ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 23:34:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.34 0.01 0.38 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 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 23:34:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.42 0.03 0.49 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 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 0 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 23:34:06 Hydrogen (TZP) kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 kimik2216 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.22 0.02 1.29 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 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 0 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Oct10-2020 23:34:06 Nodes: 1 Procs: 1 Oct10-2020 23:34:07 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-11-09 x86_64_linux_intel / intelmpi Oct10-2020 23:34:09 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2878.054800000003 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0.4361415E+07 3,-3 13 3 -3 10.709477 13.742089 8.202999 Rho 0.3188581E+03 3,-3 14 3 -3 9.033701 11.307205 8.507300 Rho 0.3191658E+03 3,-3 15 3 -3 11.528502 11.373707 9.675908 Rho 0.3189099E+03 3,-3 16 3 -3 10.262844 14.162130 11.015455 Rho 0.3191601E+03 3,-3 17 3 -3 13.832908 9.867830 9.442871 Rho 0.3191538E+03 3,-3 18 3 -3 12.975962 12.047735 7.675684 Rho 0.3188946E+03 3,-3 19 3 -3 8.358006 14.046429 6.471234 Rho 0.3191478E+03 3,-3 20 3 -3 10.426390 12.214842 6.200954 Rho 0.3189199E+03 3,-3 21 3 -3 12.327070 14.064930 5.918723 Rho 0.3190630E+03 3,-3 22 3 -3 11.052360 9.811825 7.362472 Rho 0.3191632E+03 3,-3 23 3 -3 13.536252 11.502483 11.633187 Rho 0.3191475E+03 3,-3 24 3 -3 10.335903 15.993145 6.509082 Rho 0.3188662E+03 3,-3 25 3 -3 9.252792 18.414860 7.568724 Rho 0.3191564E+03 3,-3 26 3 -3 11.914867 18.104716 6.576223 Rho 0.3188661E+03 3,-3 27 3 -3 9.854599 16.183005 9.170618 Rho 0.3190241E+03 3,-3 28 3 -3 12.336055 16.084893 8.467947 Rho 0.3189528E+03 3,-3 29 3 -3 11.514764 18.406557 9.239555 Rho 0.3190235E+03 3,-3 30 3 -3 12.084261 16.193015 10.906274 Rho 0.3189526E+03 3,-3 31 3 -3 13.509226 18.501849 11.155250 Rho 0.3191602E+03 3,-3 32 3 -3 16.408399 16.642404 7.820248 Rho 0.3188960E+03 3,-3 33 3 -3 18.003886 19.143038 7.656141 Rho 0.3191636E+03 3,-3 34 3 -3 15.564918 19.108608 6.414393 Rho 0.3189201E+03 3,-3 35 3 -3 14.349630 16.772117 5.998522 Rho 0.3190601E+03 3,-3 36 3 -3 16.911569 16.247668 5.009819 Rho 0.3191589E+03 3,-3 37 3 -3 13.211978 20.554134 6.663433 Rho 0.3191474E+03 3,-3 38 3 -3 14.126239 18.325285 8.347066 Rho 0.3188573E+03 3,-3 39 3 -3 18.691223 16.384623 9.635860 Rho 0.3191543E+03 3,-3 40 3 -3 16.575866 18.149911 9.883449 Rho 0.3189095E+03 3,-3 41 3 -3 14.749267 16.226264 10.031547 Rho 0.3190157E+03 3,-3 42 3 -3 16.972850 16.113681 11.766216 Rho 0.3191473E+03 3,-3 43 3 -3 15.965816 20.615883 8.797800 Rho 0.3191657E+03 3,-3 44 3 -3 13.553102 18.948357 4.458086 Rho 0.3191341E+03 3,-3 45 3 -3 16.787364 14.372246 9.576773 Rho 0.3188481E+03 3,-3 46 3 -3 17.887899 11.932626 8.491365 Rho 0.3191615E+03 3,-3 47 3 -3 15.208436 12.269915 9.512895 Rho 0.3188475E+03 3,-3 48 3 -3 17.192276 14.198788 6.934581 Rho 0.3190057E+03 3,-3 49 3 -3 14.704441 14.344418 7.690473 Rho 0.3185522E+03 3,-3 50 3 -3 15.564805 12.029092 6.868506 Rho 0.3190038E+03 3,-3 51 3 -3 15.028775 14.174046 5.276606 Rho 0.3189081E+03 3,-3 52 3 -3 13.580654 11.796605 4.868636 Rho 0.3191599E+03 3,-3 53 3 -3 12.837432 13.665730 9.964238 Rho 0.3190130E+03 3,-3 54 3 -3 10.057030 14.262046 4.319270 Rho 0.3191339E+03 3,-3 55 3 -3 14.178112 14.723988 8.433198 Rho 0.4473590E+00 3,-3 56 3 -1 9.158338 14.106398 6.302126 Rho 0.2188786E+00 |GRAD(Rho)| 0.3801140E-15 GRAD(Rho)x -0.2417771E-15 GRAD(Rho)y -0.1490439E-15 GRAD(Rho)z -0.2526191E-15 Laplacian 0.8289975E+00 (-1/4)Del**2(Rho)) -0.2072494E+00 Diamond 0.2619845E+01 Metallicity 0.6607931E+01 Ellipticity 0.6787146E-02 Gb(Abramov) 0.3664145E+00 Vb(Abramov) -0.5255797E+00 Hb(Abramov) -0.1591652E+00 Ex_ueg -0.9742181E-01 Ec_ueg -0.1299129E-01 Delta_ex -0.9776414E-01 Delta_ec 0.1876151E-01 Delta_et -0.2585902E+00 Pxc 0.7499012E+01 Qxc -0.5210889E+01 3,-1 57 3 +1 10.463164 15.275995 7.935008 Rho 0.1021482E-01 |GRAD(Rho)| 0.1698366E-16 GRAD(Rho)x -0.5894119E-17 GRAD(Rho)y -0.1590288E-16 GRAD(Rho)z 0.8957535E-18 Laplacian 0.4498232E-01 (-1/4)Del**2(Rho)) -0.1124558E-01 Diamond 0.1248047E-02 Metallicity 0.7366975E+00 Ellipticity -0.1195072E+01 Gb(Abramov) 0.8877818E-02 Vb(Abramov) -0.6510056E-02 Hb(Abramov) 0.2367761E-02 Ex_ueg -0.1636914E-02 Ec_ueg -0.3777990E-03 Delta_ex -0.2048916E-02 Delta_ec 0.4575211E-03 Delta_et -0.3401841E-02 Pxc 0.4332766E+01 Qxc -0.4478297E+01 3,+1 58 3 -1 10.420706 13.962766 7.197398 Rho 0.7083646E-01 |GRAD(Rho)| 0.3271192E-14 GRAD(Rho)x -0.2823683E-14 GRAD(Rho)y -0.3293264E-16 GRAD(Rho)z 0.1651191E-14 Laplacian 0.2709932E+00 (-1/4)Del**2(Rho)) -0.6774831E-01 Diamond 0.2163393E+00 Metallicity 0.3083776E+01 Ellipticity 0.2312232E-01 Gb(Abramov) 0.7998564E-01 Vb(Abramov) -0.9222298E-01 Hb(Abramov) -0.1223733E-01 Ex_ueg -0.2164683E-01 Ec_ueg -0.3595477E-02 Delta_ex -0.2426277E-01 Delta_ec 0.7847353E-02 Delta_et -0.9025043E-01 Pxc 0.6020572E+01 Qxc -0.3091842E+01 3,-1 59 3 -1 10.593013 15.493214 9.436206 Rho 0.7943188E-01 |GRAD(Rho)| 0.5810120E-15 GRAD(Rho)x -0.5481862E-15 GRAD(Rho)y 0.1923053E-15 GRAD(Rho)z -0.9249600E-17 Laplacian 0.3092240E+00 (-1/4)Del**2(Rho)) -0.7730599E-01 Diamond 0.2846939E+00 Metallicity 0.3270881E+01 Ellipticity 0.3347274E-02 Gb(Abramov) 0.9368045E-01 Vb(Abramov) -0.1100549E+00 Hb(Abramov) -0.1637445E-01 Ex_ueg -0.2521805E-01 Ec_ueg -0.4096998E-02 Delta_ex -0.2843558E-01 Delta_ec 0.8789206E-02 Delta_et -0.1037661E+00 Pxc 0.6155251E+01 Qxc -0.3235284E+01 3,-1 60 3 +1 12.237778 16.115422 9.692900 Rho 0.4252060E-01 |GRAD(Rho)| 0.2505994E-15 GRAD(Rho)x -0.9534661E-16 GRAD(Rho)y 0.1632031E-17 GRAD(Rho)z 0.2317465E-15 Laplacian 0.1640730E+00 (-1/4)Del**2(Rho)) -0.4101824E-01 Diamond 0.3670888E-01 Metallicity 0.2175580E+01 Ellipticity -0.3615679E+01 Gb(Abramov) 0.4221857E-01 Vb(Abramov) -0.4341890E-01 Hb(Abramov) -0.1200330E-02 Ex_ueg -0.1096102E-01 Ec_ueg -0.2005815E-02 Delta_ex -0.1136259E-01 Delta_ec 0.2027261E-02 Delta_et -0.2002992E-01 Pxc 0.5464621E+01 Qxc -0.5604894E+01 3,+1 61 3 +1 10.546504 12.981047 7.230639 Rho 0.3316487E-01 |GRAD(Rho)| 0.2237254E-15 GRAD(Rho)x -0.1306770E-15 GRAD(Rho)y -0.5882141E-16 GRAD(Rho)z 0.1718041E-15 Laplacian 0.1309680E+00 (-1/4)Del**2(Rho)) -0.3274201E-01 Diamond 0.2377023E-01 Metallicity 0.1801268E+01 Ellipticity -0.4264647E+01 Gb(Abramov) 0.3165753E-01 Vb(Abramov) -0.3057304E-01 Hb(Abramov) 0.1084481E-02 Ex_ueg -0.7869662E-02 Ec_ueg -0.1507981E-02 Delta_ex -0.8677126E-02 Delta_ec 0.2020836E-02 Delta_et -0.1908128E-01 Pxc 0.5218676E+01 Qxc -0.4293830E+01 3,+1 62 3 +1 11.559190 12.873473 9.290718 Rho 0.1085237E-01 |GRAD(Rho)| 0.1058831E-14 GRAD(Rho)x -0.6665626E-15 GRAD(Rho)y 0.4714714E-15 GRAD(Rho)z 0.6741905E-15 Laplacian 0.4535769E-01 (-1/4)Del**2(Rho)) -0.1133942E-01 Diamond 0.1430108E-02 Metallicity 0.8081705E+00 Ellipticity -0.1300386E+01 Gb(Abramov) 0.9086978E-02 Vb(Abramov) -0.6834536E-02 Hb(Abramov) 0.2252443E-02 Ex_ueg -0.1774534E-02 Ec_ueg -0.4068528E-03 Delta_ex -0.2120698E-02 Delta_ec 0.4981874E-03 Delta_et -0.3717532E-02 Pxc 0.4361612E+01 Qxc -0.4256828E+01 3,+1 63 3 +1 11.110374 16.010281 8.905432 Rho 0.3561399E-01 |GRAD(Rho)| 0.1898254E-15 GRAD(Rho)x 0.1855679E-15 GRAD(Rho)y 0.2226981E-16 GRAD(Rho)z -0.3320081E-16 Laplacian 0.1228574E+00 (-1/4)Del**2(Rho)) -0.3071434E-01 Diamond 0.1914258E-01 Metallicity 0.2162286E+01 Ellipticity -0.2517818E+01 Gb(Abramov) 0.3154509E-01 Vb(Abramov) -0.3237584E-01 Hb(Abramov) -0.8307509E-03 Ex_ueg -0.8653915E-02 Ec_ueg -0.1636656E-02 Delta_ex -0.7931092E-02 Delta_ec 0.1234754E-02 Delta_et -0.1178919E-01 Pxc 0.5287559E+01 Qxc -0.6423218E+01 3,+1 64 3 +1 12.941805 14.853998 7.391315 Rho 0.3996173E-02 |GRAD(Rho)| 0.1179706E-16 GRAD(Rho)x -0.7535205E-17 GRAD(Rho)y 0.9002266E-17 GRAD(Rho)z -0.1162129E-17 Laplacian 0.1604732E-01 (-1/4)Del**2(Rho)) -0.4011829E-02 Diamond 0.1984337E-03 Metallicity 0.4321334E+00 Ellipticity -0.1400809E+01 Gb(Abramov) 0.2963494E-02 Vb(Abramov) -0.1915158E-02 Hb(Abramov) 0.1048336E-02 Ex_ueg -0.4683574E-03 Ec_ueg -0.1039731E-03 Delta_ex -0.6663733E-03 Delta_ec 0.3298329E-03 Delta_et -0.1746694E-02 Pxc 0.4504600E+01 Qxc -0.2020336E+01 3,+1 65 3 +3 12.714726 14.187920 7.897193 Rho 0.2886188E-02 |GRAD(Rho)| 0.1312013E-15 GRAD(Rho)x -0.1501620E-16 GRAD(Rho)y -0.8555372E-16 GRAD(Rho)z -0.9833036E-16 Laplacian 0.1205156E-01 (-1/4)Del**2(Rho)) -0.3012891E-02 Diamond 0.5831522E-04 Metallicity 0.3345370E+00 Ellipticity -0.4586160E+00 Gb(Abramov) 0.2176581E-02 Vb(Abramov) -0.1340271E-02 Hb(Abramov) 0.8363097E-03 Ex_ueg -0.3034947E-03 Ec_ueg -0.5711276E-04 Delta_ex -0.3942806E-03 Delta_ec 0.1169615E-03 Delta_et -0.6470257E-03 Pxc 0.5313957E+01 Qxc -0.3371029E+01 3,+3 66 3 +1 13.589565 13.436820 8.507257 Rho 0.6685769E-02 |GRAD(Rho)| 0.1767445E-15 GRAD(Rho)x -0.3667614E-16 GRAD(Rho)y 0.1308682E-16 GRAD(Rho)z 0.1724013E-15 Laplacian 0.2826198E-01 (-1/4)Del**2(Rho)) -0.7065495E-02 Diamond 0.5067765E-03 Metallicity 0.5785348E+00 Ellipticity -0.1217664E+01 Gb(Abramov) 0.5391603E-02 Vb(Abramov) -0.3717710E-02 Hb(Abramov) 0.1673893E-02 Ex_ueg -0.9302226E-03 Ec_ueg -0.2201644E-03 Delta_ex -0.1193265E-02 Delta_ec 0.3637188E-03 Delta_et -0.2358341E-02 Pxc 0.4225127E+01 Qxc -0.3280734E+01 3,+1 67 3 +1 13.293126 14.789461 8.831484 Rho 0.8613922E-02 |GRAD(Rho)| 0.4490924E-16 GRAD(Rho)x -0.4282397E-16 GRAD(Rho)y 0.9397328E-17 GRAD(Rho)z 0.9728173E-17 Laplacian 0.3338261E-01 (-1/4)Del**2(Rho)) -0.8345653E-02 Diamond 0.8833264E-03 Metallicity 0.7471843E+00 Ellipticity -0.1433250E+01 Gb(Abramov) 0.6603059E-02 Vb(Abramov) -0.4860465E-02 Hb(Abramov) 0.1742594E-02 Ex_ueg -0.1304126E-02 Ec_ueg -0.3056031E-03 Delta_ex -0.1520274E-02 Delta_ec 0.4601093E-03 Delta_et -0.3153962E-02 Pxc 0.4267386E+01 Qxc -0.3304158E+01 3,+1 68 3 -1 13.664657 14.242603 8.960063 Rho 0.1240886E-01 |GRAD(Rho)| 0.5439369E-15 GRAD(Rho)x -0.2934935E-15 GRAD(Rho)y -0.4063217E-15 GRAD(Rho)z 0.2112619E-15 Laplacian 0.4877546E-01 (-1/4)Del**2(Rho)) -0.1219386E-01 Diamond 0.5282711E-02 Metallicity 0.9396469E+00 Ellipticity 0.2427523E+00 Gb(Abramov) 0.1003890E-01 Vb(Abramov) -0.7883930E-02 Hb(Abramov) 0.2154967E-02 Ex_ueg -0.2121749E-02 Ec_ueg -0.4784759E-03 Delta_ex -0.3313210E-02 Delta_ec 0.2229926E-02 Delta_et -0.1565330E-01 Pxc 0.4434390E+01 Qxc -0.1485794E+01 3,-1 69 3 +1 13.830797 15.526323 8.842776 Rho 0.8862779E-02 |GRAD(Rho)| 0.1099759E-16 GRAD(Rho)x 0.8461012E-17 GRAD(Rho)y 0.7023597E-17 GRAD(Rho)z -0.1651714E-18 Laplacian 0.3422493E-01 (-1/4)Del**2(Rho)) -0.8556233E-02 Diamond 0.9365298E-03 Metallicity 0.7642235E+00 Ellipticity -0.1440627E+01 Gb(Abramov) 0.6793968E-02 Vb(Abramov) -0.5031702E-02 Hb(Abramov) 0.1762265E-02 Ex_ueg -0.1354602E-02 Ec_ueg -0.3167528E-03 Delta_ex -0.1567827E-02 Delta_ec 0.4678957E-03 Delta_et -0.3233897E-02 Pxc 0.4276526E+01 Qxc -0.3350805E+01 3,+1 70 3 -1 13.388806 19.777009 6.469689 Rho 0.2188712E+00 |GRAD(Rho)| 0.3982491E-13 GRAD(Rho)x 0.2880072E-13 GRAD(Rho)y 0.2741524E-13 GRAD(Rho)z -0.2223997E-14 Laplacian 0.8292667E+00 (-1/4)Del**2(Rho)) -0.2073167E+00 Diamond 0.2620758E+01 Metallicity 0.6605411E+01 Ellipticity 0.6665547E-02 Gb(Abramov) 0.3664464E+00 Vb(Abramov) -0.5255761E+00 Hb(Abramov) -0.1591297E+00 Ex_ueg -0.9741737E-01 Ec_ueg -0.1299078E-01 Delta_ex -0.9779604E-01 Delta_ec 0.1876961E-01 Delta_et -0.2587085E+00 Pxc 0.7498964E+01 Qxc -0.5210339E+01 3,-1 71 3 +1 13.721973 15.904138 7.422207 Rho 0.3979691E-02 |GRAD(Rho)| 0.2447755E-14 GRAD(Rho)x 0.1522166E-14 GRAD(Rho)y 0.1185778E-14 GRAD(Rho)z -0.1506136E-14 Laplacian 0.1595482E-01 (-1/4)Del**2(Rho)) -0.3988706E-02 Diamond 0.1967923E-03 Metallicity 0.4316549E+00 Ellipticity -0.1403647E+01 Gb(Abramov) 0.2946095E-02 Vb(Abramov) -0.1903484E-02 Hb(Abramov) 0.1042611E-02 Ex_ueg -0.4657836E-03 Ec_ueg -0.1032725E-03 Delta_ex -0.6626988E-03 Delta_ec 0.3292734E-03 Delta_et -0.1740817E-02 Pxc 0.4510239E+01 Qxc -0.2012610E+01 3,+1 72 3 -1 13.140097 12.664024 9.907924 Rho 0.7311908E-01 |GRAD(Rho)| 0.5025746E-12 GRAD(Rho)x 0.2334514E-12 GRAD(Rho)y -0.4442208E-12 GRAD(Rho)z -0.2737932E-13 Laplacian 0.2977184E+00 (-1/4)Del**2(Rho)) -0.7442960E-01 Diamond 0.2538579E+00 Metallicity 0.2959321E+01 Ellipticity 0.2254683E-02 Gb(Abramov) 0.8632991E-01 Vb(Abramov) -0.9823022E-01 Hb(Abramov) -0.1190031E-01 Ex_ueg -0.2258184E-01 Ec_ueg -0.3727922E-02 Delta_ex -0.2702407E-01 Delta_ec 0.8883571E-02 Delta_et -0.1031399E+00 Pxc 0.6057489E+01 Qxc -0.3042028E+01 3,-1 73 3 -1 15.015848 16.294826 6.131986 Rho 0.2050573E+00 |GRAD(Rho)| 0.1161803E-13 GRAD(Rho)x 0.9117273E-14 GRAD(Rho)y -0.7068239E-14 GRAD(Rho)z 0.1376218E-14 Laplacian 0.8299359E+00 (-1/4)Del**2(Rho)) -0.2074840E+00 Diamond 0.2406831E+01 Metallicity 0.5920532E+01 Ellipticity 0.1918950E-01 Gb(Abramov) 0.3430586E+00 Vb(Abramov) -0.4786332E+00 Hb(Abramov) -0.1355746E+00 Ex_ueg -0.8930698E-01 Ec_ueg -0.1205717E-01 Delta_ex -0.9612559E-01 Delta_ec 0.1891777E-01 Delta_et -0.2588802E+00 Pxc 0.7406963E+01 Qxc -0.5081232E+01 3,-1 74 3 +3 14.272551 16.290908 7.951450 Rho 0.2904377E-02 |GRAD(Rho)| 0.1898312E-15 GRAD(Rho)x -0.1789152E-15 GRAD(Rho)y -0.6341227E-16 GRAD(Rho)z 0.2029491E-17 Laplacian 0.1211496E-01 (-1/4)Del**2(Rho)) -0.3028740E-02 Diamond 0.5906110E-04 Metallicity 0.3362892E+00 Ellipticity -0.4564674E+00 Gb(Abramov) 0.2188915E-02 Vb(Abramov) -0.1349091E-02 Hb(Abramov) 0.8398245E-03 Ex_ueg -0.3060477E-03 Ec_ueg -0.5787528E-04 Delta_ex -0.3968447E-03 Delta_ec 0.1173718E-03 Delta_et -0.6506065E-03 Pxc 0.5288056E+01 Qxc -0.3381092E+01 3,+3 75 3 +3 15.288157 17.236118 8.856125 Rho 0.8684128E-02 |GRAD(Rho)| 0.5592104E-16 GRAD(Rho)x -0.1053428E-16 GRAD(Rho)y -0.4261965E-16 GRAD(Rho)z 0.3463751E-16 Laplacian 0.3932289E-01 (-1/4)Del**2(Rho)) -0.9830722E-02 Diamond 0.7179999E-03 Metallicity 0.6429514E+00 Ellipticity -0.9010448E+00 Gb(Abramov) 0.7607261E-02 Vb(Abramov) -0.5383799E-02 Hb(Abramov) 0.2223461E-02 Ex_ueg -0.1318318E-02 Ec_ueg -0.3087458E-03 Delta_ex -0.1645905E-02 Delta_ec 0.2766834E-03 Delta_et -0.2119942E-02 Pxc 0.4269912E+01 Qxc -0.5948695E+01 3,+3 76 3 -1 14.097298 16.748373 9.929407 Rho 0.1950081E+00 |GRAD(Rho)| 0.3233219E-14 GRAD(Rho)x -0.2516487E-14 GRAD(Rho)y 0.1896432E-14 GRAD(Rho)z -0.7242538E-15 Laplacian 0.7898236E+00 (-1/4)Del**2(Rho)) -0.1974559E+00 Diamond 0.2166672E+01 Metallicity 0.5721426E+01 Ellipticity 0.1250320E-01 Gb(Abramov) 0.3199255E+00 Vb(Abramov) -0.4423950E+00 Hb(Abramov) -0.1224696E+00 Ex_ueg -0.8351965E-01 Ec_ueg -0.1138466E-01 Delta_ex -0.9038267E-01 Delta_ec 0.1838571E-01 Delta_et -0.2511096E+00 Pxc 0.7336160E+01 Qxc -0.4915919E+01 3,-1 77 3 +1 14.994081 17.392136 7.366911 Rho 0.8654034E-02 |GRAD(Rho)| 0.6086485E-16 GRAD(Rho)x -0.3286363E-16 GRAD(Rho)y 0.4095531E-16 GRAD(Rho)z 0.3077619E-16 Laplacian 0.3884508E-01 (-1/4)Del**2(Rho)) -0.9711269E-02 Diamond 0.8712845E-03 Metallicity 0.6471051E+00 Ellipticity -0.1119786E+01 Gb(Abramov) 0.7521548E-02 Vb(Abramov) -0.5331827E-02 Hb(Abramov) 0.2189721E-02 Ex_ueg -0.1312230E-02 Ec_ueg -0.3073984E-03 Delta_ex -0.1698245E-02 Delta_ec 0.4052687E-03 Delta_et -0.2889069E-02 Pxc 0.4268824E+01 Qxc -0.4190416E+01 3,+1 78 3 +1 15.220857 17.156677 8.773259 Rho 0.8700770E-02 |GRAD(Rho)| 0.4583959E-16 GRAD(Rho)x -0.5139220E-17 GRAD(Rho)y 0.3412455E-16 GRAD(Rho)z -0.3017236E-16 Laplacian 0.3910240E-01 (-1/4)Del**2(Rho)) -0.9775600E-02 Diamond 0.8461358E-03 Metallicity 0.6486432E+00 Ellipticity -0.1086187E+01 Gb(Abramov) 0.7573880E-02 Vb(Abramov) -0.5372159E-02 Hb(Abramov) 0.2201721E-02 Ex_ueg -0.1321687E-02 Ec_ueg -0.3094911E-03 Delta_ex -0.1695341E-02 Delta_ec 0.3783206E-03 Delta_et -0.2732723E-02 Pxc 0.4270517E+01 Qxc -0.4481227E+01 3,+1 79 3 +1 16.494235 17.451539 8.778718 Rho 0.3062209E-01 |GRAD(Rho)| 0.2802160E-15 GRAD(Rho)x -0.1580030E-16 GRAD(Rho)y 0.1389092E-15 GRAD(Rho)z 0.2428489E-15 Laplacian 0.1201338E+00 (-1/4)Del**2(Rho)) -0.3003346E-01 Diamond 0.2013694E-01 Metallicity 0.1719251E+01 Ellipticity -0.4455854E+01 Gb(Abramov) 0.2862815E-01 Vb(Abramov) -0.2722284E-01 Hb(Abramov) 0.1405310E-02 Ex_ueg -0.7075626E-02 Ec_ueg -0.1375740E-02 Delta_ex -0.7837272E-02 Delta_ec 0.1943735E-02 Delta_et -0.1802156E-01 Pxc 0.5143142E+01 Qxc -0.4032068E+01 3,+1 80 3 +1 15.162548 17.705699 9.441809 Rho 0.1093411E-01 |GRAD(Rho)| 0.1532525E-15 GRAD(Rho)x -0.7760819E-16 GRAD(Rho)y -0.9512721E-16 GRAD(Rho)z 0.9172847E-16 Laplacian 0.4574256E-01 (-1/4)Del**2(Rho)) -0.1143564E-01 Diamond 0.1456372E-02 Metallicity 0.8114567E+00 Ellipticity -0.1301544E+01 Gb(Abramov) 0.9170347E-02 Vb(Abramov) -0.6905055E-02 Hb(Abramov) 0.2265292E-02 Ex_ueg -0.1792379E-02 Ec_ueg -0.4105903E-03 Delta_ex -0.2142734E-02 Delta_ec 0.5019412E-03 Delta_et -0.3752550E-02 Pxc 0.4365371E+01 Qxc -0.4268893E+01 3,+1 81 3 +1 15.575302 17.585061 6.762496 Rho 0.1043138E-01 |GRAD(Rho)| 0.2446439E-16 GRAD(Rho)x 0.6367491E-17 GRAD(Rho)y 0.2255158E-16 GRAD(Rho)z -0.7027610E-17 Laplacian 0.4313798E-01 (-1/4)Del**2(Rho)) -0.1078450E-01 Diamond 0.1313956E-02 Metallicity 0.7955293E+00 Ellipticity -0.1314567E+01 Gb(Abramov) 0.8619561E-02 Vb(Abramov) -0.6454626E-02 Hb(Abramov) 0.2164935E-02 Ex_ueg -0.1683348E-02 Ec_ueg -0.3876489E-03 Delta_ex -0.2004643E-02 Delta_ec 0.4898107E-03 Delta_et -0.3605856E-02 Pxc 0.4342455E+01 Qxc -0.4092690E+01 3,+1 82 3 -1 16.349209 17.777210 7.977850 Rho 0.5001801E-01 |GRAD(Rho)| 0.3148718E-15 GRAD(Rho)x -0.3370463E-16 GRAD(Rho)y -0.3068377E-15 GRAD(Rho)z -0.6212013E-16 Laplacian 0.1836064E+00 (-1/4)Del**2(Rho)) -0.4590160E-01 Diamond 0.9093266E-01 Metallicity 0.2548411E+01 Ellipticity 0.2042602E-01 Gb(Abramov) 0.5009708E-01 Vb(Abramov) -0.5429257E-01 Hb(Abramov) -0.4195486E-02 Ex_ueg -0.1361090E-01 Ec_ueg -0.2415869E-02 Delta_ex -0.1502021E-01 Delta_ec 0.5302437E-02 Delta_et -0.5587046E-01 Pxc 0.5633956E+01 Qxc -0.2832699E+01 3,-1 83 3 +1 15.228338 15.639230 8.567238 Rho 0.6882670E-02 |GRAD(Rho)| 0.7998344E-17 GRAD(Rho)x -0.3401049E-17 GRAD(Rho)y -0.6431098E-17 GRAD(Rho)z 0.3323757E-17 Laplacian 0.2918452E-01 (-1/4)Del**2(Rho)) -0.7296131E-02 Diamond 0.5412696E-03 Metallicity 0.5880155E+00 Ellipticity -0.1221614E+01 Gb(Abramov) 0.5579127E-02 Vb(Abramov) -0.3862123E-02 Hb(Abramov) 0.1717004E-02 Ex_ueg -0.9669284E-03 Ec_ueg -0.2288102E-03 Delta_ex -0.1239352E-02 Delta_ec 0.3722150E-03 Delta_et -0.2434551E-02 Pxc 0.4225896E+01 Qxc -0.3329667E+01 3,+1 84 3 -1 16.450430 18.527547 9.076160 Rho 0.1506221E+00 |GRAD(Rho)| 0.3037853E-13 GRAD(Rho)x 0.7067135E-14 GRAD(Rho)y -0.2953300E-13 GRAD(Rho)z -0.8438888E-15 Laplacian 0.5923784E+00 (-1/4)Del**2(Rho)) -0.1480946E+00 Diamond 0.1220929E+01 Metallicity 0.4960153E+01 Ellipticity 0.5682284E-01 Gb(Abramov) 0.2211584E+00 Vb(Abramov) -0.2942221E+00 Hb(Abramov) -0.7306377E-01 Ex_ueg -0.5918840E-01 Ec_ueg -0.8483348E-02 Delta_ex -0.6382420E-01 Delta_ec 0.1527088E-01 Delta_et -0.2039972E+00 Pxc 0.6977009E+01 Qxc -0.4179470E+01 3,-1 85 3 -1 15.899984 19.046239 7.244865 Rho 0.1530887E+00 |GRAD(Rho)| 0.1139359E-13 GRAD(Rho)x 0.5208453E-14 GRAD(Rho)y -0.1012373E-13 GRAD(Rho)z 0.4425171E-15 Laplacian 0.5943477E+00 (-1/4)Del**2(Rho)) -0.1485869E+00 Diamond 0.1249856E+01 Metallicity 0.5079385E+01 Ellipticity 0.6612870E-01 Gb(Abramov) 0.2248463E+00 Vb(Abramov) -0.3011057E+00 Hb(Abramov) -0.7625939E-01 Ex_ueg -0.6048429E-01 Ec_ueg -0.8641527E-02 Delta_ex -0.6429923E-01 Delta_ec 0.1527293E-01 Delta_et -0.2045228E+00 Pxc 0.6999259E+01 Qxc -0.4210012E+01 3,-1 86 3 -1 15.181141 18.634387 8.278114 Rho 0.6170712E-01 |GRAD(Rho)| 0.3667552E-13 GRAD(Rho)x 0.3392860E-13 GRAD(Rho)y 0.1363897E-13 GRAD(Rho)z -0.2814654E-14 Laplacian 0.2296465E+00 (-1/4)Del**2(Rho)) -0.5741161E-01 Diamond 0.1505267E+00 Metallicity 0.2891427E+01 Ellipticity 0.7418126E-02 Gb(Abramov) 0.6594133E-01 Vb(Abramov) -0.7447104E-01 Hb(Abramov) -0.8529712E-02 Ex_ueg -0.1800938E-01 Ec_ueg -0.3071547E-02 Delta_ex -0.1979483E-01 Delta_ec 0.6573931E-02 Delta_et -0.7303944E-01 Pxc 0.5863294E+01 Qxc -0.3011110E+01 3,-1 87 3 -1 16.664554 16.421136 8.859958 Rho 0.6311130E-01 |GRAD(Rho)| 0.3035529E-15 GRAD(Rho)x -0.1539991E-15 GRAD(Rho)y -0.4597610E-16 GRAD(Rho)z -0.2575167E-15 Laplacian 0.2411999E+00 (-1/4)Del**2(Rho)) -0.6029997E-01 Diamond 0.1660240E+00 Metallicity 0.2858125E+01 Ellipticity 0.1158828E-01 Gb(Abramov) 0.6892413E-01 Vb(Abramov) -0.7754829E-01 Hb(Abramov) -0.8624156E-02 Ex_ueg -0.1855786E-01 Ec_ueg -0.3151501E-02 Delta_ex -0.2100671E-01 Delta_ec 0.7073234E-02 Delta_et -0.7911657E-01 Pxc 0.5888578E+01 Qxc -0.2969888E+01 3,-1 88 3 -1 16.963482 16.159823 10.946545 Rho 0.2182102E+00 |GRAD(Rho)| 0.2037991E-14 GRAD(Rho)x -0.1138497E-14 GRAD(Rho)y -0.1233822E-15 GRAD(Rho)z 0.1685826E-14 Laplacian 0.8245202E+00 (-1/4)Del**2(Rho)) -0.2061301E+00 Diamond 0.2594681E+01 Metallicity 0.6610035E+01 Ellipticity 0.1670696E-01 Gb(Abramov) 0.3645078E+00 Vb(Abramov) -0.5228856E+00 Hb(Abramov) -0.1583778E+00 Ex_ueg -0.9702535E-01 Ec_ueg -0.1294587E-01 Delta_ex -0.9715055E-01 Delta_ec 0.1866081E-01 Delta_et -0.2570962E+00 Pxc 0.7494695E+01 Qxc -0.5206126E+01 3,-1 89 3 +3 15.478311 15.366397 8.736676 Rho 0.6535422E-02 |GRAD(Rho)| 0.1956418E-15 GRAD(Rho)x -0.1318017E-15 GRAD(Rho)y -0.4455902E-16 GRAD(Rho)z 0.1375446E-15 Laplacian 0.2805571E-01 (-1/4)Del**2(Rho)) -0.7013928E-02 Diamond 0.3695715E-03 Metallicity 0.5611099E+00 Ellipticity -0.4249576E+00 Gb(Abramov) 0.5331882E-02 Vb(Abramov) -0.3649837E-02 Hb(Abramov) 0.1682045E-02 Ex_ueg -0.9024364E-03 Ec_ueg -0.2135751E-03 Delta_ex -0.1101024E-02 Delta_ec 0.2239578E-03 Delta_et -0.1574034E-02 Pxc 0.4225381E+01 Qxc -0.4916210E+01 3,+3 90 3 -1 17.890791 16.306022 9.797011 Rho 0.2188054E+00 |GRAD(Rho)| 0.9461906E-15 GRAD(Rho)x 0.3895538E-15 GRAD(Rho)y 0.1829727E-15 GRAD(Rho)z -0.8426419E-15 Laplacian 0.8351714E+00 (-1/4)Del**2(Rho)) -0.2087929E+00 Diamond 0.2632796E+01 Metallicity 0.6555425E+01 Ellipticity 0.8555599E-02 Gb(Abramov) 0.3673162E+00 Vb(Abramov) -0.5258396E+00 Hb(Abramov) -0.1585234E+00 Ex_ueg -0.9737835E-01 Ec_ueg -0.1298631E-01 Delta_ex -0.9845061E-01 Delta_ec 0.1884393E-01 Delta_et -0.2594889E+00 Pxc 0.7498539E+01 Qxc -0.5224526E+01 3,-1 91 3 -1 10.484805 16.632793 7.201512 Rho 0.1138542E+00 |GRAD(Rho)| 0.2582440E-12 GRAD(Rho)x -0.2602342E-13 GRAD(Rho)y -0.1539343E-12 GRAD(Rho)z -0.2057108E-12 Laplacian 0.4712571E+00 (-1/4)Del**2(Rho)) -0.1178143E+00 Diamond 0.6986026E+00 Metallicity 0.3910842E+01 Ellipticity 0.8418490E-02 Gb(Abramov) 0.1553350E+00 Vb(Abramov) -0.1928558E+00 Hb(Abramov) -0.3752074E-01 Ex_ueg -0.4075527E-01 Ec_ueg -0.6171674E-02 Delta_ex -0.4753781E-01 Delta_ec 0.1310467E-01 Delta_et -0.1673718E+00 Pxc 0.6603600E+01 Qxc -0.3627548E+01 3,-1 92 3 -1 10.229069 16.725920 8.607798 Rho 0.1788495E+00 |GRAD(Rho)| 0.7069772E-14 GRAD(Rho)x 0.1631182E-15 GRAD(Rho)y 0.6803098E-14 GRAD(Rho)z 0.1916490E-14 Laplacian 0.6739970E+00 (-1/4)Del**2(Rho)) -0.1684993E+00 Diamond 0.1699793E+01 Metallicity 0.5804546E+01 Ellipticity 0.6539463E-01 Gb(Abramov) 0.2753431E+00 Vb(Abramov) -0.3821870E+00 Hb(Abramov) -0.1068439E+00 Ex_ueg -0.7442214E-01 Ec_ueg -0.1031522E-01 Delta_ex -0.7571679E-01 Delta_ec 0.1652764E-01 Delta_et -0.2253609E+00 Pxc 0.7214787E+01 Qxc -0.4581223E+01 3,-1 93 3 +1 13.411757 16.796963 7.391370 Rho 0.4863326E-02 |GRAD(Rho)| 0.1777203E-16 GRAD(Rho)x 0.1111598E-17 GRAD(Rho)y 0.7475648E-17 GRAD(Rho)z 0.1608490E-16 Laplacian 0.2011019E-01 (-1/4)Del**2(Rho)) -0.5027548E-02 Diamond 0.3486470E-03 Metallicity 0.4783575E+00 Ellipticity -0.1387055E+01 Gb(Abramov) 0.3752526E-02 Vb(Abramov) -0.2477504E-02 Hb(Abramov) 0.1275022E-02 Ex_ueg -0.6085500E-03 Ec_ueg -0.1410359E-03 Delta_ex -0.8951272E-03 Delta_ec 0.4557655E-03 Delta_et -0.2526639E-02 Pxc 0.4314858E+01 Qxc -0.1964008E+01 3,+1 94 3 -1 9.894644 17.929582 7.752236 Rho 0.2141501E+00 |GRAD(Rho)| 0.1270184E-11 GRAD(Rho)x 0.9863532E-12 GRAD(Rho)y -0.7392490E-12 GRAD(Rho)z 0.3065694E-12 Laplacian 0.8507063E+00 (-1/4)Del**2(Rho)) -0.2126766E+00 Diamond 0.2592061E+01 Metallicity 0.6209126E+01 Ellipticity 0.3388246E-02 Gb(Abramov) 0.3618737E+00 Vb(Abramov) -0.5110708E+00 Hb(Abramov) -0.1491971E+00 Ex_ueg -0.9462574E-01 Ec_ueg -0.1267051E-01 Delta_ex -0.9959476E-01 Delta_ec 0.1907708E-01 Delta_et -0.2614700E+00 Pxc 0.7468185E+01 Qxc -0.5220651E+01 3,-1 95 3 -1 10.719687 12.641312 8.089400 Rho 0.6030090E-01 |GRAD(Rho)| 0.4690811E-15 GRAD(Rho)x 0.4900434E-16 GRAD(Rho)y -0.4664695E-15 GRAD(Rho)z -0.6470696E-17 Laplacian 0.2239735E+00 (-1/4)Del**2(Rho)) -0.5599337E-01 Diamond 0.1423183E+00 Metallicity 0.2852920E+01 Ellipticity 0.4208489E-02 Gb(Abramov) 0.6395302E-01 Vb(Abramov) -0.7191266E-01 Hb(Abramov) -0.7959645E-02 Ex_ueg -0.1746426E-01 Ec_ueg -0.2991718E-02 Delta_ex -0.1919309E-01 Delta_ec 0.6415256E-02 Delta_et -0.7086979E-01 Pxc 0.5837536E+01 Qxc -0.2991788E+01 3,-1 96 3 +3 11.779931 13.095217 7.125533 Rho 0.8689861E-02 |GRAD(Rho)| 0.6092128E-14 GRAD(Rho)x -0.5062845E-14 GRAD(Rho)y -0.2965718E-14 GRAD(Rho)z -0.1638948E-14 Laplacian 0.3933453E-01 (-1/4)Del**2(Rho)) -0.9833633E-02 Diamond 0.7004534E-03 Metallicity 0.6434685E+00 Ellipticity -0.8548457E+00 Gb(Abramov) 0.7610361E-02 Vb(Abramov) -0.5387089E-02 Hb(Abramov) 0.2223272E-02 Ex_ueg -0.1319478E-02 Ec_ueg -0.3090026E-03 Delta_ex -0.1638511E-02 Delta_ec 0.2621569E-03 Delta_et -0.2032560E-02 Pxc 0.4270120E+01 Qxc -0.6250117E+01 3,+3 97 3 -1 11.754503 15.507280 10.346969 Rho 0.1282358E+00 |GRAD(Rho)| 0.1592823E-13 GRAD(Rho)x -0.5521726E-14 GRAD(Rho)y -0.1258427E-13 GRAD(Rho)z -0.8053284E-14 Laplacian 0.4697292E+00 (-1/4)Del**2(Rho)) -0.1174323E+00 Diamond 0.7956113E+00 Metallicity 0.4783890E+01 Ellipticity 0.6888537E-01 Gb(Abramov) 0.1719187E+00 Vb(Abramov) -0.2264051E+00 Hb(Abramov) -0.5448642E-01 Ex_ueg -0.4775998E-01 Ec_ueg -0.7065217E-02 Delta_ex -0.4864446E-01 Delta_ec 0.1253673E-01 Delta_et -0.1632425E+00 Pxc 0.6759874E+01 Qxc -0.3880155E+01 3,-1 98 3 -1 11.262531 14.113884 6.011773 Rho 0.6555376E-01 |GRAD(Rho)| 0.6086939E-15 GRAD(Rho)x -0.5809799E-15 GRAD(Rho)y 0.1786215E-15 GRAD(Rho)z 0.3263364E-16 Laplacian 0.2665253E+00 (-1/4)Del**2(Rho)) -0.6663132E-01 Diamond 0.1985499E+00 Metallicity 0.2755524E+01 Ellipticity 0.4389997E-02 Gb(Abramov) 0.7502157E-01 Vb(Abramov) -0.8341183E-01 Hb(Abramov) -0.8390255E-02 Ex_ueg -0.1952159E-01 Ec_ueg -0.3291136E-02 Delta_ex -0.2360140E-01 Delta_ec 0.8101660E-02 Delta_et -0.9164077E-01 Pxc 0.5931566E+01 Qxc -0.2913156E+01 3,-1 99 3 +1 12.124792 13.002314 8.651437 Rho 0.8673689E-02 |GRAD(Rho)| 0.3635096E-13 GRAD(Rho)x 0.1407101E-13 GRAD(Rho)y 0.2762329E-13 GRAD(Rho)z -0.1898296E-13 Laplacian 0.3898294E-01 (-1/4)Del**2(Rho)) -0.9745734E-02 Diamond 0.8407632E-03 Metallicity 0.6472594E+00 Ellipticity -0.1085667E+01 Gb(Abramov) 0.7548493E-02 Vb(Abramov) -0.5351251E-02 Hb(Abramov) 0.2197242E-02 Ex_ueg -0.1316205E-02 Ec_ueg -0.3082784E-03 Delta_ex -0.1689111E-02 Delta_ec 0.3778084E-03 Delta_et -0.2726326E-02 Pxc 0.4269534E+01 Qxc -0.4470815E+01 3,+1 100 3 -1 12.155213 14.147112 9.857336 Rho 0.1947216E+00 |GRAD(Rho)| 0.2523689E-14 GRAD(Rho)x -0.1910581E-14 GRAD(Rho)y 0.1596515E-14 GRAD(Rho)z -0.4120985E-15 Laplacian 0.7885515E+00 (-1/4)Del**2(Rho)) -0.1971379E+00 Diamond 0.2159523E+01 Metallicity 0.5716631E+01 Ellipticity 0.1306534E-01 Gb(Abramov) 0.3192527E+00 Vb(Abramov) -0.4413674E+00 Hb(Abramov) -0.1221148E+00 Ex_ueg -0.8335610E-01 Ec_ueg -0.1136557E-01 Delta_ex -0.9020439E-01 Delta_ec 0.1836546E-01 Delta_et -0.2508093E+00 Pxc 0.7334091E+01 Qxc -0.4911633E+01 3,-1 101 3 +1 11.995943 14.894820 7.336799 Rho 0.4907949E-02 |GRAD(Rho)| 0.5630343E-17 GRAD(Rho)x -0.1840311E-18 GRAD(Rho)y 0.1146984E-17 GRAD(Rho)z 0.5509204E-17 Laplacian 0.2032548E-01 (-1/4)Del**2(Rho)) -0.5081369E-02 Diamond 0.3572191E-03 Metallicity 0.4805507E+00 Ellipticity -0.1405221E+01 Gb(Abramov) 0.3794555E-02 Vb(Abramov) -0.2507741E-02 Hb(Abramov) 0.1286814E-02 Ex_ueg -0.6160063E-03 Ec_ueg -0.1429536E-03 Delta_ex -0.9069301E-03 Delta_ec 0.4614549E-03 Delta_et -0.2564483E-02 Pxc 0.4309133E+01 Qxc -0.1965371E+01 3,+1 102 3 -1 11.872784 15.448280 9.078370 Rho 0.1028233E+00 |GRAD(Rho)| 0.3786165E-10 GRAD(Rho)x 0.2037018E-10 GRAD(Rho)y 0.2287460E-10 GRAD(Rho)z -0.2225564E-10 Laplacian 0.3767494E+00 (-1/4)Del**2(Rho)) -0.9418734E-01 Diamond 0.4765662E+00 Metallicity 0.4127749E+01 Ellipticity 0.2521032E-01 Gb(Abramov) 0.1275885E+00 Vb(Abramov) -0.1609897E+00 Hb(Abramov) -0.3340118E-01 Ex_ueg -0.3557737E-01 Ec_ueg -0.5496394E-02 Delta_ex -0.3682252E-01 Delta_ec 0.1020545E-01 Delta_et -0.1271672E+00 Pxc 0.6472857E+01 Qxc -0.3608123E+01 3,-1 103 3 +1 11.876759 13.213859 7.237290 Rho 0.8736579E-02 |GRAD(Rho)| 0.9222759E-15 GRAD(Rho)x -0.7442959E-15 GRAD(Rho)y -0.4765614E-15 GRAD(Rho)z -0.2636393E-15 Laplacian 0.3924369E-01 (-1/4)Del**2(Rho)) -0.9810924E-02 Diamond 0.8905299E-03 Metallicity 0.6507472E+00 Ellipticity -0.1121650E+01 Gb(Abramov) 0.7604688E-02 Vb(Abramov) -0.5398451E-02 Hb(Abramov) 0.2206236E-02 Ex_ueg -0.1328945E-02 Ec_ueg -0.3110952E-03 Delta_ex -0.1719462E-02 Delta_ec 0.4084737E-03 Delta_et -0.2919442E-02 Pxc 0.4271827E+01 Qxc -0.4209481E+01 3,+1 104 3 +3 12.064715 12.912464 8.728101 Rho 0.8657377E-02 |GRAD(Rho)| 0.2395880E-16 GRAD(Rho)x 0.1904118E-16 GRAD(Rho)y -0.4172815E-17 GRAD(Rho)z 0.1393001E-16 Laplacian 0.3919546E-01 (-1/4)Del**2(Rho)) -0.9798864E-02 Diamond 0.7144637E-03 Metallicity 0.6417334E+00 Ellipticity -0.9015808E+00 Gb(Abramov) 0.7580619E-02 Vb(Abramov) -0.5362374E-02 Hb(Abramov) 0.2218245E-02 Ex_ueg -0.1312906E-02 Ec_ueg -0.3075480E-03 Delta_ex -0.1639984E-02 Delta_ec 0.2772424E-03 Delta_et -0.2120575E-02 Pxc 0.4268944E+01 Qxc -0.5915343E+01 3,+3 105 3 -1 13.994075 17.772420 6.119924 Rho 0.6591512E-01 |GRAD(Rho)| 0.1126466E-10 GRAD(Rho)x -0.8832894E-11 GRAD(Rho)y 0.4859916E-11 GRAD(Rho)z 0.5025313E-11 Laplacian 0.2682231E+00 (-1/4)Del**2(Rho)) -0.6705578E-01 Diamond 0.2012478E+00 Metallicity 0.2763283E+01 Ellipticity 0.4012447E-02 Gb(Abramov) 0.7558621E-01 Vb(Abramov) -0.8411663E-01 Hb(Abramov) -0.8530421E-02 Ex_ueg -0.1966520E-01 Ec_ueg -0.3311854E-02 Delta_ex -0.2378320E-01 Delta_ec 0.8149440E-02 Delta_et -0.9230643E-01 Pxc 0.5937823E+01 Qxc -0.2918385E+01 3,-1 106 3 +1 15.913264 14.446513 7.229148 Rho 0.2900398E-01 |GRAD(Rho)| 0.1719463E-15 GRAD(Rho)x -0.1640651E-15 GRAD(Rho)y 0.2070085E-16 GRAD(Rho)z 0.4711334E-16 Laplacian 0.1085956E+00 (-1/4)Del**2(Rho)) -0.2714889E-01 Diamond 0.1476220E-01 Metallicity 0.1737389E+01 Ellipticity -0.2571079E+01 Gb(Abramov) 0.2596062E-01 Vb(Abramov) -0.2477236E-01 Hb(Abramov) 0.1188266E-02 Ex_ueg -0.6581555E-02 Ec_ueg -0.1292347E-02 Delta_ex -0.6791250E-02 Delta_ec 0.1418733E-02 Delta_et -0.1303097E-01 Pxc 0.5092717E+01 Qxc -0.4786841E+01 3,+1 107 3 -1 12.376789 17.882838 9.507926 Rho 0.7981574E-01 |GRAD(Rho)| 0.3111299E-15 GRAD(Rho)x 0.2064965E-15 GRAD(Rho)y 0.2116261E-15 GRAD(Rho)z 0.9682688E-16 Laplacian 0.3107981E+00 (-1/4)Del**2(Rho)) -0.7769952E-01 Diamond 0.2878904E+00 Metallicity 0.3280568E+01 Ellipticity 0.3374332E-02 Gb(Abramov) 0.9428278E-01 Vb(Abramov) -0.1108660E+00 Hb(Abramov) -0.1658326E-01 Ex_ueg -0.2538067E-01 Ec_ueg -0.4119568E-02 Delta_ex -0.2861333E-01 Delta_ec 0.8827989E-02 Delta_et -0.1043372E+00 Pxc 0.6161004E+01 Qxc -0.3241206E+01 3,-1 108 3 -1 12.280573 15.024801 7.230297 Rho 0.5059987E-02 |GRAD(Rho)| 0.1174847E-16 GRAD(Rho)x -0.4055170E-18 GRAD(Rho)y 0.3841850E-17 GRAD(Rho)z 0.1109515E-16 Laplacian 0.2008276E-01 (-1/4)Del**2(Rho)) -0.5020690E-02 Diamond 0.6086106E-03 Metallicity 0.5117275E+00 Ellipticity 0.3881138E+00 Gb(Abramov) 0.3775330E-02 Vb(Abramov) -0.2529971E-02 Hb(Abramov) 0.1245359E-02 Ex_ueg -0.6415801E-03 Ec_ueg -0.1494952E-03 Delta_ex -0.1122083E-02 Delta_ec 0.8489359E-03 Delta_et -0.4539542E-02 Pxc 0.4291644E+01 Qxc -0.1321752E+01 3,-1 109 3 +3 15.083228 17.520867 7.264706 Rho 0.8609924E-02 |GRAD(Rho)| 0.5658584E-14 GRAD(Rho)x 0.1352497E-14 GRAD(Rho)y 0.5350740E-14 GRAD(Rho)z -0.1248962E-14 Laplacian 0.3893512E-01 (-1/4)Del**2(Rho)) -0.9733781E-02 Diamond 0.6884029E-03 Metallicity 0.6401334E+00 Ellipticity -0.8576906E+00 Gb(Abramov) 0.7527674E-02 Vb(Abramov) -0.5321566E-02 Hb(Abramov) 0.2206107E-02 Ex_ueg -0.1303319E-02 Ec_ueg -0.3054242E-03 Delta_ex -0.1619431E-02 Delta_ec 0.2625785E-03 Delta_et -0.2026951E-02 Pxc 0.4267243E+01 Qxc -0.6167419E+01 3,+3 110 3 +1 14.811519 14.281173 6.494638 Rho 0.3583422E-01 |GRAD(Rho)| 0.1526657E-15 GRAD(Rho)x -0.1426922E-16 GRAD(Rho)y -0.2268953E-16 GRAD(Rho)z 0.1502944E-15 Laplacian 0.1562381E+00 (-1/4)Del**2(Rho)) -0.3905952E-01 Diamond 0.3563796E-01 Metallicity 0.1717867E+01 Ellipticity -0.8648156E+01 Gb(Abramov) 0.3722286E-01 Vb(Abramov) -0.3538619E-01 Hb(Abramov) 0.1836666E-02 Ex_ueg -0.8725338E-02 Ec_ueg -0.1648286E-02 Delta_ex -0.1084883E-01 Delta_ec 0.2900083E-02 Delta_et -0.2789432E-01 Pxc 0.5293581E+01 Qxc -0.3740870E+01 3,+1 111 3 -1 15.377725 14.895189 5.762828 Rho 0.1300707E+00 |GRAD(Rho)| 0.6313328E-15 GRAD(Rho)x -0.4073822E-15 GRAD(Rho)y 0.5510458E-16 GRAD(Rho)z -0.4791496E-15 Laplacian 0.4870313E+00 (-1/4)Del**2(Rho)) -0.1217578E+00 Diamond 0.8382805E+00 Metallicity 0.4724497E+01 Ellipticity 0.5431151E-01 Gb(Abramov) 0.1770460E+00 Vb(Abramov) -0.2323341E+00 Hb(Abramov) -0.5528814E-01 Ex_ueg -0.4867334E-01 Ec_ueg -0.7180239E-02 Delta_ex -0.5059853E-01 Delta_ec 0.1293672E-01 Delta_et -0.1688150E+00 Pxc 0.6778792E+01 Qxc -0.3911234E+01 3,-1 112 3 -1 15.217520 15.025149 7.020510 Rho 0.6862195E-01 |GRAD(Rho)| 0.1722649E-15 GRAD(Rho)x 0.6224760E-16 GRAD(Rho)y 0.7806256E-16 GRAD(Rho)z -0.1403805E-15 Laplacian 0.2648491E+00 (-1/4)Del**2(Rho)) -0.6621226E-01 Diamond 0.2058100E+00 Metallicity 0.2992631E+01 Ellipticity 0.4680738E-01 Gb(Abramov) 0.7716632E-01 Vb(Abramov) -0.8812038E-01 Hb(Abramov) -0.1095406E-01 Ex_ueg -0.2074925E-01 Ec_ueg -0.3467519E-02 Delta_ex -0.2361207E-01 Delta_ec 0.7838664E-02 Delta_et -0.8956038E-01 Pxc 0.5983890E+01 Qxc -0.3012257E+01 3,-1 113 3 +1 15.338698 15.073541 9.016962 Rho 0.6954677E-02 |GRAD(Rho)| 0.1002474E-13 GRAD(Rho)x 0.7756694E-14 GRAD(Rho)y 0.1654384E-14 GRAD(Rho)z 0.6131245E-14 Laplacian 0.3050190E-01 (-1/4)Del**2(Rho)) -0.7625474E-02 Diamond 0.6020672E-03 Metallicity 0.5724636E+00 Ellipticity -0.1237100E+01 Gb(Abramov) 0.5811201E-02 Vb(Abramov) -0.3996927E-02 Hb(Abramov) 0.1814274E-02 Ex_ueg -0.9804399E-03 Ec_ueg -0.2319766E-03 Delta_ex -0.1315626E-02 Delta_ec 0.4192323E-03 Delta_et -0.2720727E-02 Pxc 0.4226460E+01 Qxc -0.3138178E+01 3,+1 114 3 -1 16.748550 17.234711 9.915956 Rho 0.1309301E+00 |GRAD(Rho)| 0.2772537E-13 GRAD(Rho)x 0.6252343E-14 GRAD(Rho)y -0.2671152E-13 GRAD(Rho)z 0.4012378E-14 Laplacian 0.5085934E+00 (-1/4)Del**2(Rho)) -0.1271483E+00 Diamond 0.8923555E+00 Metallicity 0.4574126E+01 Ellipticity 0.2967770E-01 Gb(Abramov) 0.1816977E+00 Vb(Abramov) -0.2362470E+00 Hb(Abramov) -0.5454931E-01 Ex_ueg -0.4910257E-01 Ec_ueg -0.7234183E-02 Delta_ex -0.5304196E-01 Delta_ec 0.1370169E-01 Delta_et -0.1793882E+00 Pxc 0.6787577E+01 Qxc -0.3871198E+01 3,-1 115 3 -1 15.799516 16.225762 10.007385 Rho 0.7229100E-01 |GRAD(Rho)| 0.9724441E-15 GRAD(Rho)x 0.9499373E-15 GRAD(Rho)y -0.2024622E-15 GRAD(Rho)z -0.4770437E-16 Laplacian 0.2937550E+00 (-1/4)Del**2(Rho)) -0.7343876E-01 Diamond 0.2467798E+00 Metallicity 0.2942851E+01 Ellipticity 0.1871501E-02 Gb(Abramov) 0.8497906E-01 Vb(Abramov) -0.9651935E-01 Hb(Abramov) -0.1154030E-01 Ex_ueg -0.2224150E-01 Ec_ueg -0.3679810E-02 Delta_ex -0.2658993E-01 Delta_ec 0.8773163E-02 Delta_et -0.1015800E+00 Pxc 0.6044198E+01 Qxc -0.3030826E+01 3,-1 116 3 +1 16.669897 15.125762 8.165310 Rho 0.9978406E-02 |GRAD(Rho)| 0.9593065E-17 GRAD(Rho)x 0.8198008E-17 GRAD(Rho)y -0.3555421E-17 GRAD(Rho)z 0.3489776E-17 Laplacian 0.4446641E-01 (-1/4)Del**2(Rho)) -0.1111660E-01 Diamond 0.1253271E-02 Metallicity 0.7167202E+00 Ellipticity -0.1221455E+01 Gb(Abramov) 0.8738984E-02 Vb(Abramov) -0.6361366E-02 Hb(Abramov) 0.2377619E-02 Ex_ueg -0.1586597E-02 Ec_ueg -0.3670684E-03 Delta_ex -0.2034341E-02 Delta_ec 0.4909251E-03 Delta_et -0.3589500E-02 Pxc 0.4322347E+01 Qxc -0.4143892E+01 3,+1 117 3 -1 16.644374 13.727380 8.902946 Rho 0.1199651E+00 |GRAD(Rho)| 0.2204939E-15 GRAD(Rho)x -0.2073604E-15 GRAD(Rho)y 0.1978669E-16 GRAD(Rho)z -0.7230273E-16 Laplacian 0.4952738E+00 (-1/4)Del**2(Rho)) -0.1238185E+00 Diamond 0.7773161E+00 Metallicity 0.4060002E+01 Ellipticity 0.1575632E-01 Gb(Abramov) 0.1663295E+00 Vb(Abramov) -0.2088405E+00 Hb(Abramov) -0.4251104E-01 Ex_ueg -0.4369769E-01 Ec_ueg -0.6549598E-02 Delta_ex -0.5052030E-01 Delta_ec 0.1349962E-01 Delta_et -0.1738965E+00 Pxc 0.6671813E+01 Qxc -0.3742349E+01 3,-1 118 3 -1 13.483873 15.239018 8.375772 Rho 0.1249398E-01 |GRAD(Rho)| 0.9054299E-16 GRAD(Rho)x 0.7091360E-16 GRAD(Rho)y -0.5593806E-16 GRAD(Rho)z -0.6342583E-17 Laplacian 0.4878300E-01 (-1/4)Del**2(Rho)) -0.1219575E-01 Diamond 0.5242435E-02 Metallicity 0.9502682E+00 Ellipticity 0.1285507E+00 Gb(Abramov) 0.1006204E-01 Vb(Abramov) -0.7928328E-02 Hb(Abramov) 0.2133711E-02 Ex_ueg -0.2141179E-02 Ec_ueg -0.4824208E-03 Delta_ex -0.3293449E-02 Delta_ec 0.2186255E-02 Delta_et -0.1538827E-01 Pxc 0.4438405E+01 Qxc -0.1506434E+01 3,-1 119 3 -1 17.224509 19.072553 7.893999 Rho 0.2206215E+00 |GRAD(Rho)| 0.2122495E-13 GRAD(Rho)x -0.2022536E-13 GRAD(Rho)y -0.1346159E-14 GRAD(Rho)z 0.6294525E-14 Laplacian 0.8370338E+00 (-1/4)Del**2(Rho)) -0.2092584E+00 Diamond 0.2670120E+01 Metallicity 0.6631572E+01 Ellipticity 0.1179318E-01 Gb(Abramov) 0.3707910E+00 Vb(Abramov) -0.5323236E+00 Hb(Abramov) -0.1615326E+00 Ex_ueg -0.9845749E-01 Ec_ueg -0.1310983E-01 Delta_ex -0.9891171E-01 Delta_ec 0.1889550E-01 Delta_et -0.2605320E+00 Pxc 0.7510205E+01 Qxc -0.5234670E+01 3,-1 120 3 -1 11.526084 16.696814 8.228333 Rho 0.8253157E-01 |GRAD(Rho)| 0.1101975E-14 GRAD(Rho)x -0.8912006E-15 GRAD(Rho)y 0.5852777E-15 GRAD(Rho)z -0.2784960E-15 Laplacian 0.3138004E+00 (-1/4)Del**2(Rho)) -0.7845011E-01 Diamond 0.2989435E+00 Metallicity 0.3435525E+01 Ellipticity 0.1215431E-01 Gb(Abramov) 0.9721963E-01 Vb(Abramov) -0.1159891E+00 Hb(Abramov) -0.1876951E-01 Ex_ueg -0.2653863E-01 Ec_ueg -0.4279652E-02 Delta_ex -0.2902821E-01 Delta_ec 0.8702953E-02 Delta_et -0.1034814E+00 Pxc 0.6201119E+01 Qxc -0.3335444E+01 3,-1 121 3 +3 13.895430 13.277083 8.667826 Rho 0.6407541E-02 |GRAD(Rho)| 0.1908352E-13 GRAD(Rho)x 0.4612728E-14 GRAD(Rho)y 0.1478083E-13 GRAD(Rho)z -0.1115484E-13 Laplacian 0.2745278E-01 (-1/4)Del**2(Rho)) -0.6863196E-02 Diamond 0.3574737E-03 Metallicity 0.5548544E+00 Ellipticity -0.4533364E+00 Gb(Abramov) 0.5210143E-02 Vb(Abramov) -0.3557090E-02 Hb(Abramov) 0.1653053E-02 Ex_ueg -0.8789690E-03 Ec_ueg -0.2079790E-03 Delta_ex -0.1075333E-02 Delta_ec 0.2256766E-03 Delta_et -0.1569216E-02 Pxc 0.4226240E+01 Qxc -0.4764926E+01 3,+3 122 3 -1 13.861569 18.576210 7.337778 Rho 0.6966895E-01 |GRAD(Rho)| 0.1745740E-13 GRAD(Rho)x -0.9301349E-14 GRAD(Rho)y -0.1413330E-13 GRAD(Rho)z 0.4300622E-14 Laplacian 0.2659649E+00 (-1/4)Del**2(Rho)) -0.6649122E-01 Diamond 0.2076583E+00 Metallicity 0.3056241E+01 Ellipticity 0.2143990E-01 Gb(Abramov) 0.7819635E-01 Vb(Abramov) -0.8990147E-01 Hb(Abramov) -0.1170512E-01 Ex_ueg -0.2117243E-01 Ec_ueg -0.3527949E-02 Delta_ex -0.2371242E-01 Delta_ec 0.7706682E-02 Delta_et -0.8827788E-01 Pxc 0.6001342E+01 Qxc -0.3076865E+01 3,-1 123 3 -1 14.634023 18.987565 6.348916 Rho 0.1261874E+00 |GRAD(Rho)| 0.1468179E-13 GRAD(Rho)x 0.2732474E-14 GRAD(Rho)y -0.1354293E-13 GRAD(Rho)z -0.4967669E-14 Laplacian 0.4875274E+00 (-1/4)Del**2(Rho)) -0.1218819E+00 Diamond 0.8175607E+00 Metallicity 0.4487183E+01 Ellipticity 0.3056761E-01 Gb(Abramov) 0.1724056E+00 Vb(Abramov) -0.2229294E+00 Hb(Abramov) -0.5052376E-01 Ex_ueg -0.4674547E-01 Ec_ueg -0.6937077E-02 Delta_ex -0.5038883E-01 Delta_ec 0.1323219E-01 Delta_et -0.1721326E+00 Pxc 0.6738496E+01 Qxc -0.3808048E+01 3,-1 124 3 +1 14.819840 18.735257 7.397328 Rho 0.3321145E-01 |GRAD(Rho)| 0.5793669E-13 GRAD(Rho)x -0.2038775E-13 GRAD(Rho)y 0.1290378E-13 GRAD(Rho)z 0.5267345E-13 Laplacian 0.1312587E+00 (-1/4)Del**2(Rho)) -0.3281466E-01 Diamond 0.2382320E-01 Metallicity 0.1801489E+01 Ellipticity -0.4207449E+01 Gb(Abramov) 0.3172898E-01 Vb(Abramov) -0.3064330E-01 Hb(Abramov) 0.1085680E-02 Ex_ueg -0.7884403E-02 Ec_ueg -0.1510416E-02 Delta_ex -0.8696318E-02 Delta_ec 0.2019207E-02 Delta_et -0.1907181E-01 Pxc 0.5220020E+01 Qxc -0.4306798E+01 3,+1 125 3 +1 14.137059 13.486158 8.970943 Rho 0.6847833E-02 |GRAD(Rho)| 0.3246617E-16 GRAD(Rho)x 0.1157767E-16 GRAD(Rho)y 0.2111484E-16 GRAD(Rho)z -0.2177552E-16 Laplacian 0.3002929E-01 (-1/4)Del**2(Rho)) -0.7507322E-02 Diamond 0.5885330E-03 Metallicity 0.5666611E+00 Ellipticity -0.1243874E+01 Gb(Abramov) 0.5713899E-02 Vb(Abramov) -0.3920477E-02 Hb(Abramov) 0.1793423E-02 Ex_ueg -0.9604084E-03 Ec_ueg -0.2272792E-03 Delta_ex -0.1295224E-02 Delta_ec 0.4216056E-03 Delta_et -0.2717349E-02 Pxc 0.4225676E+01 Qxc -0.3072123E+01 3,+1 126 3 +1 14.958539 13.175201 7.190110 Rho 0.2897195E-01 |GRAD(Rho)| 0.4450383E-13 GRAD(Rho)x 0.1017812E-13 GRAD(Rho)y 0.4016938E-13 GRAD(Rho)z -0.1623017E-13 Laplacian 0.1087234E+00 (-1/4)Del**2(Rho)) -0.2718086E-01 Diamond 0.1478647E-01 Metallicity 0.1732153E+01 Ellipticity -0.2570116E+01 Gb(Abramov) 0.2596747E-01 Vb(Abramov) -0.2475409E-01 Hb(Abramov) 0.1213384E-02 Ex_ueg -0.6571867E-02 Ec_ueg -0.1290702E-02 Delta_ex -0.6799784E-02 Delta_ec 0.1425105E-02 Delta_et -0.1308573E-01 Pxc 0.5091699E+01 Qxc -0.4771427E+01 3,+1 127 3 -1 16.505002 14.916758 6.627555 Rho 0.8019219E-01 |GRAD(Rho)| 0.8986281E-15 GRAD(Rho)x 0.5916271E-15 GRAD(Rho)y -0.6457203E-15 GRAD(Rho)z 0.2013829E-15 Laplacian 0.3136029E+00 (-1/4)Del**2(Rho)) -0.7840073E-01 Diamond 0.2940476E+00 Metallicity 0.3276824E+01 Ellipticity 0.1333090E-01 Gb(Abramov) 0.9508473E-01 Vb(Abramov) -0.1117687E+00 Hb(Abramov) -0.1668399E-01 Ex_ueg -0.2554041E-01 Ec_ueg -0.4141715E-02 Delta_ex -0.2894608E-01 Delta_ec 0.8976709E-02 Delta_et -0.1062705E+00 Pxc 0.6166625E+01 Qxc -0.3224576E+01 3,-1 128 3 -1 16.858514 15.234359 9.751567 Rho 0.1586014E+00 |GRAD(Rho)| 0.3394318E-13 GRAD(Rho)x 0.2860585E-13 GRAD(Rho)y 0.1820232E-13 GRAD(Rho)z -0.1587651E-14 Laplacian 0.6544612E+00 (-1/4)Del**2(Rho)) -0.1636153E+00 Diamond 0.1424217E+01 Metallicity 0.4892990E+01 Ellipticity 0.2326379E-01 Gb(Abramov) 0.2425049E+00 Vb(Abramov) -0.3213944E+00 Hb(Abramov) -0.7888956E-01 Ex_ueg -0.6340562E-01 Ec_ueg -0.8996382E-02 Delta_ex -0.7131287E-01 Delta_ec 0.1647547E-01 Delta_et -0.2212203E+00 Pxc 0.7047902E+01 Qxc -0.4328426E+01 3,-1 129 3 -1 9.804245 11.375726 8.246438 Rho 0.2221843E+00 |GRAD(Rho)| 0.1565872E-14 GRAD(Rho)x 0.1248242E-14 GRAD(Rho)y -0.4424019E-15 GRAD(Rho)z -0.8355404E-15 Laplacian 0.8344344E+00 (-1/4)Del**2(Rho)) -0.2086086E+00 Diamond 0.2689589E+01 Metallicity 0.6730951E+01 Ellipticity 0.1066157E-01 Gb(Abramov) 0.3730948E+00 Vb(Abramov) -0.5375810E+00 Hb(Abramov) -0.1644862E+00 Ex_ueg -0.9938850E-01 Ec_ueg -0.1321626E-01 Delta_ex -0.9881477E-01 Delta_ec 0.1885215E-01 Delta_et -0.2602470E+00 Pxc 0.7520166E+01 Qxc -0.5241565E+01 3,-1 130 3 +1 12.233104 11.696812 8.625000 Rho 0.3079829E-01 |GRAD(Rho)| 0.1459511E-15 GRAD(Rho)x -0.4809303E-16 GRAD(Rho)y -0.4420426E-16 GRAD(Rho)z 0.1305173E-15 Laplacian 0.1215131E+00 (-1/4)Del**2(Rho)) -0.3037828E-01 Diamond 0.2069512E-01 Metallicity 0.1716068E+01 Ellipticity -0.4652554E+01 Gb(Abramov) 0.2894072E-01 Vb(Abramov) -0.2750315E-01 Hb(Abramov) 0.1437563E-02 Ex_ueg -0.7129962E-02 Ec_ueg -0.1384857E-02 Delta_ex -0.7953226E-02 Delta_ec 0.1990287E-02 Delta_et -0.1847593E-01 Pxc 0.5148518E+01 Qxc -0.3996020E+01 3,+1 131 3 -1 11.117567 17.916018 8.644593 Rho 0.1785707E+00 |GRAD(Rho)| 0.1187024E-08 GRAD(Rho)x 0.5679028E-09 GRAD(Rho)y 0.6570292E-09 GRAD(Rho)z 0.8092129E-09 Laplacian 0.6729627E+00 (-1/4)Del**2(Rho)) -0.1682407E+00 Diamond 0.1694054E+01 Metallicity 0.5798366E+01 Ellipticity 0.6502037E-01 Gb(Abramov) 0.2747473E+00 Vb(Abramov) -0.3812539E+00 Hb(Abramov) -0.1065066E+00 Ex_ueg -0.7426745E-01 Ec_ueg -0.1029690E-01 Delta_ex -0.7557137E-01 Delta_ec 0.1650967E-01 Delta_et -0.2250792E+00 Pxc 0.7212605E+01 Qxc -0.4577401E+01 3,-1 132 3 -1 12.451428 11.470688 9.743317 Rho 0.1318646E+00 |GRAD(Rho)| 0.6104886E-12 GRAD(Rho)x -0.6045826E-12 GRAD(Rho)y -0.5357951E-13 GRAD(Rho)z -0.6561578E-13 Laplacian 0.5114477E+00 (-1/4)Del**2(Rho)) -0.1278619E+00 Diamond 0.9054184E+00 Metallicity 0.4602835E+01 Ellipticity 0.2934911E-01 Gb(Abramov) 0.1833292E+00 Vb(Abramov) -0.2387964E+00 Hb(Abramov) -0.5546725E-01 Ex_ueg -0.4957041E-01 Ec_ueg -0.7292900E-02 Delta_ex -0.5343495E-01 Delta_ec 0.1376289E-01 Delta_et -0.1804165E+00 Pxc 0.6797078E+01 Qxc -0.3882539E+01 3,-1 133 3 -1 11.877662 11.774983 7.788329 Rho 0.5224270E-01 |GRAD(Rho)| 0.3214792E-14 GRAD(Rho)x -0.2399295E-14 GRAD(Rho)y -0.2138100E-14 GRAD(Rho)z 0.8247465E-16 Laplacian 0.1925723E+00 (-1/4)Del**2(Rho)) -0.4814308E-01 Diamond 0.1012909E+00 Metallicity 0.2612534E+01 Ellipticity 0.1383933E-01 Gb(Abramov) 0.5305796E-01 Vb(Abramov) -0.5797284E-01 Hb(Abramov) -0.4914880E-02 Ex_ueg -0.1442401E-01 Ec_ueg -0.2539212E-02 Delta_ex -0.1593279E-01 Delta_ec 0.5566930E-02 Delta_et -0.5932155E-01 Pxc 0.5680504E+01 Qxc -0.2862042E+01 3,-1 134 3 -1 13.375676 16.491582 7.274417 Rho 0.5009642E-02 |GRAD(Rho)| 0.1395548E-14 GRAD(Rho)x -0.8762302E-15 GRAD(Rho)y 0.9842182E-15 GRAD(Rho)z -0.4594430E-15 Laplacian 0.1984415E-01 (-1/4)Del**2(Rho)) -0.4961036E-02 Diamond 0.5918189E-03 Metallicity 0.5093214E+00 Ellipticity 0.3983568E+00 Gb(Abramov) 0.3728485E-02 Vb(Abramov) -0.2495933E-02 Hb(Abramov) 0.1232552E-02 Ex_ueg -0.6330830E-03 Ec_ueg -0.1473278E-03 Delta_ex -0.1105412E-02 Delta_ec 0.8362948E-03 Delta_et -0.4458953E-02 Pxc 0.4297106E+01 Qxc -0.1321797E+01 3,-1 135 3 -1 12.794362 16.683127 9.114442 Rho 0.1043392E+00 |GRAD(Rho)| 0.8700594E-15 GRAD(Rho)x -0.5736107E-15 GRAD(Rho)y -0.3904043E-15 GRAD(Rho)z -0.5249368E-15 Laplacian 0.3824511E+00 (-1/4)Del**2(Rho)) -0.9561277E-01 Diamond 0.4929691E+00 Metallicity 0.4166615E+01 Ellipticity 0.2517415E-01 Gb(Abramov) 0.1301388E+00 Vb(Abramov) -0.1646648E+00 Hb(Abramov) -0.3452601E-01 Ex_ueg -0.3627844E-01 Ec_ueg -0.5588649E-02 Delta_ex -0.3751807E-01 Delta_ec 0.1034253E-01 Delta_et -0.1292573E+00 Pxc 0.6491451E+01 Qxc -0.3627551E+01 3,-1 136 3 -1 13.652803 12.339819 5.476106 Rho 0.2210203E+00 |GRAD(Rho)| 0.3801417E-14 GRAD(Rho)x 0.2713880E-14 GRAD(Rho)y -0.4818194E-15 GRAD(Rho)z 0.2617915E-14 Laplacian 0.8419017E+00 (-1/4)Del**2(Rho)) -0.2104754E+00 Diamond 0.2686505E+01 Metallicity 0.6613104E+01 Ellipticity 0.9778361E-02 Gb(Abramov) 0.3722996E+00 Vb(Abramov) -0.5341237E+00 Hb(Abramov) -0.1618242E+00 Ex_ueg -0.9869486E-01 Ec_ueg -0.1313698E-01 Delta_ex -0.9950385E-01 Delta_ec 0.1894271E-01 Delta_et -0.2609981E+00 Pxc 0.7512754E+01 Qxc -0.5252883E+01 3,-1 137 3 -1 13.335533 12.486647 6.986748 Rho 0.1556181E+00 |GRAD(Rho)| 0.3906003E-15 GRAD(Rho)x -0.3656201E-15 GRAD(Rho)y 0.1131229E-15 GRAD(Rho)z -0.7806256E-16 Laplacian 0.6076982E+00 (-1/4)Del**2(Rho)) -0.1519246E+00 Diamond 0.1286031E+01 Metallicity 0.5105350E+01 Ellipticity 0.6265838E-01 Gb(Abramov) 0.2305544E+00 Vb(Abramov) -0.3091842E+00 Hb(Abramov) -0.7862981E-01 Ex_ueg -0.6182042E-01 Ec_ueg -0.8804119E-02 Delta_ex -0.6584486E-01 Delta_ec 0.1525956E-01 Delta_et -0.2041084E+00 Pxc 0.7021761E+01 Qxc -0.4314991E+01 3,-1 138 3 -1 12.968308 13.554184 6.048939 Rho 0.2053622E+00 |GRAD(Rho)| 0.2294951E-14 GRAD(Rho)x 0.1917574E-14 GRAD(Rho)y -0.1246290E-14 GRAD(Rho)z 0.1909687E-15 Laplacian 0.8310242E+00 (-1/4)Del**2(Rho)) -0.2077561E+00 Diamond 0.2414209E+01 Metallicity 0.5927436E+01 Ellipticity 0.1919254E-01 Gb(Abramov) 0.3437475E+00 Vb(Abramov) -0.4797389E+00 Hb(Abramov) -0.1359914E+00 Ex_ueg -0.8948405E-01 Ec_ueg -0.1207766E-01 Delta_ex -0.9628783E-01 Delta_ec 0.1893372E-01 Delta_et -0.2591209E+00 Pxc 0.7409058E+01 Qxc -0.5085521E+01 3,-1 139 3 +1 12.595589 18.130110 8.023469 Rho 0.1021451E-01 |GRAD(Rho)| 0.7173003E-16 GRAD(Rho)x -0.7147436E-16 GRAD(Rho)y 0.1563953E-17 GRAD(Rho)z -0.5845345E-17 Laplacian 0.4496025E-01 (-1/4)Del**2(Rho)) -0.1124006E-01 Diamond 0.1247557E-02 Metallicity 0.7370213E+00 Ellipticity -0.1195425E+01 Gb(Abramov) 0.8874069E-02 Vb(Abramov) -0.6508076E-02 Hb(Abramov) 0.2365993E-02 Ex_ueg -0.1636847E-02 Ec_ueg -0.3777847E-03 Delta_ex -0.2047956E-02 Delta_ec 0.4574087E-03 Delta_et -0.3400862E-02 Pxc 0.4332752E+01 Qxc -0.4477301E+01 3,+1 140 3 -1 13.573325 18.909442 5.280796 Rho 0.2152839E+00 |GRAD(Rho)| 0.5365026E-15 GRAD(Rho)x -0.2271285E-15 GRAD(Rho)y 0.2266660E-17 GRAD(Rho)z 0.4860478E-15 Laplacian 0.8177318E+00 (-1/4)Del**2(Rho)) -0.2044329E+00 Diamond 0.2528998E+01 Metallicity 0.6516609E+01 Ellipticity 0.1726448E-01 Gb(Abramov) 0.3583236E+00 Vb(Abramov) -0.5122142E+00 Hb(Abramov) -0.1538906E+00 Ex_ueg -0.9529437E-01 Ec_ueg -0.1274732E-01 Delta_ex -0.9599766E-01 Delta_ec 0.1854664E-01 Delta_et -0.2551988E+00 Pxc 0.7475639E+01 Qxc -0.5176013E+01 3,-1 141 3 -1 14.422085 13.615912 5.722939 Rho 0.1299096E+00 |GRAD(Rho)| 0.7579687E-15 GRAD(Rho)x -0.5831381E-15 GRAD(Rho)y -0.4015885E-15 GRAD(Rho)z 0.2705423E-15 Laplacian 0.4862554E+00 (-1/4)Del**2(Rho)) -0.1215638E+00 Diamond 0.8356898E+00 Metallicity 0.4722270E+01 Ellipticity 0.5395964E-01 Gb(Abramov) 0.1767188E+00 Vb(Abramov) -0.2318737E+00 Hb(Abramov) -0.5515493E-01 Ex_ueg -0.4859296E-01 Ec_ueg -0.7170129E-02 Delta_ex -0.5050275E-01 Delta_ec 0.1291971E-01 Delta_et -0.1685582E+00 Pxc 0.6777139E+01 Qxc -0.3908970E+01 3,-1 142 3 -1 14.215506 13.684655 6.978731 Rho 0.6776933E-01 |GRAD(Rho)| 0.3198476E-15 GRAD(Rho)x -0.2326613E-15 GRAD(Rho)y -0.1456897E-15 GRAD(Rho)z -0.1641516E-15 Laplacian 0.2617778E+00 (-1/4)Del**2(Rho)) -0.6544445E-01 Diamond 0.2001113E+00 Metallicity 0.2965302E+01 Ellipticity 0.4661957E-01 Gb(Abramov) 0.7597340E-01 Vb(Abramov) -0.8650235E-01 Hb(Abramov) -0.1052895E-01 Ex_ueg -0.2040622E-01 Ec_ueg -0.3418397E-02 Delta_ex -0.2326657E-01 Delta_ec 0.7754526E-02 Delta_et -0.8832995E-01 Pxc 0.5969529E+01 Qxc -0.3000386E+01 3,-1 143 3 +1 14.491901 12.216862 8.078366 Rho 0.9925668E-02 |GRAD(Rho)| 0.1527590E-16 GRAD(Rho)x -0.1176010E-16 GRAD(Rho)y -0.6655985E-17 GRAD(Rho)z 0.7123971E-17 Laplacian 0.4425587E-01 (-1/4)Del**2(Rho)) -0.1106397E-01 Diamond 0.1244172E-02 Metallicity 0.7137977E+00 Ellipticity -0.1223453E+01 Gb(Abramov) 0.8692218E-02 Vb(Abramov) -0.6320468E-02 Hb(Abramov) 0.2371750E-02 Ex_ueg -0.1575426E-02 Ec_ueg -0.3646778E-03 Delta_ex -0.2024039E-02 Delta_ec 0.4924977E-03 Delta_et -0.3592662E-02 Pxc 0.4320049E+01 Qxc -0.4109744E+01 3,+1 144 3 -1 12.701518 18.454305 6.437049 Rho 0.1666000E+00 |GRAD(Rho)| 0.1265556E-14 GRAD(Rho)x -0.1248540E-14 GRAD(Rho)y -0.2024341E-15 GRAD(Rho)z -0.4243974E-16 Laplacian 0.6852366E+00 (-1/4)Del**2(Rho)) -0.1713091E+00 Diamond 0.1579304E+01 Metallicity 0.5072604E+01 Ellipticity 0.2408367E-01 Gb(Abramov) 0.2590367E+00 Vb(Abramov) -0.3467642E+00 Hb(Abramov) -0.8772752E-01 Ex_ueg -0.6770463E-01 Ec_ueg -0.9514487E-02 Delta_ex -0.7556042E-01 Delta_ec 0.1699512E-01 Delta_et -0.2295125E+00 Pxc 0.7115951E+01 Qxc -0.4446007E+01 3,-1 145 3 -1 16.125396 19.868034 8.512517 Rho 0.2224046E+00 |GRAD(Rho)| 0.1066232E-14 GRAD(Rho)x -0.4513940E-15 GRAD(Rho)y -0.5762535E-15 GRAD(Rho)z -0.7752588E-15 Laplacian 0.8331852E+00 (-1/4)Del**2(Rho)) -0.2082963E+00 Diamond 0.2689966E+01 Metallicity 0.6752191E+01 Ellipticity 0.1055639E-01 Gb(Abramov) 0.3732736E+00 Vb(Abramov) -0.5382509E+00 Hb(Abramov) -0.1649773E+00 Ex_ueg -0.9951996E-01 Ec_ueg -0.1323128E-01 Delta_ex -0.9869923E-01 Delta_ec 0.1883120E-01 Delta_et -0.2600222E+00 Pxc 0.7521565E+01 Qxc -0.5241261E+01 3,-1 146 3 -1 16.857396 13.643170 7.505701 Rho 0.1796946E+00 |GRAD(Rho)| 0.2496000E-14 GRAD(Rho)x 0.6115849E-15 GRAD(Rho)y 0.1567323E-14 GRAD(Rho)z -0.1843767E-14 Laplacian 0.6845301E+00 (-1/4)Del**2(Rho)) -0.1711325E+00 Diamond 0.1728914E+01 Metallicity 0.5760306E+01 Ellipticity 0.5707739E-01 Gb(Abramov) 0.2783843E+00 Vb(Abramov) -0.3856361E+00 Hb(Abramov) -0.1072518E+00 Ex_ueg -0.7489135E-01 Ec_ueg -0.1037078E-01 Delta_ex -0.7693441E-01 Delta_ec 0.1666399E-01 Delta_et -0.2270389E+00 Pxc 0.7221380E+01 Qxc -0.4616806E+01 3,-1 147 3 -1 10.276105 13.143589 6.170959 Rho 0.1259706E+00 |GRAD(Rho)| 0.1253780E-14 GRAD(Rho)x -0.2440336E-15 GRAD(Rho)y 0.1229512E-14 GRAD(Rho)z -0.2666544E-16 Laplacian 0.4871914E+00 (-1/4)Del**2(Rho)) -0.1217978E+00 Diamond 0.8153546E+00 Metallicity 0.4477430E+01 Ellipticity 0.3085317E-01 Gb(Abramov) 0.1720888E+00 Vb(Abramov) -0.2223797E+00 Hb(Abramov) -0.5029095E-01 Ex_ueg -0.4663843E-01 Ec_ueg -0.6923534E-02 Delta_ex -0.5033398E-01 Delta_ec 0.1322938E-01 Delta_et -0.1720469E+00 Pxc 0.6736218E+01 Qxc -0.3804711E+01 3,-1 148 3 -1 10.076372 14.222471 5.142111 Rho 0.2151342E+00 |GRAD(Rho)| 0.6474854E-15 GRAD(Rho)x -0.1353643E-15 GRAD(Rho)y 0.4386614E-16 GRAD(Rho)z 0.6316562E-15 Laplacian 0.8180065E+00 (-1/4)Del**2(Rho)) -0.2045016E+00 Diamond 0.2527516E+01 Metallicity 0.6506872E+01 Ellipticity 0.1737689E-01 Gb(Abramov) 0.3581121E+00 Vb(Abramov) -0.5117226E+00 Hb(Abramov) -0.1536105E+00 Ex_ueg -0.9520603E-01 Ec_ueg -0.1273718E-01 Delta_ex -0.9601134E-01 Delta_ec 0.1855415E-01 Delta_et -0.2552823E+00 Pxc 0.7474657E+01 Qxc -0.5174656E+01 3,-1 149 3 -1 11.024939 14.211826 8.920541 Rho 0.1411684E+00 |GRAD(Rho)| 0.4122061E-13 GRAD(Rho)x 0.1369026E-13 GRAD(Rho)y 0.1731284E-13 GRAD(Rho)z 0.3481351E-13 Laplacian 0.5592334E+00 (-1/4)Del**2(Rho)) -0.1398083E+00 Diamond 0.1053945E+01 Metallicity 0.4716098E+01 Ellipticity 0.5718615E-01 Gb(Abramov) 0.2030972E+00 Vb(Abramov) -0.2663861E+00 Hb(Abramov) -0.6328885E-01 Ex_ueg -0.5428776E-01 Ec_ueg -0.7880586E-02 Delta_ex -0.5917427E-01 Delta_ec 0.1440889E-01 Delta_et -0.1901523E+00 Pxc 0.6888797E+01 Qxc -0.4106789E+01 3,-1 150 3 -1 10.229823 15.144358 6.336670 Rho 0.1662120E+00 |GRAD(Rho)| 0.5305701E-15 GRAD(Rho)x -0.2773525E-15 GRAD(Rho)y -0.4238688E-15 GRAD(Rho)z -0.1578463E-15 Laplacian 0.6833837E+00 (-1/4)Del**2(Rho)) -0.1708459E+00 Diamond 0.1570822E+01 Metallicity 0.5066630E+01 Ellipticity 0.2438126E-01 Gb(Abramov) 0.2581661E+00 Vb(Abramov) -0.3454863E+00 Hb(Abramov) -0.8732020E-01 Ex_ueg -0.6749448E-01 Ec_ueg -0.9489268E-02 Delta_ex -0.7531404E-01 Delta_ec 0.1696227E-01 Delta_et -0.2290119E+00 Pxc 0.7112717E+01 Qxc -0.4440093E+01 3,-1 151 3 +1 12.040619 17.262420 8.940403 Rho 0.3577255E-01 |GRAD(Rho)| 0.2934446E-15 GRAD(Rho)x 0.1236496E-15 GRAD(Rho)y -0.2602584E-15 GRAD(Rho)z -0.5555278E-16 Laplacian 0.1233383E+00 (-1/4)Del**2(Rho)) -0.3083458E-01 Diamond 0.1935078E-01 Metallicity 0.2169860E+01 Ellipticity -0.2535306E+01 Gb(Abramov) 0.3170751E-01 Vb(Abramov) -0.3258043E-01 Hb(Abramov) -0.8729270E-03 Ex_ueg -0.8705325E-02 Ec_ueg -0.1645029E-02 Delta_ex -0.7973296E-02 Delta_ec 0.1241229E-02 Delta_et -0.1185931E-01 Pxc 0.5291898E+01 Qxc -0.6423711E+01 3,+1 152 3 -1 11.322416 17.753107 7.237136 Rho 0.1136383E+00 |GRAD(Rho)| 0.3764755E-12 GRAD(Rho)x -0.2495463E-12 GRAD(Rho)y -0.1312034E-12 GRAD(Rho)z 0.2494917E-12 Laplacian 0.4706342E+00 (-1/4)Del**2(Rho)) -0.1176585E+00 Diamond 0.6962004E+00 Metallicity 0.3903651E+01 Ellipticity 0.8352785E-02 Gb(Abramov) 0.1549887E+00 Vb(Abramov) -0.1923188E+00 Hb(Abramov) -0.3733014E-01 Ex_ueg -0.4065227E-01 Ec_ueg -0.6158373E-02 Delta_ex -0.4745540E-01 Delta_ec 0.1309589E-01 Delta_et -0.1672049E+00 Pxc 0.6601138E+01 Qxc -0.3623685E+01 3,-1 153 3 +1 11.875336 12.627730 6.602850 Rho 0.1055790E-01 |GRAD(Rho)| 0.1025302E-16 GRAD(Rho)x -0.8385248E-17 GRAD(Rho)y -0.5803900E-17 GRAD(Rho)z 0.1061518E-17 Laplacian 0.4365002E-01 (-1/4)Del**2(Rho)) -0.1091251E-01 Diamond 0.1346594E-02 Metallicity 0.8021543E+00 Ellipticity -0.1315465E+01 Gb(Abramov) 0.8733923E-02 Vb(Abramov) -0.6555340E-02 Hb(Abramov) 0.2178583E-02 Ex_ueg -0.1710626E-02 Ec_ueg -0.3934127E-03 Delta_ex -0.2033198E-02 Delta_ec 0.4924868E-03 Delta_et -0.3638855E-02 Pxc 0.4348172E+01 Qxc -0.4128430E+01 3,+1 154 3 -1 15.565168 13.692197 7.941023 Rho 0.6130047E-01 |GRAD(Rho)| 0.7577587E-15 GRAD(Rho)x -0.6511515E-15 GRAD(Rho)y 0.3375223E-15 GRAD(Rho)z -0.1904698E-15 Laplacian 0.2394385E+00 (-1/4)Del**2(Rho)) -0.5985963E-01 Diamond 0.1593459E+00 Metallicity 0.2742788E+01 Ellipticity 0.4213483E-01 Gb(Abramov) 0.6727013E-01 Vb(Abramov) -0.7468063E-01 Hb(Abramov) -0.7410501E-02 Ex_ueg -0.1785131E-01 Ec_ueg -0.3048437E-02 Delta_ex -0.2072879E-01 Delta_ec 0.7077811E-02 Delta_et -0.7861986E-01 Pxc 0.5855891E+01 Qxc -0.2928701E+01 3,-1 155 3 -1 14.466204 15.318668 8.989190 Rho 0.1310123E-01 |GRAD(Rho)| 0.1085151E-15 GRAD(Rho)x -0.5012826E-16 GRAD(Rho)y -0.8940094E-16 GRAD(Rho)z 0.3563933E-16 Laplacian 0.5109718E-01 (-1/4)Del**2(Rho)) -0.1277429E-01 Diamond 0.5958406E-02 Metallicity 0.9819051E+00 Ellipticity 0.2247861E+00 Gb(Abramov) 0.1060672E-01 Vb(Abramov) -0.8439146E-02 Hb(Abramov) 0.2167574E-02 Ex_ueg -0.2281047E-02 Ec_ueg -0.5106411E-03 Delta_ex -0.3508625E-02 Delta_ec 0.2337820E-02 Delta_et -0.1668506E-01 Pxc 0.4467026E+01 Qxc -0.1500811E+01 3,-1 156 3 -1 10.893921 10.569528 7.626212 Rho 0.2207589E+00 |GRAD(Rho)| 0.1363310E-14 GRAD(Rho)x -0.8033667E-15 GRAD(Rho)y 0.1078456E-14 GRAD(Rho)z 0.2239420E-15 Laplacian 0.8365051E+00 (-1/4)Del**2(Rho)) -0.2091263E+00 Diamond 0.2671123E+01 Metallicity 0.6642653E+01 Ellipticity 0.1183540E-01 Gb(Abramov) 0.3709431E+00 Vb(Abramov) -0.5327598E+00 Hb(Abramov) -0.1618168E+00 Ex_ueg -0.9853926E-01 Ec_ueg -0.1311918E-01 Delta_ex -0.9886928E-01 Delta_ec 0.1888754E-01 Delta_et -0.2604603E+00 Pxc 0.7511084E+01 Qxc -0.5234630E+01 3,-1 157 3 -1 10.560637 11.875724 7.020822 Rho 0.1533383E+00 |GRAD(Rho)| 0.7207823E-15 GRAD(Rho)x 0.1839993E-15 GRAD(Rho)y -0.5201595E-15 GRAD(Rho)z 0.4637946E-15 Laplacian 0.5954632E+00 (-1/4)Del**2(Rho)) -0.1488658E+00 Diamond 0.1254821E+01 Metallicity 0.5083656E+01 Ellipticity 0.6527926E-01 Gb(Abramov) 0.2253743E+00 Vb(Abramov) -0.3018827E+00 Hb(Abramov) -0.7650847E-01 Ex_ueg -0.6061582E-01 Ec_ueg -0.8657556E-02 Delta_ex -0.6444730E-01 Delta_ec 0.1529828E-01 Delta_et -0.2049156E+00 Pxc 0.7001493E+01 Qxc -0.4212714E+01 3,-1 158 3 -1 10.775425 14.429123 10.430232 Rho 0.2159643E+00 |GRAD(Rho)| 0.2207873E-14 GRAD(Rho)x -0.1349019E-14 GRAD(Rho)y -0.6222507E-15 GRAD(Rho)z 0.1633296E-14 Laplacian 0.8452341E+00 (-1/4)Del**2(Rho)) -0.2113085E+00 Diamond 0.2616002E+01 Metallicity 0.6337814E+01 Ellipticity 0.9373624E-02 Gb(Abramov) 0.3640781E+00 Vb(Abramov) -0.5168476E+00 Hb(Abramov) -0.1527695E+00 Ex_ueg -0.9569614E-01 Ec_ueg -0.1279344E-01 Delta_ex -0.9925820E-01 Delta_ec 0.1906585E-01 Delta_et -0.2620536E+00 Pxc 0.7480093E+01 Qxc -0.5206072E+01 3,-1 159 3 -1 13.233167 11.825950 8.722106 Rho 0.6135081E-01 |GRAD(Rho)| 0.6252101E-15 GRAD(Rho)x -0.2956399E-16 GRAD(Rho)y -0.1646755E-15 GRAD(Rho)z 0.6024081E-15 Laplacian 0.2334554E+00 (-1/4)Del**2(Rho)) -0.5836384E-01 Diamond 0.1546500E+00 Metallicity 0.2816932E+01 Ellipticity 0.9098603E-02 Gb(Abramov) 0.6631040E-01 Vb(Abramov) -0.7425695E-01 Hb(Abramov) -0.7946552E-02 Ex_ueg -0.1787086E-01 Ec_ueg -0.3051296E-02 Delta_ex -0.2018593E-01 Delta_ec 0.6848907E-02 Delta_et -0.7606777E-01 Pxc 0.5856809E+01 Qxc -0.2947322E+01 3,-1 160 3 -1 14.693360 12.495702 6.552981 Rho 0.8106956E-01 |GRAD(Rho)| 0.5503354E-15 GRAD(Rho)x 0.3536396E-15 GRAD(Rho)y -0.4057881E-15 GRAD(Rho)z 0.1146476E-15 Laplacian 0.3174613E+00 (-1/4)Del**2(Rho)) -0.7936533E-01 Diamond 0.3020085E+00 Metallicity 0.3296239E+01 Ellipticity 0.1316992E-01 Gb(Abramov) 0.9651141E-01 Vb(Abramov) -0.1136575E+00 Hb(Abramov) -0.1714607E-01 Ex_ueg -0.2591366E-01 Ec_ueg -0.4193387E-02 Delta_ex -0.2938370E-01 Delta_ec 0.9082434E-02 Delta_et -0.1077935E+00 Pxc 0.6179650E+01 Qxc -0.3235223E+01 3,-1 161 3 -1 14.399703 11.947157 9.655164 Rho 0.1586895E+00 |GRAD(Rho)| 0.3972573E-13 GRAD(Rho)x -0.1317531E-13 GRAD(Rho)y -0.7910908E-14 GRAD(Rho)z 0.3663281E-13 Laplacian 0.6550706E+00 (-1/4)Del**2(Rho)) -0.1637676E+00 Diamond 0.1426673E+01 Metallicity 0.4892966E+01 Ellipticity 0.2249333E-01 Gb(Abramov) 0.2427300E+00 Vb(Abramov) -0.3216924E+00 Hb(Abramov) -0.7896238E-01 Ex_ueg -0.6345260E-01 Ec_ueg -0.9002070E-02 Delta_ex -0.7139073E-01 Delta_ec 0.1649145E-01 Delta_et -0.2214582E+00 Pxc 0.7048668E+01 Qxc -0.4328953E+01 3,-1 162 3 -1 16.111977 16.202580 7.103776 Rho 0.1562813E+00 |GRAD(Rho)| 0.4477694E-12 GRAD(Rho)x -0.1230780E-12 GRAD(Rho)y -0.2029570E-12 GRAD(Rho)z -0.3796810E-12 Laplacian 0.6109173E+00 (-1/4)Del**2(Rho)) -0.1527293E+00 Diamond 0.1299507E+01 Metallicity 0.5114571E+01 Ellipticity 0.6227150E-01 Gb(Abramov) 0.2320104E+00 Vb(Abramov) -0.3112914E+00 Hb(Abramov) -0.7928105E-01 Ex_ueg -0.6217195E-01 Ec_ueg -0.8846814E-02 Delta_ex -0.6626367E-01 Delta_ec 0.1532473E-01 Delta_et -0.2050969E+00 Pxc 0.7027609E+01 Qxc -0.4323970E+01 3,-1 163 3 -1 15.806496 12.611514 8.869092 Rho 0.1203389E+00 |GRAD(Rho)| 0.5856591E-13 GRAD(Rho)x 0.4088810E-13 GRAD(Rho)y 0.1883062E-13 GRAD(Rho)z -0.3746381E-13 Laplacian 0.4973716E+00 (-1/4)Del**2(Rho)) -0.1243429E+00 Diamond 0.7837081E+00 Metallicity 0.4063891E+01 Ellipticity 0.1608006E-01 Gb(Abramov) 0.1671146E+00 Vb(Abramov) -0.2098863E+00 Hb(Abramov) -0.4277170E-01 Ex_ueg -0.4387929E-01 Ec_ueg -0.6572795E-02 Delta_ex -0.5077411E-01 Delta_ec 0.1355120E-01 Delta_et -0.1746640E+00 Pxc 0.6675895E+01 Qxc -0.3746836E+01 3,-1 164 3 -1 15.987448 12.483432 7.470376 Rho 0.1795210E+00 |GRAD(Rho)| 0.2250150E-13 GRAD(Rho)x -0.1298251E-13 GRAD(Rho)y -0.1730709E-13 GRAD(Rho)z 0.6183584E-14 Laplacian 0.6842433E+00 (-1/4)Del**2(Rho)) -0.1710608E+00 Diamond 0.1726499E+01 Metallicity 0.5753444E+01 Ellipticity 0.5691901E-01 Gb(Abramov) 0.2780720E+00 Vb(Abramov) -0.3850832E+00 Hb(Abramov) -0.1070112E+00 Ex_ueg -0.7479489E-01 Ec_ueg -0.1035936E-01 Delta_ex -0.7688597E-01 Delta_ec 0.1666564E-01 Delta_et -0.2270510E+00 Pxc 0.7220027E+01 Qxc -0.4613441E+01 3,-1 165 3 -1 12.665260 16.727078 10.382529 Rho 0.1266384E+00 |GRAD(Rho)| 0.1569068E-09 GRAD(Rho)x -0.9800622E-10 GRAD(Rho)y -0.8995980E-10 GRAD(Rho)z 0.8319716E-10 Laplacian 0.4641495E+00 (-1/4)Del**2(Rho)) -0.1160374E+00 Diamond 0.7737662E+00 Metallicity 0.4741304E+01 Ellipticity 0.6855699E-01 Gb(Abramov) 0.1690530E+00 Vb(Abramov) -0.2220687E+00 Hb(Abramov) -0.5301563E-01 Ex_ueg -0.4696840E-01 Ec_ueg -0.6965271E-02 Delta_ex -0.4791440E-01 Delta_ec 0.1241027E-01 Delta_et -0.1612308E+00 Pxc 0.6743228E+01 Qxc -0.3860868E+01 3,-1 166 3 -1 13.672004 10.649999 9.631220 Rho 0.2186093E+00 |GRAD(Rho)| 0.5726962E-12 GRAD(Rho)x -0.9845694E-13 GRAD(Rho)y 0.5485744E-12 GRAD(Rho)z 0.1317318E-12 Laplacian 0.8351460E+00 (-1/4)Del**2(Rho)) -0.2087865E+00 Diamond 0.2629412E+01 Metallicity 0.6545836E+01 Ellipticity 0.8367427E-02 Gb(Abramov) 0.3669714E+00 Vb(Abramov) -0.5251562E+00 Hb(Abramov) -0.1581849E+00 Ex_ueg -0.9726200E-01 Ec_ueg -0.1297298E-01 Delta_ex -0.9842198E-01 Delta_ec 0.1884316E-01 Delta_et -0.2594456E+00 Pxc 0.7497274E+01 Qxc -0.5223221E+01 3,-1 167 3 -1 13.743613 17.856534 9.032730 Rho 0.1408224E+00 |GRAD(Rho)| 0.3386042E-09 GRAD(Rho)x 0.1367879E-09 GRAD(Rho)y 0.1713054E-09 GRAD(Rho)z -0.2580627E-09 Laplacian 0.5574617E+00 (-1/4)Del**2(Rho)) -0.1393654E+00 Diamond 0.1047646E+01 Metallicity 0.4711773E+01 Ellipticity 0.5705834E-01 Gb(Abramov) 0.2023533E+00 Vb(Abramov) -0.2653412E+00 Hb(Abramov) -0.6298789E-01 Ex_ueg -0.5411039E-01 Ec_ueg -0.7858629E-02 Delta_ex -0.5895297E-01 Delta_ec 0.1437442E-01 Delta_et -0.1896331E+00 Pxc 0.6885475E+01 Qxc -0.4101242E+01 3,-1 168 3 -1 16.391519 16.001548 5.591697 Rho 0.2208288E+00 |GRAD(Rho)| 0.1991904E-13 GRAD(Rho)x -0.1260900E-13 GRAD(Rho)y -0.5414722E-14 GRAD(Rho)z 0.1443821E-13 Laplacian 0.8416395E+00 (-1/4)Del**2(Rho)) -0.2104099E+00 Diamond 0.2682499E+01 Metallicity 0.6605614E+01 Ellipticity 0.9931208E-02 Gb(Abramov) 0.3719210E+00 Vb(Abramov) -0.5334321E+00 Hb(Abramov) -0.1615111E+00 Ex_ueg -0.9858087E-01 Ec_ueg -0.1312394E-01 Delta_ex -0.9944833E-01 Delta_ec 0.1893758E-01 Delta_et -0.2608997E+00 Pxc 0.7511531E+01 Qxc -0.5251374E+01 3,-1 169 3 -1 14.294465 14.640004 8.270203 Rho 0.3260672E+00 |GRAD(Rho)| 0.1733758E-14 GRAD(Rho)x 0.6641924E-15 GRAD(Rho)y -0.1268222E-15 GRAD(Rho)z 0.1596459E-14 Laplacian -0.1736832E+01 (-1/4)Del**2(Rho)) 0.4342081E+00 Diamond 0.6209485E+01 Metallicity -0.6128682E+01 Ellipticity 0.1164616E-02 Gb(Abramov) 0.1540485E+00 Vb(Abramov) -0.7423050E+00 Hb(Abramov) -0.5882565E+00 Ex_ueg -0.1657529E+00 Ec_ueg -0.2059220E-01 Delta_ex 0.1742342E+00 Delta_ec 0.6060420E-01 Delta_et -0.1449721E+01 Pxc 0.8049306E+01 Qxc 0.2874953E+01 3,-1 170 3 -1 17.246050 12.419194 8.337809 Rho 0.2201600E+00 |GRAD(Rho)| 0.2237264E-14 GRAD(Rho)x -0.1387670E-14 GRAD(Rho)y -0.9421717E-16 GRAD(Rho)z -0.1752382E-14 Laplacian 0.8415579E+00 (-1/4)Del**2(Rho)) -0.2103895E+00 Diamond 0.2661971E+01 Metallicity 0.6572944E+01 Ellipticity 0.3167087E-02 Gb(Abramov) 0.3707394E+00 Vb(Abramov) -0.5310893E+00 Hb(Abramov) -0.1603499E+00 Ex_ueg -0.9818301E-01 Ec_ueg -0.1307843E-01 Delta_ex -0.9929794E-01 Delta_ec 0.1884023E-01 Delta_et -0.2590712E+00 Pxc 0.7507250E+01 Qxc -0.5270527E+01 3,-1 171 3 -1 11.159235 11.419227 8.855183 Rho 0.1498708E+00 |GRAD(Rho)| 0.8405686E-13 GRAD(Rho)x -0.4380345E-13 GRAD(Rho)y -0.3394717E-14 GRAD(Rho)z -0.7166094E-13 Laplacian 0.5897730E+00 (-1/4)Del**2(Rho)) -0.1474433E+00 Diamond 0.1208221E+01 Metallicity 0.4940719E+01 Ellipticity 0.5793761E-01 Gb(Abramov) 0.2197081E+00 Vb(Abramov) -0.2919730E+00 Hb(Abramov) -0.7226488E-01 Ex_ueg -0.5879512E-01 Ec_ueg -0.8435247E-02 Delta_ex -0.6346508E-01 Delta_ec 0.1522139E-01 Delta_et -0.2031883E+00 Pxc 0.6970172E+01 Qxc -0.4169466E+01 3,-1 172 3 -1 13.512051 11.531980 10.813208 Rho 0.2183692E+00 |GRAD(Rho)| 0.3878220E-08 GRAD(Rho)x 0.1012540E-09 GRAD(Rho)y -0.1277867E-09 GRAD(Rho)z 0.3874792E-08 Laplacian 0.8236025E+00 (-1/4)Del**2(Rho)) -0.2059006E+00 Diamond 0.2594827E+01 Metallicity 0.6625438E+01 Ellipticity 0.1662466E-01 Gb(Abramov) 0.3646307E+00 Vb(Abramov) -0.5233608E+00 Hb(Abramov) -0.1587301E+00 Ex_ueg -0.9711963E-01 Ec_ueg -0.1295667E-01 Delta_ex -0.9706530E-01 Delta_ec 0.1864440E-01 Delta_et -0.2569130E+00 Pxc 0.7495723E+01 Qxc -0.5206137E+01 3,-1 173 3 -1 13.416997 17.962872 10.540573 Rho 0.2157566E+00 |GRAD(Rho)| 0.4830821E-15 GRAD(Rho)x 0.4592748E-15 GRAD(Rho)y -0.1118355E-15 GRAD(Rho)z 0.9963818E-16 Laplacian 0.8450450E+00 (-1/4)Del**2(Rho)) -0.2112613E+00 Diamond 0.2612122E+01 Metallicity 0.6329075E+01 Ellipticity 0.9276578E-02 Gb(Abramov) 0.3636889E+00 Vb(Abramov) -0.5161165E+00 Hb(Abramov) -0.1524276E+00 Ex_ueg -0.9557345E-01 Ec_ueg -0.1277936E-01 Delta_ex -0.9920966E-01 Delta_ec 0.1906384E-01 Delta_et -0.2619999E+00 Pxc 0.7478735E+01 Qxc -0.5204075E+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 58 56 147 98 150 148 95 129 171 133 157 156 132 166 159 172 161 72 149 158 59 102 97 100 137 108 138 91 94 152 92 120 131 135 107 165 173 167 76 144 134 118 87 90 114 115 88 128 82 119 85 86 84 145 123 105 70 122 140 162 73 168 127 112 111 155 117 170 163 146 154 164 142 160 141 136 169 68 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 10 13 13 16 16 16 16 16 16 17 17 17 17 17 17 20 22 22 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 28 29 29 29 29 29 29 39 43 43 43 43 43 43 44 44 44 44 49 53 5 11 12 13 18 54 5 6 7 10 12 14 7 9 10 15 47 53 5 8 21 22 24 53 44 22 44 18 19 20 21 22 23 22 23 24 25 36 39 28 33 55 30 37 38 39 40 45 30 31 32 36 38 41 32 33 35 36 42 30 33 34 48 49 51 55 45 46 47 48 49 50 49 50 51 52 55 55 2.233053 1.778250 1.995835 2.245156 1.874115 1.785034 2.303168 1.772229 1.924197 2.361248 1.917093 1.774590 1.976356 1.778623 2.290949 1.779328 1.891690 2.203529 1.947592 1.782698 2.185552 2.096053 1.999771 1.816363 1.909176 3.252518 1.795569 2.024706 1.785186 2.025343 1.861826 2.182694 1.862472 2.090069 2.183657 2.004753 1.783074 1.948689 1.815846 1.873105 3.259574 2.290511 2.278677 1.778288 1.978968 2.208296 1.779572 1.892013 2.379742 1.774815 1.917731 2.293493 1.922263 1.771885 1.995311 2.242883 1.778255 2.240166 1.784779 1.907292 1.796052 1.774400 2.179750 2.251188 1.988132 2.266664 2.004002 1.775295 2.002601 1.857609 2.298242 1.857864 2.255910 2.175155 1.988703 1.774068 0.986274 2.293778 2.233315 1.778264 1.996318 2.245370 1.874608 1.785060 2.303634 1.772242 1.924711 2.361834 1.917625 1.774603 1.976849 1.778644 2.291300 1.779339 1.892233 2.203721 1.947778 1.782845 2.185888 2.096378 2.000091 1.816705 1.909374 3.257388 1.795862 2.024896 1.785198 2.025532 1.862000 2.182780 1.862646 2.090400 2.183992 2.005054 1.783227 1.948832 1.816189 1.873586 3.264637 2.330671 2.279027 1.778304 1.979470 2.208498 1.779584 1.892561 2.380288 1.774830 1.918264 2.293959 1.922838 1.771896 1.995809 2.243095 1.778267 2.240426 1.784804 1.907546 1.796348 1.774432 2.180204 2.252026 1.988712 2.315384 2.004302 1.775298 2.002898 1.857895 2.299157 1.858152 2.256790 2.175612 1.989286 1.774099 0.986293 2.348032 25 22 23 27 25 22 27 22 23 30 25 23 23 22 27 23 25 25 24 23 28 27 25 23 23 35 22 25 25 24 22 27 22 29 26 23 23 23 23 22 35 31 27 24 25 27 24 24 27 26 25 27 25 23 25 26 26 27 23 25 22 23 25 27 27 29 27 21 24 22 29 22 27 25 25 22 16 29 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 W W W W O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O O O O O O W W O O O O O O O O O O H 2.3933 2.3414 2.3911 2.4937 -1.1027 -0.8931 -1.0328 -0.9205 -0.8961 -1.0702 -0.9010 -1.0324 -0.9069 -0.8947 -0.9091 2.4147 2.4942 -0.9970 -0.9124 -0.9962 -0.9761 -1.0964 -0.9766 -1.0167 -0.9207 2.3918 2.3402 2.3921 2.5219 -1.0689 -0.8944 -1.0322 -0.9087 -0.9126 -0.9010 -1.1037 -0.8959 -1.0327 -0.9559 -0.9093 -0.8934 -0.9196 2.4142 2.5215 -1.0021 -0.9023 -1.0019 -0.9770 -1.0019 -0.9780 -1.0294 -0.9118 -0.9566 -0.9198 0.4509 2.1267 2.1452 2.1302 2.1207 1.9337 1.9466 1.9379 1.9477 1.9438 1.9356 1.9433 1.9379 1.9483 1.9460 1.9459 2.1063 2.1207 1.9313 1.9434 1.9312 1.9406 1.9480 1.9406 1.9346 1.9477 2.1301 2.1455 2.1269 2.1047 1.9358 1.9461 1.9380 1.9481 1.9492 1.9432 1.9337 1.9439 1.9379 1.9458 1.9458 1.9466 1.9441 2.1020 2.1050 1.9294 1.9457 1.9293 1.9406 1.8528 1.9406 1.9349 1.9493 1.9455 1.9440 0.4313 6.0842 6.1037 6.0879 6.0868 5.1428 4.9167 5.0613 4.9449 4.9234 5.1078 4.9288 5.0611 4.9258 4.9192 4.9342 6.0923 6.0868 5.0364 4.9408 5.0357 5.0044 5.1136 5.0048 5.0520 4.9451 6.0878 6.1042 6.0845 6.0692 5.1062 4.9189 5.0608 4.9279 4.9342 4.9289 5.1439 4.9231 5.0613 4.9783 4.9345 4.9170 4.9472 6.0888 6.0696 5.0439 4.9270 5.0437 5.0060 5.1134 5.0069 5.0653 4.9333 4.9793 4.9475 0.1178 3.3663 3.3809 3.3614 3.2688 0.0261 0.0298 0.0335 0.0279 0.0289 0.0268 0.0290 0.0334 0.0328 0.0295 0.0291 3.3555 3.2682 0.0293 0.0282 0.0293 0.0312 0.0347 0.0312 0.0300 0.0279 3.3609 3.3814 3.3670 3.2750 0.0269 0.0295 0.0334 0.0327 0.0292 0.0289 0.0261 0.0290 0.0335 0.0319 0.0290 0.0298 0.0283 3.3644 3.2746 0.0288 0.0296 0.0289 0.0304 0.0356 0.0305 0.0292 0.0292 0.0318 0.0283 0.0000 14.0295 14.0288 14.0295 14.0300 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0312 14.0301 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0295 14.0288 14.0295 14.0293 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 14.0305 14.0293 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 55 W W W W O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O O O O O O W W O O O O O O O O O O H 2.495290 2.457717 2.498019 2.491302 -1.028014 -0.951554 -1.007800 -0.969309 -0.960347 -1.015538 -0.964963 -1.011907 -0.921636 -0.954780 -0.963945 2.500876 2.491480 -0.989461 -0.977379 -0.989210 -1.009166 -1.006214 -1.009326 -1.042984 -0.969616 2.498633 2.457068 2.494670 2.492388 -1.014606 -0.954592 -1.011834 -0.922499 -0.959405 -0.965442 -1.028932 -0.959637 -1.007812 -0.927676 -0.964194 -0.951787 -0.977224 2.498261 2.492407 -0.994648 -0.963181 -0.994331 -1.000682 -0.704073 -1.000445 -1.022049 -0.958527 -0.929737 -0.977574 0.065927 1.937228 1.920921 1.934459 1.894953 -0.656932 -0.878756 -0.811169 -0.913345 -0.893342 -0.666636 -0.901118 -0.824268 -0.690101 -0.883625 -0.900327 1.915563 1.894647 -0.758937 -0.909224 -0.758266 -0.885990 -0.532996 -0.886107 -0.905254 -0.914008 1.935228 1.920856 1.936803 1.919922 -0.666430 -0.883713 -0.824466 -0.690491 -0.890641 -0.901906 -0.658128 -0.892193 -0.811419 -0.681530 -0.901004 -0.878531 -0.916522 1.930551 1.920212 -0.758654 -0.883443 -0.757048 -0.860478 -0.745933 -0.859332 -0.858217 -0.889770 -0.683464 -0.917368 0.319742 2.040288 2.004109 2.044870 1.952074 -0.730980 -0.862368 -0.882532 -0.867927 -0.889625 -0.735498 -0.892976 -0.890353 -0.736212 -0.865600 -0.879732 2.019972 1.952423 -0.840369 -0.883277 -0.834275 -0.909676 -0.591148 -0.910198 -0.959807 -0.870277 2.046329 2.004112 2.038664 1.988878 -0.736990 -0.867243 -0.891385 -0.736090 -0.850316 -0.894735 -0.730502 -0.887428 -0.881324 -0.731895 -0.880613 -0.860937 -0.898121 2.037568 1.990692 -0.832303 -0.860492 -0.826763 -0.887935 -0.772684 -0.888907 -0.918762 -0.851358 -0.732851 -0.898954 0.231440 -712.85109533 -804.95132885 -425.20987565 1156.24684401 -1375.02964996 -12229.40285285 -6443.58579709 -4398.56124967 -7202.50571378 5773.59089964 -389.2614 438.8995 40.4317 -450.7440 -140.3709 -501.0451 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 0 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oct10-2020 23:34:05 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Oct10-2020 23:34:06 Nodes: 1 Procs: 1 Oct10-2020 23:34:07 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Oct10-2020 23:34:09 Nodes: 1 Procs: 28 *** (NO TITLE) *** -11 -18.36784489 -18.38734573 -18.40506259 -18.40901209 -18.41123488 -18.41155283 -18.41231457 -18.41281680 -18.41298810 -18.41314752 -18.41318966 -18.41316519 -18.41306093 -18.41307918 -18.41305698 -18.41314436 -18.41314412 -18.41313864 -18.41307025 GEOMETRY CONVERGED