666E+01 Qxc -0.3765576E+01 3,-1 111 3 -1 2.592080 2.852229 -0.088571 Rho 0.1302732E+00 |GRAD(Rho)| 0.3415533E-14 GRAD(Rho)x 0.3375907E-14 GRAD(Rho)y 0.1079052E-15 GRAD(Rho)z 0.5074170E-15 Laplacian 0.5189753E+00 (-1/4)Del**2(Rho)) -0.1297438E+00 Diamond 0.9095881E+00 Metallicity 0.4445204E+01 Ellipticity 0.2592392E-01 Gb(Abramov) 0.1826189E+00 Vb(Abramov) -0.2354939E+00 Hb(Abramov) -0.5287503E-01 Ex_ueg -0.4877440E-01 Ec_ueg -0.7192946E-02 Delta_ex -0.5411361E-01 Delta_ec 0.1409466E-01 Delta_et -0.1845539E+00 Pxc 0.6780866E+01 Qxc -0.3839298E+01 3,-1 112 3 -1 3.012576 -1.827098 -0.995347 Rho 0.2168625E+00 |GRAD(Rho)| 0.6597751E-12 GRAD(Rho)x 0.7384454E-13 GRAD(Rho)y -0.3643621E-13 GRAD(Rho)z 0.6546163E-12 Laplacian 0.8464522E+00 (-1/4)Del**2(Rho)) -0.2116130E+00 Diamond 0.2627262E+01 Metallicity 0.6372621E+01 Ellipticity 0.2912862E-02 Gb(Abramov) 0.3658303E+00 Vb(Abramov) -0.5200476E+00 Hb(Abramov) -0.1542173E+00 Ex_ueg -0.9622714E-01 Ec_ueg -0.1285437E-01 Delta_ex -0.9947368E-01 Delta_ec 0.1900968E-01 Delta_et -0.2611038E+00 Pxc 0.7485950E+01 Qxc -0.5232792E+01 3,-1 113 3 -1 2.896690 -2.012790 1.060705 Rho 0.8736846E-01 |GRAD(Rho)| 0.7869204E-15 GRAD(Rho)x 0.2060967E-15 GRAD(Rho)y 0.5301325E-16 GRAD(Rho)z -0.7575998E-15 Laplacian 0.3494841E+00 (-1/4)Del**2(Rho)) -0.8737104E-01 Diamond 0.3652102E+00 Metallicity 0.3391903E+01 Ellipticity 0.2540255E-01 Gb(Abramov) 0.1076397E+00 Vb(Abramov) -0.1279084E+00 Hb(Abramov) -0.2026867E-01 Ex_ueg -0.2863241E-01 Ec_ueg -0.4566459E-02 Delta_ex -0.3293075E-01 Delta_ec 0.9886460E-02 Delta_et -0.1192895E+00 Pxc 0.6270157E+01 Qxc -0.3330894E+01 3,-1 114 3 -1 3.248962 0.885341 0.107370 Rho 0.9533088E-01 |GRAD(Rho)| 0.6060978E-14 GRAD(Rho)x -0.4583592E-14 GRAD(Rho)y -0.3940994E-14 GRAD(Rho)z -0.4412584E-15 Laplacian 0.4175552E+00 (-1/4)Del**2(Rho)) -0.1043888E+00 Diamond 0.5134555E+00 Metallicity 0.3283134E+01 Ellipticity 0.2113692E-02 Gb(Abramov) 0.1267129E+00 Vb(Abramov) -0.1490371E+00 Hb(Abramov) -0.2232413E-01 Ex_ueg -0.3216349E-01 Ec_ueg -0.5043092E-02 Delta_ex -0.4066668E-01 Delta_ec 0.1252293E-01 Delta_et -0.1549207E+00 Pxc 0.6377733E+01 Qxc -0.3247378E+01 3,-1 115 3 -1 3.151322 1.822997 -1.070353 Rho 0.1925362E+00 |GRAD(Rho)| 0.1215412E-13 GRAD(Rho)x -0.1114105E-13 GRAD(Rho)y -0.3886025E-14 GRAD(Rho)z -0.2915203E-14 Laplacian 0.7528316E+00 (-1/4)Del**2(Rho)) -0.1882079E+00 Diamond 0.2049609E+01 Metallicity 0.5876282E+01 Ellipticity 0.6572749E-02 Gb(Abramov) 0.3097991E+00 Vb(Abramov) -0.4313902E+00 Hb(Abramov) -0.1215911E+00 Ex_ueg -0.8211104E-01 Ec_ueg -0.1122010E-01 Delta_ex -0.8598293E-01 Delta_ec 0.1778743E-01 Delta_et -0.2433512E+00 Pxc 0.7318212E+01 Qxc -0.4833915E+01 3,-1 116 3 -1 3.972315 -2.261581 0.062132 Rho 0.2104687E+00 |GRAD(Rho)| 0.6469825E-13 GRAD(Rho)x -0.5930982E-13 GRAD(Rho)y 0.2491681E-13 GRAD(Rho)z -0.6882027E-14 Laplacian 0.7836678E+00 (-1/4)Del**2(Rho)) -0.1959169E+00 Diamond 0.2375733E+01 Metallicity 0.6548279E+01 Ellipticity 0.1548149E-01 Gb(Abramov) 0.3444311E+00 Vb(Abramov) -0.4929452E+00 Hb(Abramov) -0.1485141E+00 Ex_ueg -0.9246311E-01 Ec_ueg -0.1242164E-01 Delta_ex -0.9157243E-01 Delta_ec 0.1808163E-01 Delta_et -0.2491744E+00 Pxc 0.7443712E+01 Qxc -0.5064392E+01 3,-1 117 3 -1 -3.911113 -2.368196 0.077548 Rho 0.2115003E+00 |GRAD(Rho)| 0.2534590E-15 GRAD(Rho)x 0.1103718E-15 GRAD(Rho)y 0.2252430E-15 GRAD(Rho)z -0.3640209E-16 Laplacian 0.7889164E+00 (-1/4)Del**2(Rho)) -0.1972291E+00 Diamond 0.2405600E+01 Metallicity 0.6557934E+01 Ellipticity 0.1601561E-01 Gb(Abramov) 0.3470553E+00 Vb(Abramov) -0.4968815E+00 Hb(Abramov) -0.1498262E+00 Ex_ueg -0.9306783E-01 Ec_ueg -0.1249130E-01 Delta_ex -0.9230073E-01 Delta_ec 0.1817624E-01 Delta_et -0.2505564E+00 Pxc 0.7450612E+01 Qxc -0.5078098E+01 3,-1 118 3 -1 -3.171168 -1.541973 1.079661 Rho 0.8672561E-01 |GRAD(Rho)| 0.6959318E-13 GRAD(Rho)x 0.4133583E-13 GRAD(Rho)y 0.4163995E-13 GRAD(Rho)z 0.3742557E-13 Laplacian 0.3475131E+00 (-1/4)Del**2(Rho)) -0.8687828E-01 Diamond 0.3594984E+00 Metallicity 0.3369413E+01 Ellipticity 0.2252170E-01 Gb(Abramov) 0.1067070E+00 Vb(Abramov) -0.1265357E+00 Hb(Abramov) -0.1982870E-01 Ex_ueg -0.2835186E-01 Ec_ueg -0.4528218E-02 Delta_ex -0.3268086E-01 Delta_ec 0.9830566E-02 Delta_et -0.1184139E+00 Pxc 0.6261151E+01 Qxc -0.3324413E+01 3,-1 119 3 -1 -2.710372 -0.745135 2.460446 Rho 0.1671507E+00 |GRAD(Rho)| 0.4804653E-13 GRAD(Rho)x 0.9063727E-14 GRAD(Rho)y -0.4695200E-13 GRAD(Rho)z 0.4672058E-14 Laplacian 0.6455240E+00 (-1/4)Del**2(Rho)) -0.1613810E+00 Diamond 0.1490307E+01 Metallicity 0.5414367E+01 Ellipticity 0.3335376E-01 Gb(Abramov) 0.2532166E+00 Vb(Abramov) -0.3450523E+00 Hb(Abramov) -0.9183565E-01 Ex_ueg -0.6800318E-01 Ec_ueg -0.9550297E-02 Delta_ex -0.7121076E-01 Delta_ec 0.1594466E-01 Delta_et -0.2152730E+00 Pxc 0.7120531E+01 Qxc -0.4466120E+01 3,-1 120 3 -1 -1.420585 0.653057 2.999754 Rho 0.1440926E+00 |GRAD(Rho)| 0.6141651E-15 GRAD(Rho)x 0.5097377E-15 GRAD(Rho)y 0.3407512E-15 GRAD(Rho)z 0.3542461E-16 Laplacian 0.5999629E+00 (-1/4)Del**2(Rho)) -0.1499907E+00 Diamond 0.1157973E+01 Metallicity 0.4548744E+01 Ellipticity 0.1438600E-01 Gb(Abramov) 0.2137054E+00 Vb(Abramov) -0.2774200E+00 Hb(Abramov) -0.6371466E-01 Ex_ueg -0.5579225E-01 Ec_ueg -0.8066433E-02 Delta_ex -0.6379284E-01 Delta_ec 0.1536358E-01 Delta_et -0.2033285E+00 Pxc 0.6916595E+01 Qxc -0.4152212E+01 3,-1 121 3 -1 -0.830730 -3.224514 0.181016 Rho 0.1455658E+00 |GRAD(Rho)| 0.3981115E-14 GRAD(Rho)x -0.2050741E-14 GRAD(Rho)y 0.2341877E-15 GRAD(Rho)z -0.3404246E-14 Laplacian 0.6016746E+00 (-1/4)Del**2(Rho)) -0.1504187E+00 Diamond 0.1177501E+01 Metallicity 0.4613359E+01 Ellipticity 0.7531579E-02 Gb(Abramov) 0.2159350E+00 Vb(Abramov) -0.2814513E+00 Hb(Abramov) -0.6551631E-01 Ex_ueg -0.5655413E-01 Ec_ueg -0.8160270E-02 Delta_ex -0.6415448E-01 Delta_ec 0.1540495E-01 Delta_et -0.2042563E+00 Pxc 0.6930424E+01 Qxc -0.4164536E+01 3,-1 122 3 -1 -0.845332 3.309714 0.045381 Rho 0.1202396E+00 |GRAD(Rho)| 0.1458132E-15 GRAD(Rho)x 0.1242496E-15 GRAD(Rho)y -0.6880618E-16 GRAD(Rho)z -0.3300379E-16 Laplacian 0.5115544E+00 (-1/4)Del**2(Rho)) -0.1278886E+00 Diamond 0.8179611E+00 Metallicity 0.3945788E+01 Ellipticity 0.6219781E-02 Gb(Abramov) 0.1693626E+00 Vb(Abramov) -0.2108366E+00 Hb(Abramov) -0.4147401E-01 Ex_ueg -0.4383103E-01 Ec_ueg -0.6566631E-02 Delta_ex -0.5238168E-01 Delta_ec 0.1424373E-01 Delta_et -0.1840553E+00 Pxc 0.6674812E+01 Qxc -0.3677526E+01 3,-1 123 3 -1 0.126499 1.552568 2.994024 Rho 0.1258188E+00 |GRAD(Rho)| 0.2257509E-12 GRAD(Rho)x 0.2040687E-12 GRAD(Rho)y 0.9653431E-13 GRAD(Rho)z -0.7498393E-15 Laplacian 0.5285977E+00 (-1/4)Del**2(Rho)) -0.1321494E+00 Diamond 0.8700329E+00 Metallicity 0.4118419E+01 Ellipticity 0.1152604E-01 Gb(Abramov) 0.1788074E+00 Vb(Abramov) -0.2254654E+00 Hb(Abramov) -0.4665798E-01 Ex_ueg -0.4656352E-01 Ec_ueg -0.6914053E-02 Delta_ex -0.5442819E-01 Delta_ec 0.1405793E-01 Delta_et -0.1822661E+00 Pxc 0.6734621E+01 Qxc -0.3871707E+01 3,-1 124 3 -1 1.286540 -2.227299 3.814261 Rho 0.2159952E+00 |GRAD(Rho)| 0.6616811E-15 GRAD(Rho)x -0.9589768E-16 GRAD(Rho)y -0.1035413E-15 GRAD(Rho)z 0.6464555E-15 Laplacian 0.7810291E+00 (-1/4)Del**2(Rho)) -0.1952573E+00 Diamond 0.2451824E+01 Metallicity 0.6860450E+01 Ellipticity 0.7576683E-03 Gb(Abramov) 0.3534303E+00 Vb(Abramov) -0.5116034E+00 Hb(Abramov) -0.1581731E+00 Ex_ueg -0.9571436E-01 Ec_ueg -0.1279553E-01 Delta_ex -0.9193084E-01 Delta_ec 0.1799008E-01 Delta_et -0.2487221E+00 Pxc 0.7480294E+01 Qxc -0.5110085E+01 3,-1 125 3 -1 3.223517 -0.916837 0.138181 Rho 0.1687210E+00 |GRAD(Rho)| 0.7582370E-15 GRAD(Rho)x -0.7935682E-16 GRAD(Rho)y -0.7359022E-15 GRAD(Rho)z -0.1645412E-15 Laplacian 0.6888743E+00 (-1/4)Del**2(Rho)) -0.1722186E+00 Diamond 0.1597943E+01 Metallicity 0.5153337E+01 Ellipticity 0.8596670E-02 Gb(Abramov) 0.2627291E+00 Vb(Abramov) -0.3532397E+00 Hb(Abramov) -0.9051055E-01 Ex_ueg -0.6885636E-01 Ec_ueg -0.9652511E-02 Delta_ex -0.7608178E-01 Delta_ec 0.1681633E-01 Delta_et -0.2268626E+00 Pxc 0.7133517E+01 Qxc -0.4524280E+01 3,-1 126 3 -1 -3.039146 -1.767722 -0.975424 Rho 0.2177634E+00 |GRAD(Rho)| 0.3741569E-12 GRAD(Rho)x -0.7067437E-13 GRAD(Rho)y 0.5109032E-15 GRAD(Rho)z 0.3674210E-12 Laplacian 0.8516429E+00 (-1/4)Del**2(Rho)) -0.2129107E+00 Diamond 0.2653394E+01 Metallicity 0.6377693E+01 Ellipticity 0.3247164E-02 Gb(Abramov) 0.3682537E+00 Vb(Abramov) -0.5235967E+00 Hb(Abramov) -0.1553430E+00 Ex_ueg -0.9676051E-01 Ec_ueg -0.1291552E-01 Delta_ex -0.1001718E+00 Delta_ec 0.1906909E-01 Delta_et -0.2618426E+00 Pxc 0.7491802E+01 Qxc -0.5253095E+01 3,-1 127 3 -1 -2.562608 -0.019012 3.809390 Rho 0.2151842E+00 |GRAD(Rho)| 0.4939241E-15 GRAD(Rho)x 0.2567391E-15 GRAD(Rho)y 0.8809143E-17 GRAD(Rho)z -0.4218631E-15 Laplacian 0.7795970E+00 (-1/4)Del**2(Rho)) -0.1948993E+00 Diamond 0.2436138E+01 Metallicity 0.6830098E+01 Ellipticity 0.1436529E-02 Gb(Abramov) 0.3517963E+00 Vb(Abramov) -0.5086934E+00 Hb(Abramov) -0.1568971E+00 Ex_ueg -0.9523550E-01 Ec_ueg -0.1274056E-01 Delta_ex -0.9167256E-01 Delta_ec 0.1797450E-01 Delta_et -0.2484392E+00 Pxc 0.7474985E+01 Qxc -0.5100145E+01 3,-1 128 3 -1 0.012715 -3.520941 -0.968366 Rho 0.2173100E+00 |GRAD(Rho)| 0.7542824E-16 GRAD(Rho)x 0.9269929E-17 GRAD(Rho)y 0.7415943E-16 GRAD(Rho)z 0.1019150E-16 Laplacian 0.8538294E+00 (-1/4)Del**2(Rho)) -0.2134574E+00 Diamond 0.2651722E+01 Metallicity 0.6339304E+01 Ellipticity 0.3957411E-02 Gb(Abramov) 0.3678334E+00 Vb(Abramov) -0.5222095E+00 Hb(Abramov) -0.1543761E+00 Ex_ueg -0.9649201E-01 Ec_ueg -0.1288474E-01 Delta_ex -0.1003637E+00 Delta_ec 0.1910964E-01 Delta_et -0.2622922E+00 Pxc 0.7488860E+01 Qxc -0.5251991E+01 3,-1 129 3 -1 -0.072837 -4.573063 0.084490 Rho 0.2119664E+00 |GRAD(Rho)| 0.1174178E-14 GRAD(Rho)x 0.2413570E-15 GRAD(Rho)y 0.1144321E-14 GRAD(Rho)z -0.1047339E-15 Laplacian 0.7902161E+00 (-1/4)Del**2(Rho)) -0.1975540E+00 Diamond 0.2415404E+01 Metallicity 0.6571215E+01 Ellipticity 0.1738400E-01 Gb(Abramov) 0.3480643E+00 Vb(Abramov) -0.4985747E+00 Hb(Abramov) -0.1505103E+00 Ex_ueg -0.9334143E-01 Ec_ueg -0.1252280E-01 Delta_ex -0.9250172E-01 Delta_ec 0.1818886E-01 Delta_et -0.2507449E+00 Pxc 0.7453719E+01 Qxc -0.5085625E+01 3,-1 130 3 -1 0.397456 0.682333 -0.007889 Rho 0.1641807E+00 |GRAD(Rho)| 0.6808961E-15 GRAD(Rho)x 0.4787837E-15 GRAD(Rho)y -0.2220446E-15 GRAD(Rho)z 0.4302114E-15 Laplacian 0.3818062E+00 (-1/4)Del**2(Rho)) -0.9545155E-01 Diamond 0.8821923E+00 Metallicity 0.8884649E+01 Ellipticity 0.5320460E-02 Gb(Abramov) 0.2049766E+00 Vb(Abramov) -0.3145017E+00 Hb(Abramov) -0.1095251E+00 Ex_ueg -0.6639690E-01 Ec_ueg -0.9357377E-02 Delta_ex -0.4210342E-01 Delta_ec 0.9781588E-02 Delta_et -0.1325834E+00 Pxc 0.7095674E+01 Qxc -0.4304355E+01 3,-1 131 3 -1 4.058779 2.265226 0.069802 Rho 0.1826461E+00 |GRAD(Rho)| 0.5851992E-15 GRAD(Rho)x -0.5641104E-15 GRAD(Rho)y -0.1521407E-15 GRAD(Rho)z -0.3302751E-16 Laplacian 0.6933773E+00 (-1/4)Del**2(Rho)) -0.1733443E+00 Diamond 0.1787595E+01 Metallicity 0.5843339E+01 Ellipticity 0.1980860E-01 Gb(Abramov) 0.2843812E+00 Vb(Abramov) -0.3954180E+00 Hb(Abramov) -0.1110368E+00 Ex_ueg -0.7653600E-01 Ec_ueg -0.1056516E-01 Delta_ex -0.7826219E-01 Delta_ec 0.1683080E-01 Delta_et -0.2297771E+00 Pxc 0.7244186E+01 Qxc -0.4649937E+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 94 121 128 89 101 129 116 81 83 122 100 85 79 72 70 120 119 58 127 109 125 112 113 110 102 84 103 123 107 96 49 48 60 64 50 52 56 126 63 53 118 117 93 90 76 108 92 124 105 114 115 131 82 111 86 88 130 71 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 36 36 36 2.361741 1.925149 1.779898 2.133323 1.951309 1.790887 1.793739 2.485074 1.828969 1.996851 2.024322 2.311449 1.848744 2.627320 1.987448 1.930507 1.883812 1.846009 1.785245 2.358096 1.869565 1.780826 2.142324 2.017853 1.787889 2.616447 2.003159 1.983371 1.844859 1.836610 1.848966 2.443716 1.827840 1.951088 2.109019 2.270597 2.360293 1.779231 1.984670 1.895769 2.145421 1.791717 2.641631 1.918937 1.933324 1.888179 1.891313 1.783756 2.422317 2.082502 1.826410 1.848344 2.273000 1.976665 1.783043 1.651740 1.756044 1.769842 2.363426 1.925495 1.779939 2.133726 1.951782 1.790905 1.793755 2.487394 1.828977 1.996994 2.024545 2.311682 1.848755 2.628588 1.987907 1.930952 1.884215 1.846289 1.785257 2.359617 1.869798 1.780884 2.142747 2.018302 1.787908 2.617817 2.003606 1.983816 1.845131 1.836868 1.848974 2.445770 1.827852 1.951250 2.109266 2.270865 2.362199 1.779265 1.985019 1.896120 2.145838 1.791737 2.642879 1.919450 1.933816 1.888603 1.891738 1.783759 2.424800 2.082668 1.826415 1.848356 2.273238 1.976875 1.783061 1.651744 1.756065 1.769868 28 23 22 26 25 22 25 29 24 23 25 28 23 29 25 23 24 23 23 27 22 25 27 25 25 29 27 23 24 24 24 27 25 26 26 27 27 22 24 25 27 25 29 27 27 25 26 21 28 26 23 23 27 25 24 23 22 24 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 W O Ta W W W Ta O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O 2.2941 -0.9484 1.9603 2.3151 2.2899 2.3024 1.9723 -0.9473 -1.0547 2.2813 2.3223 1.9632 -1.0776 -0.9615 -1.0625 -1.0732 -0.8853 -0.9904 -1.0208 -0.9861 -1.0136 -0.9872 -1.0284 -0.9922 -1.0451 -0.8853 -0.9905 -0.8925 -1.0115 -1.0518 -0.9826 -1.0274 -1.0128 -1.0804 -1.0109 2.1221 -0.9426 -0.9796 -1.0319 -0.9712 -0.9399 -0.9377 -1.0594 -0.9407 2.1477 1.9394 2.1783 2.1320 2.1524 2.1421 2.1684 1.9403 1.9240 2.1565 2.1235 2.1720 1.9314 1.9423 1.9363 1.9334 1.9434 1.9278 1.9255 1.9247 1.9258 1.9242 1.9244 1.9254 1.9185 1.9430 1.9243 1.9427 1.9314 1.9241 1.9361 1.9305 1.9310 1.9200 1.9317 0.9163 1.9399 1.9361 1.9296 1.9377 1.9401 1.9415 1.9238 1.9412 6.1153 4.9819 6.1117 6.1107 6.1165 6.1122 6.1064 4.9790 5.1102 6.1189 6.1100 6.1071 5.1151 4.9895 5.0966 5.1094 4.9128 5.0360 5.0732 5.0336 5.0653 5.0353 5.0820 5.0394 5.1040 4.9132 5.0385 4.9210 5.0530 5.1072 5.0190 5.0693 5.0547 5.1363 5.0519 1.4345 4.9753 5.0160 5.0739 5.0059 4.9723 4.9677 5.1152 4.9712 3.4134 0.0271 2.7167 3.4122 3.4119 3.4135 2.7197 0.0280 0.0205 3.4139 3.4142 2.7246 0.0311 0.0296 0.0296 0.0303 0.0292 0.0266 0.0221 0.0277 0.0224 0.0277 0.0220 0.0274 0.0227 0.0290 0.0277 0.0288 0.0271 0.0205 0.0275 0.0276 0.0271 0.0241 0.0273 10.5270 0.0274 0.0275 0.0284 0.0276 0.0275 0.0285 0.0204 0.0283 14.0295 0.0000 14.0330 14.0300 14.0294 14.0298 14.0332 0.0000 0.0000 14.0294 14.0301 14.0332 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 W O Ta W W W Ta O O W W Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O 2.474989 -1.027029 2.310728 2.475226 2.468470 2.472087 2.311319 -1.023279 -1.188157 2.472693 2.476531 2.315366 -1.082874 -1.072596 -1.086088 -1.084887 -0.966234 -1.032080 -1.132234 -1.027431 -1.126686 -1.029734 -1.145429 -1.019576 -1.099783 -0.962682 -1.027963 -0.972652 -1.048936 -1.184739 -1.043446 -1.058010 -1.050073 -1.127385 -1.047472 2.271130 -1.020063 -1.040855 -1.045396 -1.037028 -1.016838 -1.012666 -1.192214 -1.016024 1.942907 -0.977647 1.857581 1.908162 1.944348 1.915317 1.852971 -0.972529 -1.170683 1.951788 1.902373 1.863582 -0.676545 -0.932528 -0.689986 -0.684352 -0.883590 -0.759576 -1.087504 -0.760384 -1.079150 -0.767296 -1.102980 -0.726849 -0.801883 -0.882069 -0.752092 -0.892825 -0.898753 -1.167340 -0.902814 -0.899464 -0.902276 -0.960596 -0.897061 1.801855 -0.969450 -0.901525 -0.872902 -0.899463 -0.966378 -0.959870 -1.178489 -0.964035 2.043251 -0.951710 1.977474 2.013738 2.046919 2.022319 1.963992 -0.937750 -1.160744 2.049544 2.017494 1.973527 -0.771488 -0.855611 -0.784721 -0.789405 -0.884466 -0.863421 -1.094195 -0.871014 -1.087613 -0.870144 -1.107137 -0.828010 -0.919757 -0.884428 -0.863396 -0.891197 -0.920622 -1.150019 -0.903807 -0.948914 -0.924864 -1.041167 -0.916055 1.754327 -0.946035 -0.903383 -0.935694 -0.899415 -0.942618 -0.921746 -1.164781 -0.927262 -0.39107866 -20.42044563 -28.38407372 34.96860282 -76.56752306 3.02063016 -0.58824326 -85.97863676 16.90087781 162.54615981 -292.2376 351.9122 97.0899 -383.0933 -178.0917 -404.4206 Jun19-2024 13:40:15 Nodes: 1 Procs: 1 Jun19-2024 13:40:18 Nodes: 1 Procs: 1 0 Jun19-2024 13:40:22 Nodes: 1 Procs: 1 Jun19-2024 13:40:24 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 13:40:27 Nodes: 1 Procs: 1 Jun19-2024 13:40:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 13:40:30 Nodes: 1 Procs: 1 Jun19-2024 13:40:32 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 13:40:36 Nodes: 1 Procs: 5 *** (NO TITLE) *** -12 -14.39452889 -14.68398363 -14.76114471 -14.82045310 -14.83346305 -14.84655837 -14.85141933 -14.85540201 -14.85732090 -14.85913310 -14.86000497 -14.86081187 -14.86127024 -14.86137040 -14.86147974 -14.86189298 -14.86195752 -14.86204277 -14.86187519 -14.86206939 -14.86209907 -14.86218263 GEOMETRY CONVERGED