ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.37 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 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.02 0.74 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:35 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.41 0.03 0.47 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:36 Hydrogen (TZP) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.20 0.02 1.27 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 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 05:29:36 Nodes: 1 Procs: 1 Apr28-2024 05:29:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr28-2024 05:29:39 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2050.8250999999973 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2.522117 Rho 0.3193427E+03 3,-3 35 3 -3 2.097580 -0.117099 3.430697 Rho 0.3190905E+03 3,-3 36 3 -3 0.096745 -2.100243 -3.460958 Rho 0.3189278E+03 3,-3 37 3 -3 1.397092 3.575547 1.348153 Rho 0.3189730E+03 3,-3 38 3 -3 0.798277 -4.642869 -2.487136 Rho 0.3192418E+03 3,-3 39 3 -3 4.591849 -0.600674 -2.487755 Rho 0.3192309E+03 3,-3 40 3 -3 -0.961561 4.391556 2.792450 Rho 0.3192155E+03 3,-3 41 3 -3 4.672999 -0.750850 2.442050 Rho 0.3193397E+03 3,-3 42 3 -3 2.999710 -0.719051 1.924562 Rho 0.1240651E+06 3,-3 43 3 -3 0.383534 -3.041911 1.889782 Rho 0.1240650E+06 3,-3 44 3 -3 -0.104530 0.020319 0.030522 Rho 0.1943360E+04 3,-3 45 3 -3 -2.065403 0.661577 0.692162 Rho 0.4337750E+00 3,-3 46 3 -3 -2.132135 1.350990 -1.243161 Rho 0.4445783E+00 3,-3 47 3 -3 -1.408536 -2.979604 -0.343998 Rho 0.4428607E+00 3,-3 48 3 +1 0.129173 0.962556 -1.512915 Rho 0.8904707E-02 |GRAD(Rho)| 0.9661655E-17 GRAD(Rho)x 0.1683509E-17 GRAD(Rho)y -0.2369627E-17 GRAD(Rho)z -0.9214024E-17 Laplacian 0.3544935E-01 (-1/4)Del**2(Rho)) -0.8862339E-02 Diamond 0.9612659E-03 Metallicity 0.7436539E+00 Ellipticity -0.1401376E+01 Gb(Abramov) 0.7006644E-02 Vb(Abramov) -0.5150950E-02 Hb(Abramov) 0.1855694E-02 Ex_ueg -0.1363153E-02 Ec_ueg -0.3186340E-03 Delta_ex -0.1619407E-02 Delta_ec 0.4730891E-03 Delta_et -0.3283272E-02 Pxc 0.4278114E+01 Qxc -0.3423049E+01 3,+1 49 3 +1 -1.834151 2.426579 -0.031842 Rho 0.7318388E-02 |GRAD(Rho)| 0.1158060E-14 GRAD(Rho)x 0.7636281E-15 GRAD(Rho)y -0.8267847E-15 GRAD(Rho)z 0.2727683E-15 Laplacian 0.3039295E-01 (-1/4)Del**2(Rho)) -0.7598237E-02 Diamond 0.9363482E-03 Metallicity 0.6254597E+00 Ellipticity -0.1942623E+01 Gb(Abramov) 0.5857556E-02 Vb(Abramov) -0.4116876E-02 Hb(Abramov) 0.1740680E-02 Ex_ueg -0.1049395E-02 Ec_ueg -0.2480074E-03 Delta_ex -0.1491649E-02 Delta_ec 0.7104048E-03 Delta_et -0.4417300E-02 Pxc 0.4231305E+01 Qxc -0.2099718E+01 3,+1 50 3 +1 -1.143824 1.371676 0.678389 Rho 0.1224459E-01 |GRAD(Rho)| 0.9758232E-13 GRAD(Rho)x 0.2752687E-13 GRAD(Rho)y -0.4980715E-13 GRAD(Rho)z 0.7927060E-13 Laplacian 0.4976425E-01 (-1/4)Del**2(Rho)) -0.1244106E-01 Diamond 0.1799413E-02 Metallicity 0.9007468E+00 Ellipticity -0.1341996E+01 Gb(Abramov) 0.1016175E-01 Vb(Abramov) -0.7882438E-02 Hb(Abramov) 0.2279313E-02 Ex_ueg -0.2084382E-02 Ec_ueg -0.4708719E-03 Delta_ex -0.2388700E-02 Delta_ec 0.5200730E-03 Delta_et -0.4014628E-02 Pxc 0.4426644E+01 Qxc -0.4593008E+01 3,+1 51 3 +1 0.681924 2.610215 0.774458 Rho 0.2814861E-01 |GRAD(Rho)| 0.2377028E-16 GRAD(Rho)x 0.5461284E-17 GRAD(Rho)y -0.1923232E-16 GRAD(Rho)z 0.1285761E-16 Laplacian 0.1077836E+00 (-1/4)Del**2(Rho)) -0.2694591E-01 Diamond 0.1551340E-01 Metallicity 0.1665285E+01 Ellipticity -0.3387110E+01 Gb(Abramov) 0.2544271E-01 Vb(Abramov) -0.2393951E-01 Hb(Abramov) 0.1503199E-02 Ex_ueg -0.6324037E-02 Ec_ueg -0.1248512E-02 Delta_ex -0.6819547E-02 Delta_ec 0.1649329E-02 Delta_et -0.1500884E-01 Pxc 0.5065259E+01 Qxc -0.4134740E+01 3,+1 52 3 +3 -1.050480 0.669306 1.704721 Rho 0.4692850E-02 |GRAD(Rho)| 0.3340907E-13 GRAD(Rho)x 0.2513775E-13 GRAD(Rho)y -0.2200078E-13 GRAD(Rho)z 0.4747578E-15 Laplacian 0.1837236E-01 (-1/4)Del**2(Rho)) -0.4593091E-02 Diamond 0.1336842E-03 Metallicity 0.4933736E+00 Ellipticity -0.4343662E+00 Gb(Abramov) 0.3439746E-02 Vb(Abramov) -0.2286400E-02 Hb(Abramov) 0.1153345E-02 Ex_ueg -0.5802751E-03 Ec_ueg -0.1337189E-03 Delta_ex -0.6399190E-03 Delta_ec 0.1098871E-03 Delta_et -0.7762197E-03 Pxc 0.4339514E+01 Qxc -0.5823424E+01 3,+3 53 3 +1 -1.488659 1.131947 2.451368 Rho 0.7929463E-02 |GRAD(Rho)| 0.2533148E-16 GRAD(Rho)x 0.5108168E-17 GRAD(Rho)y 0.2175352E-16 GRAD(Rho)z -0.1193209E-16 Laplacian 0.3529513E-01 (-1/4)Del**2(Rho)) -0.8823783E-02 Diamond 0.1129011E-02 Metallicity 0.6156086E+00 Ellipticity -0.1618330E+01 Gb(Abramov) 0.6787855E-02 Vb(Abramov) -0.4751926E-02 Hb(Abramov) 0.2035928E-02 Ex_ueg -0.1167822E-02 Ec_ueg -0.2750790E-03 Delta_ex -0.1722004E-02 Delta_ec 0.7506546E-03 Delta_et -0.4813195E-02 Pxc 0.4245407E+01 Qxc -0.2294004E+01 3,+1 54 3 +1 -1.434599 1.170188 -2.435167 Rho 0.8889787E-02 |GRAD(Rho)| 0.1184291E-16 GRAD(Rho)x -0.8402192E-17 GRAD(Rho)y 0.2129309E-17 GRAD(Rho)z 0.8069926E-17 Laplacian 0.4018259E-01 (-1/4)Del**2(Rho)) -0.1004565E-01 Diamond 0.1239093E-02 Metallicity 0.6542256E+00 Ellipticity -0.1394049E+01 Gb(Abramov) 0.7792452E-02 Vb(Abramov) -0.5539256E-02 Hb(Abramov) 0.2253196E-02 Ex_ueg -0.1360109E-02 Ec_ueg -0.3179646E-03 Delta_ex -0.1900358E-02 Delta_ec 0.6532264E-03 Delta_et -0.4432359E-02 Pxc 0.4277547E+01 Qxc -0.2909188E+01 3,+1 55 3 +3 -0.965056 0.721441 -1.622683 Rho 0.4764826E-02 |GRAD(Rho)| 0.5033996E-17 GRAD(Rho)x -0.4740237E-17 GRAD(Rho)y 0.4007458E-18 GRAD(Rho)z 0.1646411E-17 Laplacian 0.1842864E-01 (-1/4)Del**2(Rho)) -0.4607160E-02 Diamond 0.1317869E-03 Metallicity 0.5045044E+00 Ellipticity -0.5581754E+00 Gb(Abramov) 0.3458828E-02 Vb(Abramov) -0.2310497E-02 Hb(Abramov) 0.1148331E-02 Ex_ueg -0.5921719E-03 Ec_ueg -0.1368064E-03 Delta_ex -0.6394486E-03 Delta_ec 0.1011721E-03 Delta_et -0.7362395E-03 Pxc 0.4328540E+01 Qxc -0.6320402E+01 3,+3 56 3 +1 -1.134200 1.399622 -0.689230 Rho 0.1074896E-01 |GRAD(Rho)| 0.3993844E-17 GRAD(Rho)x -0.1775625E-17 GRAD(Rho)y 0.2037969E-17 GRAD(Rho)z 0.2940176E-17 Laplacian 0.4336236E-01 (-1/4)Del**2(Rho)) -0.1084059E-01 Diamond 0.1536452E-02 Metallicity 0.8319766E+00 Ellipticity -0.1476052E+01 Gb(Abramov) 0.8730247E-02 Vb(Abramov) -0.6619903E-02 Hb(Abramov) 0.2110344E-02 Ex_ueg -0.1752026E-02 Ec_ueg -0.4021291E-03 Delta_ex -0.2084835E-02 Delta_ec 0.5880747E-03 Delta_et -0.4271372E-02 Pxc 0.4356873E+01 Qxc -0.3545188E+01 3,+1 57 3 -1 -1.970184 0.908882 -2.224146 Rho 0.1132557E-01 |GRAD(Rho)| 0.3987910E-16 GRAD(Rho)x -0.4611670E-17 GRAD(Rho)y 0.2936286E-16 GRAD(Rho)z 0.2658755E-16 Laplacian 0.4503558E-01 (-1/4)Del**2(Rho)) -0.1125890E-01 Diamond 0.3698115E-02 Metallicity 0.8739591E+00 Ellipticity 0.4936413E+00 Gb(Abramov) 0.9145899E-02 Vb(Abramov) -0.7032903E-02 Hb(Abramov) 0.2112996E-02 Ex_ueg -0.1878446E-02 Ec_ueg -0.4285253E-03 Delta_ex -0.2814251E-02 Delta_ec 0.1716509E-02 Delta_et -0.1179387E-01 Pxc 0.4383512E+01 Qxc -0.1639521E+01 3,-1 58 3 -1 -1.772805 0.091718 1.685287 Rho 0.6808712E-02 |GRAD(Rho)| 0.5276347E-16 GRAD(Rho)x -0.4055273E-17 GRAD(Rho)y 0.3560338E-16 GRAD(Rho)z -0.3872904E-16 Laplacian 0.2645661E-01 (-1/4)Del**2(Rho)) -0.6614153E-02 Diamond 0.1092892E-02 Metallicity 0.6370701E+00 Ellipticity 0.8667979E+00 Gb(Abramov) 0.5111715E-02 Vb(Abramov) -0.3609277E-02 Hb(Abramov) 0.1502438E-02 Ex_ueg -0.9530997E-03 Ec_ueg -0.2255606E-03 Delta_ex -0.1495341E-02 Delta_ec 0.1006754E-02 Delta_et -0.5930061E-02 Pxc 0.4225470E+01 Qxc -0.1485310E+01 3,-1 59 3 -1 -1.909212 0.985960 2.352742 Rho 0.8692098E-02 |GRAD(Rho)| 0.1249676E-16 GRAD(Rho)x -0.8658873E-18 GRAD(Rho)y 0.8903858E-17 GRAD(Rho)z -0.8725849E-17 Laplacian 0.3425152E-01 (-1/4)Del**2(Rho)) -0.8562880E-02 Diamond 0.2039887E-02 Metallicity 0.7392778E+00 Ellipticity 0.1769329E+00 Gb(Abramov) 0.6763645E-02 Vb(Abramov) -0.4964409E-02 Hb(Abramov) 0.1799236E-02 Ex_ueg -0.1319931E-02 Ec_ueg -0.3091027E-03 Delta_ex -0.2062004E-02 Delta_ec 0.1362242E-02 Delta_et -0.8623596E-02 Pxc 0.4270202E+01 Qxc -0.1513684E+01 3,-1 60 3 +3 -1.537866 1.892240 -0.043025 Rho 0.6435112E-02 |GRAD(Rho)| 0.3886549E-14 GRAD(Rho)x 0.2810682E-14 GRAD(Rho)y -0.1600370E-14 GRAD(Rho)z -0.2155027E-14 Laplacian 0.2702179E-01 (-1/4)Del**2(Rho)) -0.6755447E-02 Diamond 0.3364386E-03 Metallicity 0.5677527E+00 Ellipticity -0.3915830E+00 Gb(Abramov) 0.5142869E-02 Vb(Abramov) -0.3530290E-02 Hb(Abramov) 0.1612578E-02 Ex_ueg -0.8840154E-03 Ec_ueg -0.2091848E-03 Delta_ex -0.1048061E-02 Delta_ec 0.2014174E-03 Delta_et -0.1432784E-02 Pxc 0.4226001E+01 Qxc -0.5203425E+01 3,+3 61 3 -1 -0.233033 2.349210 2.331422 Rho 0.1394990E+00 |GRAD(Rho)| 0.3681268E-09 GRAD(Rho)x 0.1352130E-09 GRAD(Rho)y -0.2546820E-09 GRAD(Rho)z 0.2288490E-09 Laplacian 0.5732550E+00 (-1/4)Del**2(Rho)) -0.1433137E+00 Diamond 0.1071515E+01 Metallicity 0.4510422E+01 Ellipticity 0.9348582E-02 Gb(Abramov) 0.2032768E+00 Vb(Abramov) -0.2632398E+00 Hb(Abramov) -0.5996301E-01 Ex_ueg -0.5343345E-01 Ec_ueg -0.7774726E-02 Delta_ex -0.6055346E-01 Delta_ec 0.1493990E-01 Delta_et -0.1970705E+00 Pxc 0.6872712E+01 Qxc -0.4053136E+01 3,-1 62 3 -1 1.435676 1.494543 -2.086435 Rho 0.5880437E-02 |GRAD(Rho)| 0.3486826E-17 GRAD(Rho)x 0.3037407E-17 GRAD(Rho)y -0.1336503E-17 GRAD(Rho)z 0.1070455E-17 Laplacian 0.2374908E-01 (-1/4)Del**2(Rho)) -0.5937270E-02 Diamond 0.7980532E-03 Metallicity 0.5558816E+00 Ellipticity 0.2528671E+01 Gb(Abramov) 0.4508250E-02 Vb(Abramov) -0.3079230E-02 Hb(Abramov) 0.1429020E-02 Ex_ueg -0.7839069E-03 Ec_ueg -0.1849961E-03 Delta_ex -0.1300471E-02 Delta_ec 0.8936905E-03 Delta_et -0.5037623E-02 Pxc 0.4237423E+01 Qxc -0.1455170E+01 3,-1 63 3 +1 1.406408 1.697153 -1.973212 Rho 0.5836248E-02 |GRAD(Rho)| 0.6558976E-14 GRAD(Rho)x -0.3784734E-14 GRAD(Rho)y -0.4451076E-14 GRAD(Rho)z -0.2980583E-14 Laplacian 0.2431710E-01 (-1/4)Del**2(Rho)) -0.6079275E-02 Diamond 0.6629378E-03 Metallicity 0.5361145E+00 Ellipticity -0.2674851E+01 Gb(Abramov) 0.4596048E-02 Vb(Abramov) -0.3112821E-02 Hb(Abramov) 0.1483227E-02 Ex_ueg -0.7760625E-03 Ec_ueg -0.1830756E-03 Delta_ex -0.1219437E-02 Delta_ec 0.7181707E-03 Delta_et -0.4104219E-02 Pxc 0.4239028E+01 Qxc -0.1697977E+01 3,+1 64 3 -1 -0.165215 2.386510 -2.339347 Rho 0.1379055E+00 |GRAD(Rho)| 0.1782917E-12 GRAD(Rho)x 0.5879508E-13 GRAD(Rho)y -0.1263319E-12 GRAD(Rho)z -0.1112264E-12 Laplacian 0.5731584E+00 (-1/4)Del**2(Rho)) -0.1432896E+00 Diamond 0.1050382E+01 Metallicity 0.4425624E+01 Ellipticity 0.1135697E-01 Gb(Abramov) 0.2012174E+00 Vb(Abramov) -0.2591452E+00 Hb(Abramov) -0.5792778E-01 Ex_ueg -0.5262117E-01 Ec_ueg -0.7673846E-02 Delta_ex -0.6030477E-01 Delta_ec 0.1485426E-01 Delta_et -0.1953422E+00 Pxc 0.6857210E+01 Qxc -0.4059762E+01 3,-1 65 3 -1 -0.076653 2.362507 -0.820148 Rho 0.4766316E-01 |GRAD(Rho)| 0.4025994E-12 GRAD(Rho)x 0.1111907E-12 GRAD(Rho)y -0.2589582E-12 GRAD(Rho)z 0.2875127E-12 Laplacian 0.1799613E+00 (-1/4)Del**2(Rho)) -0.4499032E-01 Diamond 0.8261140E-01 Metallicity 0.2399231E+01 Ellipticity 0.9810710E-02 Gb(Abramov) 0.4798391E-01 Vb(Abramov) -0.5097750E-01 Hb(Abramov) -0.2993590E-02 Ex_ueg -0.1276328E-01 Ec_ueg -0.2286115E-02 Delta_ex -0.1450412E-01 Delta_ec 0.5128734E-02 Delta_et -0.5334974E-01 Pxc 0.5582955E+01 Qxc -0.2828012E+01 3,-1 66 3 +1 -0.310586 2.799876 -0.016548 Rho 0.2782757E-01 |GRAD(Rho)| 0.6807181E-15 GRAD(Rho)x -0.4575318E-15 GRAD(Rho)y -0.2183372E-15 GRAD(Rho)z -0.4542803E-15 Laplacian 0.1050028E+00 (-1/4)Del**2(Rho)) -0.2625071E-01 Diamond 0.1520600E-01 Metallicity 0.1677017E+01 Ellipticity -0.4036042E+01 Gb(Abramov) 0.2483762E-01 Vb(Abramov) -0.2342453E-01 Hb(Abramov) 0.1413089E-02 Ex_ueg -0.6228049E-02 Ec_ueg -0.1232105E-02 Delta_ex -0.6653935E-02 Delta_ec 0.1662308E-02 Delta_et -0.1507777E-01 Pxc 0.5054804E+01 Qxc -0.4002830E+01 3,+1 67 3 -1 -0.164551 2.313224 0.840800 Rho 0.5375760E-01 |GRAD(Rho)| 0.8769556E-12 GRAD(Rho)x 0.2676717E-12 GRAD(Rho)y -0.5655694E-12 GRAD(Rho)z -0.6144381E-12 Laplacian 0.2038859E+00 (-1/4)Del**2(Rho)) -0.5097147E-01 Diamond 0.1114229E+00 Metallicity 0.2587969E+01 Ellipticity 0.1097970E-01 Gb(Abramov) 0.5596641E-01 Vb(Abramov) -0.6096136E-01 Hb(Abramov) -0.4994941E-02 Ex_ueg -0.1498436E-01 Ec_ueg -0.2623609E-02 Delta_ex -0.1698918E-01 Delta_ec 0.5887765E-02 Delta_et -0.6319996E-01 Pxc 0.5711354E+01 Qxc -0.2885506E+01 3,-1 68 3 -1 -0.011036 -1.159030 -3.468963 Rho 0.1224453E+00 |GRAD(Rho)| 0.3329363E-15 GRAD(Rho)x 0.4104552E-16 GRAD(Rho)y -0.3244339E-15 GRAD(Rho)z 0.6248562E-16 Laplacian 0.4713058E+00 (-1/4)Del**2(Rho)) -0.1178264E+00 Diamond 0.7591308E+00 Metallicity 0.4414493E+01 Ellipticity 0.2716301E-01 Gb(Abramov) 0.1652416E+00 Vb(Abramov) -0.2126568E+00 Hb(Abramov) -0.4741519E-01 Ex_ueg -0.4490638E-01 Ec_ueg -0.6703730E-02 Delta_ex -0.4832312E-01 Delta_ec 0.1280886E-01 Delta_et -0.1656336E+00 Pxc 0.6698716E+01 Qxc -0.3772633E+01 3,-1 69 3 +1 -0.507052 -3.092975 0.078874 Rho 0.1411006E-01 |GRAD(Rho)| 0.8184846E-17 GRAD(Rho)x 0.5353248E-18 GRAD(Rho)y 0.3277170E-17 GRAD(Rho)z 0.7480995E-17 Laplacian 0.6478128E-01 (-1/4)Del**2(Rho)) -0.1619532E-01 Diamond 0.3260800E-02 Metallicity 0.8764190E+00 Ellipticity -0.1416261E+01 Gb(Abramov) 0.1316253E-01 Vb(Abramov) -0.1012974E-01 Hb(Abramov) 0.3032792E-02 Ex_ueg -0.2518200E-02 Ec_ueg -0.5578324E-03 Delta_ex -0.3328462E-02 Delta_ec 0.8485161E-03 Delta_et -0.6612111E-02 Pxc 0.4514259E+01 Qxc -0.3922686E+01 3,+1 70 3 -1 1.472000 -2.726689 1.996635 Rho 0.7536393E-01 |GRAD(Rho)| 0.1142433E-15 GRAD(Rho)x -0.7155396E-16 GRAD(Rho)y 0.8358182E-16 GRAD(Rho)z 0.3075132E-16 Laplacian 0.3002446E+00 (-1/4)Del**2(Rho)) -0.7506116E-01 Diamond 0.2620749E+00 Metallicity 0.3086104E+01 Ellipticity 0.9561558E-02 Gb(Abramov) 0.8864852E-01 Vb(Abramov) -0.1022359E+00 Hb(Abramov) -0.1358737E-01 Ex_ueg -0.2351093E-01 Ec_ueg -0.3858706E-02 Delta_ex -0.2735065E-01 Delta_ec 0.8748336E-02 Delta_et -0.1021689E+00 Pxc 0.6092958E+01 Qxc -0.3126382E+01 3,-1 71 3 -1 0.680114 -3.148517 0.901240 Rho 0.1225248E+00 |GRAD(Rho)| 0.1019061E-15 GRAD(Rho)x 0.1656796E-17 GRAD(Rho)y -0.4536708E-16 GRAD(Rho)z -0.9123561E-16 Laplacian 0.5028553E+00 (-1/4)Del**2(Rho)) -0.1257138E+00 Diamond 0.7986690E+00 Metallicity 0.4142003E+01 Ellipticity 0.9233950E-02 Gb(Abramov) 0.1705937E+00 Vb(Abramov) -0.2154736E+00 Hb(Abramov) -0.4487990E-01 Ex_ueg -0.4494527E-01 Ec_ueg -0.6708678E-02 Delta_ex -0.5141049E-01 Delta_ec 0.1338680E-01 Delta_et -0.1726641E+00 Pxc 0.6699571E+01 Qxc -0.3840387E+01 3,-1 72 3 -1 0.334152 -2.512649 -2.699126 Rho 0.1518546E+00 |GRAD(Rho)| 0.1635248E-11 GRAD(Rho)x -0.4409093E-12 GRAD(Rho)y 0.8099704E-12 GRAD(Rho)z -0.1350401E-11 Laplacian 0.6028975E+00 (-1/4)Del**2(Rho)) -0.1507244E+00 Diamond 0.1243970E+01 Metallicity 0.4940256E+01 Ellipticity 0.6035234E-01 Gb(Abramov) 0.2245858E+00 Vb(Abramov) -0.2984471E+00 Hb(Abramov) -0.7386138E-01 Ex_ueg -0.5983504E-01 Ec_ueg -0.8562339E-02 Delta_ex -0.6498105E-01 Delta_ec 0.1532075E-01 Delta_et -0.2044613E+00 Pxc 0.6988165E+01 Qxc -0.4241376E+01 3,-1 73 3 -1 -0.384517 -3.025138 -1.555775 Rho 0.1385236E+00 |GRAD(Rho)| 0.1510494E-13 GRAD(Rho)x 0.1403299E-13 GRAD(Rho)y -0.6739608E-15 GRAD(Rho)z -0.5547984E-14 Laplacian 0.5225007E+00 (-1/4)Del**2(Rho)) -0.1306252E+00 Diamond 0.9793185E+00 Metallicity 0.4891017E+01 Ellipticity 0.1101846E+00 Gb(Abramov) 0.1935651E+00 Vb(Abramov) -0.2565051E+00 Hb(Abramov) -0.6293993E-01 Ex_ueg -0.5293587E-01 Ec_ueg -0.7712956E-02 Delta_ex -0.5521867E-01 Delta_ec 0.1385529E-01 Delta_et -0.1830034E+00 Pxc 0.6863240E+01 Qxc -0.3985385E+01 3,-1 74 3 +3 -0.898809 -1.730212 0.052751 Rho 0.3673064E-02 |GRAD(Rho)| 0.8963651E-15 GRAD(Rho)x -0.2734705E-15 GRAD(Rho)y 0.7210520E-15 GRAD(Rho)z -0.4569116E-15 Laplacian 0.1410839E-01 (-1/4)Del**2(Rho)) -0.3527099E-02 Diamond 0.1115331E-03 Metallicity 0.4270871E+00 Ellipticity -0.6938104E+00 Gb(Abramov) 0.2602462E-02 Vb(Abramov) -0.1677826E-02 Hb(Abramov) 0.9246365E-03 Ex_ueg -0.4185588E-03 Ec_ueg -0.9026404E-04 Delta_ex -0.5135112E-03 Delta_ec 0.1793953E-03 Delta_et -0.9973403E-03 Pxc 0.4637049E+01 Qxc -0.2862456E+01 3,+3 75 3 +1 0.563658 -1.710677 0.027914 Rho 0.8399432E-02 |GRAD(Rho)| 0.9552323E-17 GRAD(Rho)x 0.3626148E-17 GRAD(Rho)y -0.8735768E-17 GRAD(Rho)z 0.1335771E-17 Laplacian 0.3360209E-01 (-1/4)Del**2(Rho)) -0.8400523E-02 Diamond 0.8669566E-03 Metallicity 0.7117541E+00 Ellipticity -0.1405581E+01 Gb(Abramov) 0.6596867E-02 Vb(Abramov) -0.4793210E-02 Hb(Abramov) 0.1803657E-02 Ex_ueg -0.1261009E-02 Ec_ueg -0.2960151E-03 Delta_ex -0.1524164E-02 Delta_ec 0.4696625E-03 Delta_et -0.3193285E-02 Pxc 0.4259949E+01 Qxc -0.3245233E+01 3,+1 76 3 -1 0.292407 -2.508017 2.751470 Rho 0.1399569E+00 |GRAD(Rho)| 0.2595957E-11 GRAD(Rho)x -0.4162685E-12 GRAD(Rho)y 0.2541320E-11 GRAD(Rho)z 0.3277293E-12 Laplacian 0.5365535E+00 (-1/4)Del**2(Rho)) -0.1341384E+00 Diamond 0.1001765E+01 Metallicity 0.4845334E+01 Ellipticity 0.6168375E-01 Gb(Abramov) 0.1977498E+00 Vb(Abramov) -0.2613612E+00 Hb(Abramov) -0.6361142E-01 Ex_ueg -0.5366741E-01 Ec_ueg -0.7803741E-02 Delta_ex -0.5666603E-01 Delta_ec 0.1387273E-01 Delta_et -0.1828797E+00 Pxc 0.6877139E+01 Qxc -0.4084707E+01 3,-1 77 3 -1 -1.360019 -3.013625 0.244024 Rho 0.4016675E-01 |GRAD(Rho)| 0.2931149E-16 GRAD(Rho)x -0.1698165E-17 GRAD(Rho)y 0.2362487E-16 GRAD(Rho)z -0.1726688E-16 Laplacian 0.1176938E+00 (-1/4)Del**2(Rho)) -0.2942344E-01 Diamond 0.6679537E-01 Metallicity 0.2758275E+01 Ellipticity 0.1021445E-01 Gb(Abramov) 0.3314195E-01 Vb(Abramov) -0.3686046E-01 Hb(Abramov) -0.3718512E-02 Ex_ueg -0.1015954E-01 Ec_ueg -0.1879012E-02 Delta_ex -0.1047032E-01 Delta_ec 0.5830251E-02 Delta_et -0.5828025E-01 Pxc 0.5406852E+01 Qxc -0.1795861E+01 3,-1 78 3 -1 0.711898 -3.894481 -2.197105 Rho 0.2333154E+00 |GRAD(Rho)| 0.5646169E-08 GRAD(Rho)x 0.6040394E-09 GRAD(Rho)y -0.5232069E-08 GRAD(Rho)z -0.2034655E-08 Laplacian 0.8664631E+00 (-1/4)Del**2(Rho)) -0.2166158E+00 Diamond 0.2954417E+01 Metallicity 0.7032376E+01 Ellipticity 0.2815568E-02 Gb(Abramov) 0.3982978E+00 Vb(Abramov) -0.5799798E+00 Hb(Abramov) -0.1816820E+00 Ex_ueg -0.1060823E+00 Ec_ueg -0.1397825E-01 Delta_ex -0.1038761E+00 Delta_ec 0.1922592E-01 Delta_et -0.2657092E+00 Pxc 0.7589097E+01 Qxc -0.5402922E+01 3,-1 79 3 -1 0.537560 -3.901283 2.228024 Rho 0.2172106E+00 |GRAD(Rho)| 0.6238864E-15 GRAD(Rho)x 0.5112149E-15 GRAD(Rho)y 0.3430416E-15 GRAD(Rho)z 0.1010747E-15 Laplacian 0.8049818E+00 (-1/4)Del**2(Rho)) -0.2012454E+00 Diamond 0.2525593E+01 Metallicity 0.6718859E+01 Ellipticity 0.1302509E-01 Gb(Abramov) 0.3595203E+00 Vb(Abramov) -0.5177951E+00 Hb(Abramov) -0.1582748E+00 Ex_ueg -0.9643318E-01 Ec_ueg -0.1287799E-01 Delta_ex -0.9477454E-01 Delta_ec 0.1831132E-01 Delta_et -0.2524827E+00 Pxc 0.7488215E+01 Qxc -0.5175736E+01 3,-1 80 3 -1 1.569268 -2.673922 -1.970674 Rho 0.1483620E+00 |GRAD(Rho)| 0.5550780E-15 GRAD(Rho)x -0.5131529E-15 GRAD(Rho)y -0.2040130E-15 GRAD(Rho)z 0.5625315E-16 Laplacian 0.5954962E+00 (-1/4)Del**2(Rho)) -0.1488741E+00 Diamond 0.1189738E+01 Metallicity 0.4811405E+01 Ellipticity 0.5225819E-01 Gb(Abramov) 0.2186316E+00 Vb(Abramov) -0.2883892E+00 Hb(Abramov) -0.6975755E-01 Ex_ueg -0.5800721E-01 Ec_ueg -0.8338741E-02 Delta_ex -0.6376605E-01 Delta_ec 0.1512821E-01 Delta_et -0.2010267E+00 Pxc 0.6956351E+01 Qxc -0.4215042E+01 3,-1 81 3 +1 2.048939 -2.084752 0.294778 Rho 0.5603161E-02 |GRAD(Rho)| 0.2419884E-15 GRAD(Rho)x 0.4797378E-16 GRAD(Rho)y -0.1307873E-16 GRAD(Rho)z 0.2368245E-15 Laplacian 0.2336706E-01 (-1/4)Del**2(Rho)) -0.5841765E-02 Diamond 0.5705801E-03 Metallicity 0.5212718E+00 Ellipticity -0.2079011E+01 Gb(Abramov) 0.4402034E-02 Vb(Abramov) -0.2962304E-02 Hb(Abramov) 0.1439730E-02 Ex_ueg -0.7350144E-03 Ec_ueg -0.1729609E-03 Delta_ex -0.1136342E-02 Delta_ec 0.6438971E-03 Delta_et -0.3655063E-02 Pxc 0.4249598E+01 Qxc -0.1764788E+01 3,+1 82 3 +3 1.531926 -1.587288 0.047350 Rho 0.4525551E-02 |GRAD(Rho)| 0.2102805E-17 GRAD(Rho)x -0.1036146E-17 GRAD(Rho)y -0.1819824E-17 GRAD(Rho)z 0.1908736E-18 Laplacian 0.1868728E-01 (-1/4)Del**2(Rho)) -0.4671820E-02 Diamond 0.1515972E-03 Metallicity 0.4565827E+00 Ellipticity -0.3859749E+00 Gb(Abramov) 0.3470059E-02 Vb(Abramov) -0.2268298E-02 Hb(Abramov) 0.1201761E-02 Ex_ueg -0.5528580E-03 Ec_ueg -0.1265528E-03 Delta_ex -0.6680936E-03 Delta_ec 0.1537852E-03 Delta_et -0.9879722E-03 Pxc 0.4368596E+01 Qxc -0.4344329E+01 3,+3 83 3 +3 1.294953 -1.365316 -2.683004 Rho 0.1221909E-01 |GRAD(Rho)| 0.9701523E-16 GRAD(Rho)x -0.4745000E-16 GRAD(Rho)y 0.3570478E-16 GRAD(Rho)z 0.7671780E-16 Laplacian 0.5533777E-01 (-1/4)Del**2(Rho)) -0.1383444E-01 Diamond 0.1378528E-02 Metallicity 0.8072154E+00 Ellipticity -0.8314895E+00 Gb(Abramov) 0.1108419E-01 Vb(Abramov) -0.8333940E-02 Hb(Abramov) 0.2750252E-02 Ex_ueg -0.2078596E-02 Ec_ueg -0.4696923E-03 Delta_ex -0.2480766E-02 Delta_ec 0.2677323E-03 Delta_et -0.2359307E-02 Pxc 0.4425442E+01 Qxc -0.9265842E+01 3,+3 84 3 +1 1.364449 -1.435194 -2.811397 Rho 0.1227041E-01 |GRAD(Rho)| 0.3284229E-16 GRAD(Rho)x -0.1095145E-16 GRAD(Rho)y -0.3006288E-16 GRAD(Rho)z 0.7409781E-17 Laplacian 0.5641891E-01 (-1/4)Del**2(Rho)) -0.1410473E-01 Diamond 0.1807600E-02 Metallicity 0.7972969E+00 Ellipticity -0.1115581E+01 Gb(Abramov) 0.1127743E-01 Vb(Abramov) -0.8450128E-02 Hb(Abramov) 0.2827300E-02 Ex_ueg -0.2090244E-02 Ec_ueg -0.4720663E-03 Delta_ex -0.2642812E-02 Delta_ec 0.4702373E-03 Delta_et -0.3744225E-02 Pxc 0.4427862E+01 Qxc -0.5620167E+01 3,+1 85 3 +1 1.561242 -1.391533 -1.697717 Rho 0.2454639E-01 |GRAD(Rho)| 0.5858582E-14 GRAD(Rho)x -0.4833490E-14 GRAD(Rho)y -0.3249912E-14 GRAD(Rho)z 0.6312114E-15 Laplacian 0.9034090E-01 (-1/4)Del**2(Rho)) -0.2258522E-01 Diamond 0.1065102E-01 Metallicity 0.1581399E+01 Ellipticity -0.3109867E+01 Gb(Abramov) 0.2100953E-01 Vb(Abramov) -0.1943383E-01 Hb(Abramov) 0.1575699E-02 Ex_ueg -0.5268682E-02 Ec_ueg -0.1065903E-02 Delta_ex -0.5494444E-02 Delta_ec 0.1360057E-02 Delta_et -0.1199407E-01 Pxc 0.4942928E+01 Qxc -0.4039865E+01 3,+1 86 3 +1 1.406224 -1.646382 1.742892 Rho 0.2110279E-01 |GRAD(Rho)| 0.1224452E-14 GRAD(Rho)x -0.2862467E-15 GRAD(Rho)y -0.1149284E-14 GRAD(Rho)z 0.3106302E-15 Laplacian 0.7751451E-01 (-1/4)Del**2(Rho)) -0.1937863E-01 Diamond 0.8094569E-02 Metallicity 0.1432616E+01 Ellipticity -0.3727136E+01 Gb(Abramov) 0.1754611E-01 Vb(Abramov) -0.1571359E-01 Hb(Abramov) 0.1832519E-02 Ex_ueg -0.4306967E-02 Ec_ueg -0.8945718E-03 Delta_ex -0.4617615E-02 Delta_ec 0.1331082E-02 Delta_et -0.1126133E-01 Pxc 0.4814557E+01 Qxc -0.3469070E+01 3,+1 87 3 +3 1.358540 -1.395908 2.679909 Rho 0.1145166E-01 |GRAD(Rho)| 0.5244640E-14 GRAD(Rho)x -0.2801631E-14 GRAD(Rho)y 0.2061767E-14 GRAD(Rho)z -0.3925077E-14 Laplacian 0.5052287E-01 (-1/4)Del**2(Rho)) -0.1263072E-01 Diamond 0.1109616E-02 Metallicity 0.7935474E+00 Ellipticity -0.7284823E+00 Gb(Abramov) 0.1009099E-01 Vb(Abramov) -0.7551263E-02 Hb(Abramov) 0.2539727E-02 Ex_ueg -0.1906382E-02 Ec_ueg -0.4343154E-03 Delta_ex -0.2210319E-02 Delta_ec 0.2224529E-03 Delta_et -0.1990089E-02 Pxc 0.4389394E+01 Qxc -0.9936121E+01 3,+3 88 3 +1 1.460099 -1.479527 2.860266 Rho 0.1157687E-01 |GRAD(Rho)| 0.3497870E-15 GRAD(Rho)x -0.1796402E-15 GRAD(Rho)y 0.1506063E-15 GRAD(Rho)z -0.2596114E-15 Laplacian 0.5194231E-01 (-1/4)Del**2(Rho)) -0.1298558E-01 Diamond 0.1622942E-02 Metallicity 0.7859777E+00 Ellipticity -0.1163909E+01 Gb(Abramov) 0.1035811E-01 Vb(Abramov) -0.7730651E-02 Hb(Abramov) 0.2627464E-02 Ex_ueg -0.1934222E-02 Ec_ueg -0.4400711E-03 Delta_ex -0.2420507E-02 Delta_ec 0.4802103E-03 Delta_et -0.3721122E-02 Pxc 0.4395250E+01 Qxc -0.5040514E+01 3,+1 89 3 -1 1.889566 3.083130 -0.665578 Rho 0.1147527E+00 |GRAD(Rho)| 0.1460208E-13 GRAD(Rho)x 0.1107279E-13 GRAD(Rho)y 0.8870617E-14 GRAD(Rho)z -0.3453455E-14 Laplacian 0.4519132E+00 (-1/4)Del**2(Rho)) -0.1129783E+00 Diamond 0.6668387E+00 Metallicity 0.4132025E+01 Ellipticity 0.2051882E-01 Gb(Abramov) 0.1531237E+00 Vb(Abramov) -0.1932692E+00 Hb(Abramov) -0.4014543E-01 Ex_ueg -0.4118467E-01 Ec_ueg -0.6227074E-02 Delta_ex -0.4553636E-01 Delta_ec 0.1230396E-01 Delta_et -0.1570158E+00 Pxc 0.6613807E+01 Qxc -0.3700950E+01 3,-1 90 3 -1 1.870050 3.115140 0.770361 Rho 0.1686120E+00 |GRAD(Rho)| 0.3467764E-12 GRAD(Rho)x 0.1769297E-12 GRAD(Rho)y -0.2005266E-12 GRAD(Rho)z -0.2207687E-12 Laplacian 0.6537046E+00 (-1/4)Del**2(Rho)) -0.1634261E+00 Diamond 0.1524578E+01 Metallicity 0.5424740E+01 Ellipticity 0.5847983E-01 Gb(Abramov) 0.2567082E+00 Vb(Abramov) -0.3499902E+00 Hb(Abramov) -0.9328201E-01 Ex_ueg -0.6879701E-01 Ec_ueg -0.9645407E-02 Delta_ex -0.7226589E-01 Delta_ec 0.1610340E-01 Delta_et -0.2176216E+00 Pxc 0.7132619E+01 Qxc -0.4487618E+01 3,-1 91 3 -1 2.953409 0.325514 1.593549 Rho 0.8946521E-01 |GRAD(Rho)| 0.1573074E-12 GRAD(Rho)x 0.2907203E-13 GRAD(Rho)y 0.1151044E-12 GRAD(Rho)z -0.1032057E-12 Laplacian 0.3738454E+00 (-1/4)Del**2(Rho)) -0.9346135E-01 Diamond 0.4060490E+00 Metallicity 0.3298715E+01 Ellipticity 0.4838042E-02 Gb(Abramov) 0.1136913E+00 Vb(Abramov) -0.1339212E+00 Hb(Abramov) -0.2022994E-01 Ex_ueg -0.2955226E-01 Ec_ueg -0.4691441E-02 Delta_ex -0.3549848E-01 Delta_ec 0.1066437E-01 Delta_et -0.1294662E+00 Pxc 0.6299186E+01 Qxc -0.3328698E+01 3,-1 92 3 +3 1.789947 0.334310 0.059745 Rho 0.4548076E-02 |GRAD(Rho)| 0.9453709E-15 GRAD(Rho)x 0.4499125E-15 GRAD(Rho)y 0.4922701E-15 GRAD(Rho)z -0.6700560E-15 Laplacian 0.1753705E-01 (-1/4)Del**2(Rho)) -0.4384262E-02 Diamond 0.1165505E-03 Metallicity 0.4905720E+00 Ellipticity -0.3614069E+00 Gb(Abramov) 0.3281308E-02 Vb(Abramov) -0.2178353E-02 Hb(Abramov) 0.1102955E-02 Ex_ueg -0.5565301E-03 Ec_ueg -0.1275168E-03 Delta_ex -0.5996708E-03 Delta_ec 0.9413487E-04 Delta_et -0.6838139E-03 Pxc 0.4364367E+01 Qxc -0.6370336E+01 3,+3 93 3 -1 2.886259 0.465522 -1.576949 Rho 0.1543503E+00 |GRAD(Rho)| 0.2825492E-13 GRAD(Rho)x 0.1141125E-13 GRAD(Rho)y 0.9000721E-14 GRAD(Rho)z 0.2423037E-13 Laplacian 0.6404987E+00 (-1/4)Del**2(Rho)) -0.1601247E+00 Diamond 0.1344062E+01 Metallicity 0.4778304E+01 Ellipticity 0.2141416E-01 Gb(Abramov) 0.2342705E+00 Vb(Abramov) -0.3084164E+00 Hb(Abramov) -0.7414585E-01 Ex_ueg -0.6114977E-01 Ec_ueg -0.8722572E-02 Delta_ex -0.6927672E-01 Delta_ec 0.1614827E-01 Delta_et -0.2158375E+00 Pxc 0.7010521E+01 Qxc -0.4290040E+01 3,-1 94 3 +1 2.957336 0.555973 -0.006449 Rho 0.1229256E-01 |GRAD(Rho)| 0.2416096E-13 GRAD(Rho)x 0.3254643E-14 GRAD(Rho)y -0.2370584E-13 GRAD(Rho)z -0.3345535E-14 Laplacian 0.6056112E-01 (-1/4)Del**2(Rho)) -0.1514028E-01 Diamond 0.2472781E-02 Metallicity 0.7450006E+00 Ellipticity -0.1271279E+01 Gb(Abramov) 0.1197344E-01 Vb(Abramov) -0.8806599E-02 Hb(Abramov) 0.3166840E-02 Ex_ueg -0.2095278E-02 Ec_ueg -0.4730915E-03 Delta_ex -0.2985923E-02 Delta_ec 0.7683804E-03 Delta_et -0.5809004E-02 Pxc 0.4428906E+01 Qxc -0.3885996E+01 3,+1 95 3 +1 1.411603 0.710210 -0.841422 Rho 0.7906286E-02 |GRAD(Rho)| 0.1571392E-14 GRAD(Rho)x -0.1059768E-14 GRAD(Rho)y 0.7785606E-15 GRAD(Rho)z 0.8602373E-15 Laplacian 0.3089128E-01 (-1/4)Del**2(Rho)) -0.7722820E-02 Diamond 0.7245690E-03 Metallicity 0.6999465E+00 Ellipticity -0.1393639E+01 Gb(Abramov) 0.6049473E-02 Vb(Abramov) -0.4376127E-02 Hb(Abramov) 0.1673346E-02 Ex_ueg -0.1163273E-02 Ec_ueg -0.2740491E-03 Delta_ex -0.1375246E-02 Delta_ec 0.4233127E-03 Delta_et -0.2840727E-02 Pxc 0.4244762E+01 Qxc -0.3248771E+01 3,+1 96 3 +1 1.544299 1.256488 2.225500 Rho 0.5232374E-02 |GRAD(Rho)| 0.6024368E-17 GRAD(Rho)x 0.5121415E-17 GRAD(Rho)y -0.3172163E-17 GRAD(Rho)z 0.3872893E-19 Laplacian 0.2145735E-01 (-1/4)Del**2(Rho)) -0.5364337E-02 Diamond 0.4723734E-03 Metallicity 0.5064482E+00 Ellipticity -0.1988405E+01 Gb(Abramov) 0.4029018E-02 Vb(Abramov) -0.2693699E-02 Hb(Abramov) 0.1335319E-02 Ex_ueg -0.6708881E-03 Ec_ueg -0.1569265E-03 Delta_ex -0.1024235E-02 Delta_ec 0.5827869E-03 Delta_et -0.3245832E-02 Pxc 0.4275175E+01 Qxc -0.1757477E+01 3,+1 97 3 +3 1.201187 1.062838 1.676251 Rho 0.4431411E-02 |GRAD(Rho)| 0.5910249E-17 GRAD(Rho)x -0.3812931E-17 GRAD(Rho)y -0.4039541E-17 GRAD(Rho)z -0.2018592E-17 Laplacian 0.1830642E-01 (-1/4)Del**2(Rho)) -0.4576604E-02 Diamond 0.1546106E-03 Metallicity 0.4500352E+00 Ellipticity -0.4305724E+00 Gb(Abramov) 0.3394342E-02 Vb(Abramov) -0.2212079E-02 Hb(Abramov) 0.1182262E-02 Ex_ueg -0.5375775E-03 Ec_ueg -0.1225267E-03 Delta_ex -0.6621408E-03 Delta_ec 0.1706782E-03 Delta_et -0.1059827E-02 Pxc 0.4387430E+01 Qxc -0.3879469E+01 3,+3 98 3 -1 -1.800672 0.142981 -1.576529 Rho 0.7163755E-02 |GRAD(Rho)| 0.2983593E-15 GRAD(Rho)x -0.5145686E-16 GRAD(Rho)y 0.2792025E-15 GRAD(Rho)z 0.9174106E-16 Laplacian 0.2685577E-01 (-1/4)Del**2(Rho)) -0.6713941E-02 Diamond 0.1006813E-02 Metallicity 0.6830883E+00 Ellipticity 0.8457961E+01 Gb(Abramov) 0.5240330E-02 Vb(Abramov) -0.3766719E-02 Hb(Abramov) 0.1473611E-02 Ex_ueg -0.1019935E-02 Ec_ueg -0.2411843E-03 Delta_ex -0.1428489E-02 Delta_ec 0.8360676E-03 Delta_et -0.5059971E-02 Pxc 0.4228863E+01 Qxc -0.1708580E+01 3,-1 99 3 +1 -1.258139 -0.061938 -1.557766 Rho 0.6325325E-02 |GRAD(Rho)| 0.4282258E-16 GRAD(Rho)x -0.6581635E-17 GRAD(Rho)y 0.2928881E-17 GRAD(Rho)z 0.4221229E-16 Laplacian 0.2531213E-01 (-1/4)Del**2(Rho)) -0.6328033E-02 Diamond 0.5679921E-03 Metallicity 0.5889646E+00 Ellipticity -0.1577557E+01 Gb(Abramov) 0.4839854E-02 Vb(Abramov) -0.3351674E-02 Hb(Abramov) 0.1488180E-02 Ex_ueg -0.8639638E-03 Ec_ueg -0.2043854E-03 Delta_ex -0.1153778E-02 Delta_ec 0.5039276E-03 Delta_et -0.3051042E-02 Pxc 0.4227132E+01 Qxc -0.2289571E+01 3,+1 100 3 +1 1.592087 -0.648655 0.044372 Rho 0.7866082E-02 |GRAD(Rho)| 0.6220687E-14 GRAD(Rho)x 0.5649841E-14 GRAD(Rho)y -0.3140227E-15 GRAD(Rho)z -0.2584112E-14 Laplacian 0.3029224E-01 (-1/4)Del**2(Rho)) -0.7573060E-02 Diamond 0.7476369E-03 Metallicity 0.7077489E+00 Ellipticity -0.1470464E+01 Gb(Abramov) 0.5942011E-02 Vb(Abramov) -0.4310962E-02 Hb(Abramov) 0.1631049E-02 Ex_ueg -0.1155393E-02 Ec_ueg -0.2722632E-03 Delta_ex -0.1368176E-02 Delta_ec 0.4531900E-03 Delta_et -0.3004650E-02 Pxc 0.4243662E+01 Qxc -0.3018990E+01 3,+1 101 3 +1 -1.295422 -0.087485 1.641673 Rho 0.6224487E-02 |GRAD(Rho)| 0.6399437E-12 GRAD(Rho)x -0.2126046E-12 GRAD(Rho)y -0.6034776E-12 GRAD(Rho)z 0.1191573E-13 Laplacian 0.2451769E-01 (-1/4)Del**2(Rho)) -0.6129422E-02 Diamond 0.5633968E-03 Metallicity 0.5919789E+00 Ellipticity -0.1685888E+01 Gb(Abramov) 0.4691030E-02 Vb(Abramov) -0.3252637E-02 Hb(Abramov) 0.1438393E-02 Ex_ueg -0.8456483E-03 Ec_ueg -0.1999822E-03 Delta_ex -0.1130851E-02 Delta_ec 0.5191293E-03 Delta_et -0.3109694E-02 Pxc 0.4228619E+01 Qxc -0.2178361E+01 3,+1 102 3 -1 0.178822 -0.388476 -2.376693 Rho 0.5347049E-01 |GRAD(Rho)| 0.5964344E-16 GRAD(Rho)x 0.3169110E-16 GRAD(Rho)y -0.1833763E-16 GRAD(Rho)z 0.4708233E-16 Laplacian 0.2023902E+00 (-1/4)Del**2(Rho)) -0.5059754E-01 Diamond 0.1109764E+00 Metallicity 0.2583929E+01 Ellipticity 0.9192574E-02 Gb(Abramov) 0.5552177E-01 Vb(Abramov) -0.6044601E-01 Hb(Abramov) -0.4924232E-02 Ex_ueg -0.1487775E-01 Ec_ueg -0.2607589E-02 Delta_ex -0.1688782E-01 Delta_ec 0.5927391E-02 Delta_et -0.6356755E-01 Pxc 0.5705558E+01 Qxc -0.2849115E+01 3,-1 103 3 -1 -1.070402 -0.168786 -3.288676 Rho 0.2266020E+00 |GRAD(Rho)| 0.2091432E-13 GRAD(Rho)x 0.2016161E-13 GRAD(Rho)y 0.1460786E-14 GRAD(Rho)z -0.5365120E-14 Laplacian 0.8848440E+00 (-1/4)Del**2(Rho)) -0.2212110E+00 Diamond 0.2883160E+01 Metallicity 0.6559226E+01 Ellipticity 0.1724661E-01 Gb(Abramov) 0.3893028E+00 Vb(Abramov) -0.5573946E+00 Hb(Abramov) -0.1680918E+00 Ex_ueg -0.1020320E+00 Ec_ueg -0.1351786E-01 Delta_ex -0.1051062E+00 Delta_ec 0.1949585E-01 Delta_et -0.2678378E+00 Pxc 0.7547942E+01 Qxc -0.5391208E+01 3,-1 104 3 -1 -0.991560 -0.163135 3.368093 Rho 0.2270467E+00 |GRAD(Rho)| 0.2092439E-13 GRAD(Rho)x -0.7505281E-14 GRAD(Rho)y -0.3147608E-14 GRAD(Rho)z -0.1927676E-13 Laplacian 0.8807246E+00 (-1/4)Del**2(Rho)) -0.2201812E+00 Diamond 0.2883448E+01 Metallicity 0.6611474E+01 Ellipticity 0.1302274E-01 Gb(Abramov) 0.3894078E+00 Vb(Abramov) -0.5586344E+00 Hb(Abramov) -0.1692266E+00 Ex_ueg -0.1022991E+00 Ec_ueg -0.1354828E-01 Delta_ex -0.1047100E+00 Delta_ec 0.1946493E-01 Delta_et -0.2677319E+00 Pxc 0.7550707E+01 Qxc -0.5379417E+01 3,-1 105 3 +1 -1.810101 0.180137 -1.582292 Rho 0.7163352E-02 |GRAD(Rho)| 0.1607493E-13 GRAD(Rho)x -0.1515553E-14 GRAD(Rho)y 0.1563131E-13 GRAD(Rho)z 0.3430526E-14 Laplacian 0.2670991E-01 (-1/4)Del**2(Rho)) -0.6677477E-02 Diamond 0.9476436E-03 Metallicity 0.6867541E+00 Ellipticity -0.1018929E+02 Gb(Abramov) 0.5215949E-02 Vb(Abramov) -0.3754421E-02 Hb(Abramov) 0.1461528E-02 Ex_ueg -0.1019859E-02 Ec_ueg -0.2411666E-03 Delta_ex -0.1389883E-02 Delta_ec 0.7764810E-03 Delta_et -0.4720487E-02 Pxc 0.4228858E+01 Qxc -0.1789977E+01 3,+1 106 3 -1 0.548152 -1.815117 -1.564913 Rho 0.4805183E-01 |GRAD(Rho)| 0.8723572E-16 GRAD(Rho)x -0.1384735E-16 GRAD(Rho)y 0.7992603E-16 GRAD(Rho)z 0.3209598E-16 Laplacian 0.1840304E+00 (-1/4)Del**2(Rho)) -0.4600761E-01 Diamond 0.8643861E-01 Metallicity 0.2378155E+01 Ellipticity 0.9046843E-02 Gb(Abramov) 0.4890727E-01 Vb(Abramov) -0.5180694E-01 Hb(Abramov) -0.2899668E-02 Ex_ueg -0.1290224E-01 Ec_ueg -0.2307473E-02 Delta_ex -0.1490901E-01 Delta_ec 0.5327194E-02 Delta_et -0.5555285E-01 Pxc 0.5591501E+01 Qxc -0.2798660E+01 3,-1 107 3 -1 -0.525995 -3.048398 1.622484 Rho 0.2044224E+00 |GRAD(Rho)| 0.3880140E-15 GRAD(Rho)x 0.2964209E-15 GRAD(Rho)y -0.1122505E-15 GRAD(Rho)z 0.2238064E-15 Laplacian 0.7786531E+00 (-1/4)Del**2(Rho)) -0.1946633E+00 Diamond 0.2257274E+01 Metallicity 0.6277934E+01 Ellipticity 0.1861469E-01 Gb(Abramov) 0.3334561E+00 Vb(Abramov) -0.4722488E+00 Hb(Abramov) -0.1387928E+00 Ex_ueg -0.8893850E-01 Ec_ueg -0.1201451E-01 Delta_ex -0.9016393E-01 Delta_ec 0.1785324E-01 Delta_et -0.2445843E+00 Pxc 0.7402589E+01 Qxc -0.5050284E+01 3,-1 108 3 -1 0.440795 -1.838275 1.610964 Rho 0.4542420E-01 |GRAD(Rho)| 0.1584020E-15 GRAD(Rho)x -0.5696905E-17 GRAD(Rho)y -0.1565723E-15 GRAD(Rho)z 0.2332009E-16 Laplacian 0.1762787E+00 (-1/4)Del**2(Rho)) -0.4406967E-01 Diamond 0.7901279E-01 Metallicity 0.2260609E+01 Ellipticity 0.1876841E-01 Gb(Abramov) 0.4598383E-01 Vb(Abramov) -0.4789799E-01 Hb(Abramov) -0.1914162E-02 Ex_ueg -0.1197020E-01 Ec_ueg -0.2163547E-02 Delta_ex -0.1419326E-01 Delta_ec 0.5307129E-02 Delta_et -0.5457797E-01 Pxc 0.5532675E+01 Qxc -0.2674377E+01 3,-1 109 3 +1 0.335442 -1.503111 2.353728 Rho 0.2858544E-01 |GRAD(Rho)| 0.5576758E-16 GRAD(Rho)x 0.3105518E-17 GRAD(Rho)y 0.5029821E-16 GRAD(Rho)z 0.2388449E-16 Laplacian 0.1132382E+00 (-1/4)Del**2(Rho)) -0.2830955E-01 Diamond 0.1740816E-01 Metallicity 0.1626279E+01 Ellipticity -0.3940540E+01 Gb(Abramov) 0.2654623E-01 Vb(Abramov) -0.2478292E-01 Hb(Abramov) 0.1763314E-02 Ex_ueg -0.6455226E-02 Ec_ueg -0.1270876E-02 Delta_ex -0.7263840E-02 Delta_ec 0.1855941E-02 Delta_et -0.1693096E-01 Pxc 0.5079353E+01 Qxc -0.3913830E+01 3,+1 110 3 -1 0.086815 -1.132207 3.526015 Rho 0.1260731E+00 |GRAD(Rho)| 0.1365359E-15 GRAD(Rho)x -0.2707287E-16 GRAD(Rho)y 0.1292505E-15 GRAD(Rho)z 0.3469045E-16 Laplacian 0.4854162E+00 (-1/4)Del**2(Rho)) -0.1213540E+00 Diamond 0.8114475E+00 Metallicity 0.4499903E+01 Ellipticity 0.3396779E-01 Gb(Abramov) 0.1719163E+00 Vb(Abramov) -0.2224785E+00 Hb(Abramov) -0.5056222E-01 Ex_ueg -0.4668906E-01 Ec_ueg -0.6929940E-02 Delta_ex -0.5013858E-01 Delta_ec 0.1313986E-01 Delta_et -0.1708393E+00 Pxc 0.6737296E+01 Qxc -0.3815763E+01 3,-1 111 3 +1 0.284317 -1.351642 -2.389127 Rho 0.2837732E-01 |GRAD(Rho)| 0.3053653E-16 GRAD(Rho)x -0.8524845E-17 GRAD(Rho)y 0.1666870E-16 GRAD(Rho)z -0.2412386E-16 Laplacian 0.1126836E+00 (-1/4)Del**2(Rho)) -0.2817089E-01 Diamond 0.1786539E-01 Metallicity 0.1614500E+01 Ellipticity -0.4958800E+01 Gb(Abramov) 0.2636091E-01 Vb(Abramov) -0.2455093E-01 Hb(Abramov) 0.1809980E-02 Ex_ueg -0.6392638E-02 Ec_ueg -0.1260215E-02 Delta_ex -0.7279671E-02 Delta_ec 0.1964134E-02 Delta_et -0.1787060E-01 Pxc 0.5072657E+01 Qxc -0.3706300E+01 3,+1 112 3 +1 1.469039 1.254730 -2.220090 Rho 0.5812517E-02 |GRAD(Rho)| 0.5622252E-16 GRAD(Rho)x 0.1418367E-16 GRAD(Rho)y -0.4769039E-16 GRAD(Rho)z -0.2618057E-16 Laplacian 0.2410568E-01 (-1/4)Del**2(Rho)) -0.6026419E-02 Diamond 0.6414551E-03 Metallicity 0.5371565E+00 Ellipticity -0.2472893E+01 Gb(Abramov) 0.4557134E-02 Vb(Abramov) -0.3087850E-02 Hb(Abramov) 0.1469285E-02 Ex_ueg -0.7718579E-03 Ec_ueg -0.1820446E-03 Delta_ex -0.1198632E-02 Delta_ec 0.6954831E-03 Delta_et -0.3976702E-02 Pxc 0.4239939E+01 Qxc -0.1723453E+01 3,+1 113 3 +3 1.106532 1.122853 -1.606834 Rho 0.4680440E-02 |GRAD(Rho)| 0.1286146E-14 GRAD(Rho)x -0.1316932E-15 GRAD(Rho)y -0.1247730E-14 GRAD(Rho)z 0.2828387E-15 Laplacian 0.1944782E-01 (-1/4)Del**2(Rho)) -0.4861956E-02 Diamond 0.1629867E-03 Metallicity 0.4640377E+00 Ellipticity -0.2936964E+00 Gb(Abramov) 0.3617326E-02 Vb(Abramov) -0.2372696E-02 Hb(Abramov) 0.1244630E-02 Ex_ueg -0.5782300E-03 Ec_ueg -0.1331869E-03 Delta_ex -0.6991907E-03 Delta_ec 0.1561270E-03 Delta_et -0.1016951E-02 Pxc 0.4341495E+01 Qxc -0.4478347E+01 3,+3 114 3 +1 1.459938 0.659159 0.904382 Rho 0.7222184E-02 |GRAD(Rho)| 0.4309887E-13 GRAD(Rho)x -0.2932878E-13 GRAD(Rho)y 0.2521445E-13 GRAD(Rho)z -0.1901490E-13 Laplacian 0.2791216E-01 (-1/4)Del**2(Rho)) -0.6978039E-02 Diamond 0.6185016E-03 Metallicity 0.6661939E+00 Ellipticity -0.1439778E+01 Gb(Abramov) 0.5426814E-02 Vb(Abramov) -0.3875589E-02 Hb(Abramov) 0.1551225E-02 Ex_ueg -0.1031042E-02 Ec_ueg -0.2437611E-03 Delta_ex -0.1237240E-02 Delta_ec 0.4227718E-03 Delta_et -0.2736524E-02 Pxc 0.4229723E+01 Qxc -0.2926496E+01 3,+1 115 3 -1 2.652976 -1.502815 -1.982331 Rho 0.1285064E+00 |GRAD(Rho)| 0.3833026E-13 GRAD(Rho)x -0.3458230E-13 GRAD(Rho)y -0.1345487E-13 GRAD(Rho)z 0.9604146E-14 Laplacian 0.5059461E+00 (-1/4)Del**2(Rho)) -0.1264865E+00 Diamond 0.8576751E+00 Metallicity 0.4457078E+01 Ellipticity 0.1962541E-01 Gb(Abramov) 0.1782844E+00 Vb(Abramov) -0.2300823E+00 Hb(Abramov) -0.5179789E-01 Ex_ueg -0.4789441E-01 Ec_ueg -0.7082167E-02 Delta_ex -0.5240377E-01 Delta_ec 0.1346484E-01 Delta_et -0.1753318E+00 Pxc 0.6762678E+01 Qxc -0.3891896E+01 3,-1 116 3 -1 3.892436 -0.735950 2.201044 Rho 0.2190701E+00 |GRAD(Rho)| 0.4728358E-13 GRAD(Rho)x -0.2488461E-13 GRAD(Rho)y 0.3842136E-13 GRAD(Rho)z 0.1184450E-13 Laplacian 0.7913421E+00 (-1/4)Del**2(Rho)) -0.1978355E+00 Diamond 0.2519117E+01 Metallicity 0.6932459E+01 Ellipticity 0.3687192E-02 Gb(Abramov) 0.3604715E+00 Vb(Abramov) -0.5231074E+00 Hb(Abramov) -0.1626360E+00 Ex_ueg -0.9753545E-01 Ec_ueg -0.1300430E-01 Delta_ex -0.9343855E-01 Delta_ec 0.1807273E-01 Delta_et -0.2497700E+00 Pxc 0.7500246E+01 Qxc -0.5170139E+01 3,-1 117 3 +1 -1.390090 -1.722332 0.086719 Rho 0.3848590E-02 |GRAD(Rho)| 0.1173570E-11 GRAD(Rho)x -0.3765686E-14 GRAD(Rho)y -0.7281950E-12 GRAD(Rho)z 0.9203179E-12 Laplacian 0.1468048E-01 (-1/4)Del**2(Rho)) -0.3670120E-02 Diamond 0.1904751E-03 Metallicity 0.4436519E+00 Ellipticity -0.1523788E+01 Gb(Abramov) 0.2718123E-02 Vb(Abramov) -0.1766125E-02 Hb(Abramov) 0.9519973E-03 Ex_ueg -0.4454380E-03 Ec_ueg -0.9770451E-04 Delta_ex -0.6283145E-03 Delta_ec 0.3438266E-03 Delta_et -0.1774628E-02 Pxc 0.4559032E+01 Qxc -0.1827417E+01 3,+1 118 3 -1 -0.793130 0.012554 0.030295 Rho 0.1345273E+00 |GRAD(Rho)| 0.8734617E-16 GRAD(Rho)x -0.8713448E-16 GRAD(Rho)y 0.5553992E-17 GRAD(Rho)z -0.2467579E-17 Laplacian 0.6601906E+00 (-1/4)Del**2(Rho)) -0.1650476E+00 Diamond 0.1415057E+01 Metallicity 0.3686617E+01 Ellipticity 0.7208457E-01 Gb(Abramov) 0.2114430E+00 Vb(Abramov) -0.2578384E+00 Hb(Abramov) -0.4639537E-01 Ex_ueg -0.5090953E-01 Ec_ueg -0.7460524E-02 Delta_ex -0.7181737E-01 Delta_ec 0.2216226E-01 Delta_et -0.3000377E+00 Pxc 0.6823855E+01 Qxc -0.3240525E+01 3,-1 119 3 -1 1.725157 -0.697194 1.637660 Rho 0.3231593E-01 |GRAD(Rho)| 0.1167902E-13 GRAD(Rho)x 0.9758581E-14 GRAD(Rho)y -0.8143189E-15 GRAD(Rho)z -0.6364463E-14 Laplacian 0.1250896E+00 (-1/4)Del**2(Rho)) -0.3127241E-01 Diamond 0.3459113E-01 Metallicity 0.1806146E+01 Ellipticity 0.5918998E-01 Gb(Abramov) 0.3026203E-01 Vb(Abramov) -0.2925165E-01 Hb(Abramov) 0.1010381E-02 Ex_ueg -0.7602222E-02 Ec_ueg -0.1463672E-02 Delta_ex -0.9207292E-02 Delta_ec 0.3677220E-02 Delta_et -0.3447824E-01 Pxc 0.5193936E+01 Qxc -0.2503873E+01 3,-1 120 3 -1 0.145222 -0.271943 -0.531799 Rho 0.1409516E+00 |GRAD(Rho)| 0.3239397E-15 GRAD(Rho)x -0.1548835E-15 GRAD(Rho)y 0.1075656E-15 GRAD(Rho)z 0.2633965E-15 Laplacian 0.7489927E+00 (-1/4)Del**2(Rho)) -0.1872482E+00 Diamond 0.1702800E+01 Metallicity 0.3512253E+01 Ellipticity 0.1237238E-01 Gb(Abramov) 0.2344426E+00 Vb(Abramov) -0.2816371E+00 Hb(Abramov) -0.4719445E-01 Ex_ueg -0.5417662E-01 Ec_ueg -0.7866829E-02 Delta_ex -0.8240377E-01 Delta_ec 0.2498324E-01 Delta_et -0.3415722E+00 Pxc 0.6886717E+01 Qxc -0.3298362E+01 3,-1 121 3 -1 0.145510 -0.276430 0.591128 Rho 0.1404236E+00 |GRAD(Rho)| 0.5036327E-15 GRAD(Rho)x -0.1295705E-15 GRAD(Rho)y -0.3928930E-16 GRAD(Rho)z -0.4850915E-15 Laplacian 0.7434278E+00 (-1/4)Del**2(Rho)) -0.1858570E+00 Diamond 0.1670241E+01 Metallicity 0.3516477E+01 Ellipticity 0.1452370E-01 Gb(Abramov) 0.2328316E+00 Vb(Abramov) -0.2798062E+00 Hb(Abramov) -0.4697463E-01 Ex_ueg -0.5390617E-01 Ec_ueg -0.7833332E-02 Delta_ex -0.8158736E-01 Delta_ec 0.2457901E-01 Delta_et -0.3354075E+00 Pxc 0.6881639E+01 Qxc -0.3319392E+01 3,-1 122 3 +1 0.131205 0.935216 1.550983 Rho 0.9577365E-02 |GRAD(Rho)| 0.6556054E-14 GRAD(Rho)x 0.1017337E-14 GRAD(Rho)y -0.4483126E-14 GRAD(Rho)z 0.4674233E-14 Laplacian 0.3804976E-01 (-1/4)Del**2(Rho)) -0.9512440E-02 Diamond 0.1108761E-02 Metallicity 0.7822363E+00 Ellipticity -0.1402771E+01 Gb(Abramov) 0.7581790E-02 Vb(Abramov) -0.5651139E-02 Hb(Abramov) 0.1930651E-02 Ex_ueg -0.1502149E-02 Ec_ueg -0.3489196E-03 Delta_ex -0.1758986E-02 Delta_ec 0.4862716E-03 Delta_et -0.3455085E-02 Pxc 0.4305145E+01 Qxc -0.3617292E+01 3,+1 123 3 -1 0.222492 -0.386007 2.416260 Rho 0.5871513E-01 |GRAD(Rho)| 0.2637960E-14 GRAD(Rho)x -0.5953968E-15 GRAD(Rho)y 0.4816030E-15 GRAD(Rho)z 0.2524361E-14 Laplacian 0.2236379E+00 (-1/4)Del**2(Rho)) -0.5590946E-01 Diamond 0.1389518E+00 Metallicity 0.2733073E+01 Ellipticity 0.1365238E-01 Gb(Abramov) 0.6274042E-01 Vb(Abramov) -0.6957137E-01 Hb(Abramov) -0.6830952E-02 Ex_ueg -0.1685460E-01 Ec_ueg -0.2901993E-02 Delta_ex -0.1909992E-01 Delta_ec 0.6525399E-02 Delta_et -0.7166089E-01 Pxc 0.5807940E+01 Qxc -0.2927011E+01 3,-1 124 3 -1 1.071963 -0.107275 3.466754 Rho 0.8365942E-01 |GRAD(Rho)| 0.3165827E-15 GRAD(Rho)x 0.3127822E-15 GRAD(Rho)y -0.4501212E-16 GRAD(Rho)z 0.1912749E-16 Laplacian 0.3346762E+00 (-1/4)Del**2(Rho)) -0.8366905E-01 Diamond 0.3329598E+00 Metallicity 0.3294932E+01 Ellipticity 0.1324959E-01 Gb(Abramov) 0.1017267E+00 Vb(Abramov) -0.1197843E+00 Hb(Abramov) -0.1805762E-01 Ex_ueg -0.2702329E-01 Ec_ueg -0.4346337E-02 Delta_ex -0.3124801E-01 Delta_ec 0.9597857E-02 Delta_et -0.1147726E+00 Pxc 0.6217486E+01 Qxc -0.3255727E+01 3,-1 125 3 -1 0.970317 -0.137503 -3.464782 Rho 0.9002116E-01 |GRAD(Rho)| 0.9228415E-13 GRAD(Rho)x -0.9087871E-13 GRAD(Rho)y 0.5724153E-14 GRAD(Rho)z -0.1498858E-13 Laplacian 0.3623637E+00 (-1/4)Del**2(Rho)) -0.9059092E-01 Diamond 0.3938383E+00 Metallicity 0.3438557E+01 Ellipticity 0.1139582E-01 Gb(Abramov) 0.1123109E+00 Vb(Abramov) -0.1340310E+00 Hb(Abramov) -0.2172003E-01 Ex_ueg -0.2979736E-01 Ec_ueg -0.4724644E-02 Delta_ex -0.3440409E-01 Delta_ec 0.1022837E-01 Delta_et -0.1242390E+00 Pxc 0.6306796E+01 Qxc -0.3363595E+01 3,-1 126 3 -1 -0.021051 0.045438 4.486179 Rho 0.2252407E+00 |GRAD(Rho)| 0.3023838E-15 GRAD(Rho)x -0.9161508E-17 GRAD(Rho)y -0.1757763E-16 GRAD(Rho)z -0.3017335E-15 Laplacian 0.8490166E+00 (-1/4)Del**2(Rho)) -0.2122541E+00 Diamond 0.2773357E+01 Metallicity 0.6767710E+01 Ellipticity 0.1952178E-01 Gb(Abramov) 0.3809152E+00 Vb(Abramov) -0.5495762E+00 Hb(Abramov) -0.1686610E+00 Ex_ueg -0.1012156E+00 Ec_ueg -0.1342481E-01 Delta_ex -0.1008484E+00 Delta_ec 0.1901774E-01 Delta_et -0.2623594E+00 Pxc 0.7539442E+01 Qxc -0.5302858E+01 3,-1 127 3 -1 -0.034420 0.859824 -3.185820 Rho 0.1397032E+00 |GRAD(Rho)| 0.1195608E-15 GRAD(Rho)x -0.3391859E-16 GRAD(Rho)y -0.9142535E-16 GRAD(Rho)z -0.6917887E-16 Laplacian 0.5773250E+00 (-1/4)Del**2(Rho)) -0.1443312E+00 Diamond 0.1081962E+01 Metallicity 0.4489556E+01 Ellipticity 0.7869456E-02 Gb(Abramov) 0.2042180E+00 Vb(Abramov) -0.2641048E+00 Hb(Abramov) -0.5988677E-01 Ex_ueg -0.5353775E-01 Ec_ueg -0.7787664E-02 Delta_ex -0.6101536E-01 Delta_ec 0.1505905E-01 Delta_et -0.1987245E+00 Pxc 0.6874687E+01 Qxc -0.4051740E+01 3,-1 128 3 -1 1.694389 -0.583601 -1.585604 Rho 0.3753061E-01 |GRAD(Rho)| 0.3776120E-14 GRAD(Rho)x 0.3668182E-14 GRAD(Rho)y 0.2795957E-15 GRAD(Rho)z -0.8516762E-15 Laplacian 0.1378753E+00 (-1/4)Del**2(Rho)) -0.3446883E-01 Diamond 0.4488689E-01 Metallicity 0.2102662E+01 Ellipticity 0.5010671E-01 Gb(Abramov) 0.3505860E-01 Vb(Abramov) -0.3564837E-01 Hb(Abramov) -0.5897712E-03 Ex_ueg -0.9280384E-02 Ec_ueg -0.1738199E-02 Delta_ex -0.1041228E-01 Delta_ec 0.3841723E-02 Delta_et -0.3750705E-01 Pxc 0.5339080E+01 Qxc -0.2710314E+01 3,-1 129 3 +1 1.411972 -0.450820 2.298183 Rho 0.2434023E-01 |GRAD(Rho)| 0.4739108E-16 GRAD(Rho)x -0.1478637E-17 GRAD(Rho)y 0.2691289E-16 GRAD(Rho)z 0.3897980E-16 Laplacian 0.9364516E-01 (-1/4)Del**2(Rho)) -0.2341129E-01 Diamond 0.1231853E-01 Metallicity 0.1504304E+01 Ellipticity -0.5175340E+01 Gb(Abramov) 0.2147714E-01 Vb(Abramov) -0.1954300E-01 Hb(Abramov) 0.1934146E-02 Ex_ueg -0.5209764E-02 Ec_ueg -0.1055554E-02 Delta_ex -0.5840591E-02 Delta_ec 0.1692267E-02 Delta_et -0.1481450E-01 Pxc 0.4935575E+01 Qxc -0.3451342E+01 3,+1 130 3 +1 1.177027 -0.394236 -2.402081 Rho 0.2578165E-01 |GRAD(Rho)| 0.1668007E-16 GRAD(Rho)x 0.4279645E-17 GRAD(Rho)y -0.3386565E-17 GRAD(Rho)z 0.1576199E-16 Laplacian 0.1003133E+00 (-1/4)Del**2(Rho)) -0.2507832E-01 Diamond 0.1411522E-01 Metallicity 0.1545632E+01 Ellipticity -0.4971624E+01 Gb(Abramov) 0.2317918E-01 Vb(Abramov) -0.2128005E-01 Hb(Abramov) 0.1899131E-02 Ex_ueg -0.5625132E-02 Ec_ueg -0.1128149E-02 Delta_ex -0.6335046E-02 Delta_ec 0.1781758E-02 Delta_et -0.1582982E-01 Pxc 0.4986160E+01 Qxc -0.3555503E+01 3,+1 131 3 -1 3.059670 -0.720500 -0.888415 Rho 0.1433671E+00 |GRAD(Rho)| 0.1047500E-13 GRAD(Rho)x 0.8282339E-14 GRAD(Rho)y -0.6412893E-14 GRAD(Rho)z -0.5789640E-16 Laplacian 0.6053669E+00 (-1/4)Del**2(Rho)) -0.1513417E+00 Diamond 0.1160407E+01 Metallicity 0.4470373E+01 Ellipticity 0.8693482E-02 Gb(Abramov) 0.2136535E+00 Vb(Abramov) -0.2759652E+00 Hb(Abramov) -0.6231174E-01 Ex_ueg -0.5541803E-01 Ec_ueg -0.8020275E-02 Delta_ex -0.6427819E-01 Delta_ec 0.1550355E-01 Delta_et -0.2049915E+00 Pxc 0.6909742E+01 Qxc -0.4146030E+01 3,-1 132 3 -1 3.083637 -0.818050 0.897613 Rho 0.1244226E+00 |GRAD(Rho)| 0.2730980E-15 GRAD(Rho)x 0.4957176E-16 GRAD(Rho)y 0.3461824E-16 GRAD(Rho)z -0.2663207E-15 Laplacian 0.5200739E+00 (-1/4)Del**2(Rho)) -0.1300185E+00 Diamond 0.8353811E+00 Metallicity 0.4108787E+01 Ellipticity 0.1204738E-01 Gb(Abramov) 0.1757153E+00 Vb(Abramov) -0.2214122E+00 Hb(Abramov) -0.4569687E-01 Ex_ueg -0.4587585E-01 Ec_ueg -0.6826910E-02 Delta_ex -0.5328972E-01 Delta_ec 0.1365735E-01 Delta_et -0.1763740E+00 Pxc 0.6719855E+01 Qxc -0.3901909E+01 3,-1 133 3 -1 3.834382 -0.554318 -2.211511 Rho 0.2326262E+00 |GRAD(Rho)| 0.1479645E-15 GRAD(Rho)x -0.8608565E-16 GRAD(Rho)y -0.5751693E-16 GRAD(Rho)z -0.1057097E-15 Laplacian 0.8487835E+00 (-1/4)Del**2(Rho)) -0.2121959E+00 Diamond 0.2895764E+01 Metallicity 0.7143547E+01 Ellipticity 0.6189741E-02 Gb(Abramov) 0.3941024E+00 Vb(Abramov) -0.5760090E+00 Hb(Abramov) -0.1819066E+00 Ex_ueg -0.1056647E+00 Ec_ueg -0.1393087E-01 Delta_ex -0.1017443E+00 Delta_ec 0.1896801E-01 Delta_et -0.2626165E+00 Pxc 0.7584930E+01 Qxc -0.5363998E+01 3,-1 134 3 -1 -1.978405 0.905393 -0.796049 Rho 0.3109820E-01 |GRAD(Rho)| 0.4224006E-13 GRAD(Rho)x 0.1947835E-13 GRAD(Rho)y 0.3400403E-13 GRAD(Rho)z -0.1576523E-13 Laplacian 0.9579581E-01 (-1/4)Del**2(Rho)) -0.2394895E-01 Diamond 0.3659406E-01 Metallicity 0.2212205E+01 Ellipticity 0.1550195E-01 Gb(Abramov) 0.2479597E-01 Vb(Abramov) -0.2564298E-01 Hb(Abramov) -0.8470136E-03 Ex_ueg -0.7222685E-02 Ec_ueg -0.1400391E-02 Delta_ex -0.7914982E-02 Delta_ec 0.4476504E-02 Delta_et -0.4147464E-01 Pxc 0.5157618E+01 Qxc -0.1768117E+01 3,-1 135 3 +1 -2.062444 1.854113 -0.028316 Rho 0.7300695E-02 |GRAD(Rho)| 0.2413803E-12 GRAD(Rho)x -0.1268363E-12 GRAD(Rho)y -0.1124102E-12 GRAD(Rho)z 0.1718748E-12 Laplacian 0.2903289E-01 (-1/4)Del**2(Rho)) -0.7258222E-02 Diamond 0.8855921E-03 Metallicity 0.6521236E+00 Ellipticity -0.2043912E+01 Gb(Abramov) 0.5627691E-02 Vb(Abramov) -0.3997160E-02 Hb(Abramov) 0.1630531E-02 Ex_ueg -0.1046014E-02 Ec_ueg -0.2472262E-03 Delta_ex -0.1420805E-02 Delta_ec 0.6726763E-03 Delta_et -0.4182838E-02 Pxc 0.4230999E+01 Qxc -0.2112167E+01 3,+1 136 3 -1 -2.071366 1.195252 0.956767 Rho 0.3979451E-01 |GRAD(Rho)| 0.4189456E-13 GRAD(Rho)x 0.3088767E-13 GRAD(Rho)y 0.2740929E-13 GRAD(Rho)z 0.7059525E-14 Laplacian 0.1160617E+00 (-1/4)Del**2(Rho)) -0.2901543E-01 Diamond 0.6391900E-01 Metallicity 0.2753992E+01 Ellipticity 0.3312901E-01 Gb(Abramov) 0.3266167E-01 Vb(Abramov) -0.3630790E-01 Hb(Abramov) -0.3646234E-02 Ex_ueg -0.1003420E-01 Ec_ueg -0.1859050E-02 Delta_ex -0.1023845E-01 Delta_ec 0.5632044E-02 Delta_et -0.5613655E-01 Pxc 0.5397486E+01 Qxc -0.1817892E+01 3,-1 137 3 -1 -2.136772 1.558707 -1.321672 Rho 0.3212172E+00 |GRAD(Rho)| 0.4305778E-10 GRAD(Rho)x 0.3680660E-10 GRAD(Rho)y 0.2211990E-10 GRAD(Rho)z -0.3155405E-11 Laplacian -0.1647969E+01 (-1/4)Del**2(Rho)) 0.4119923E+00 Diamond 0.5782915E+01 Metallicity -0.6299827E+01 Ellipticity 0.1969903E-02 Gb(Abramov) 0.1579185E+00 Vb(Abramov) -0.7278294E+00 Hb(Abramov) -0.5699108E+00 Ex_ueg -0.1624738E+00 Ec_ueg -0.2023455E-01 Delta_ex 0.1643644E+00 Delta_ec 0.5747815E-01 Delta_et -0.1366604E+01 Pxc 0.8029526E+01 Qxc 0.2859597E+01 3,-1 138 3 -1 -2.065648 2.191202 -0.028040 Rho 0.7513351E-02 |GRAD(Rho)| 0.1398999E-11 GRAD(Rho)x -0.7644430E-12 GRAD(Rho)y -0.4739835E-12 GRAD(Rho)z 0.1071524E-11 Laplacian 0.2932788E-01 (-1/4)Del**2(Rho)) -0.7331969E-02 Diamond 0.1273502E-02 Metallicity 0.6772079E+00 Ellipticity 0.7964315E+00 Gb(Abramov) 0.5715524E-02 Vb(Abramov) -0.4099079E-02 Hb(Abramov) 0.1616445E-02 Ex_ueg -0.1086834E-02 Ec_ueg -0.2566259E-03 Delta_ex -0.1629810E-02 Delta_ec 0.1010382E-02 Delta_et -0.6165142E-02 Pxc 0.4235091E+01 Qxc -0.1613063E+01 3,-1 139 3 +1 -1.869137 0.474587 1.788944 Rho 0.6518433E-02 |GRAD(Rho)| 0.1202206E-16 GRAD(Rho)x 0.2591487E-17 GRAD(Rho)y -0.6226923E-17 GRAD(Rho)z 0.9951865E-17 Laplacian 0.2485347E-01 (-1/4)Del**2(Rho)) -0.6213367E-02 Diamond 0.6812547E-03 Metallicity 0.6306642E+00 Ellipticity -0.2199347E+01 Gb(Abramov) 0.4795336E-02 Vb(Abramov) -0.3377305E-02 Hb(Abramov) 0.1418031E-02 Ex_ueg -0.8993098E-03 Ec_ueg -0.2128312E-03 Delta_ex -0.1206153E-02 Delta_ec 0.6116800E-03 Delta_et -0.3662972E-02 Pxc 0.4225460E+01 Qxc -0.1971868E+01 3,+1 140 3 -1 -1.326870 2.670672 -1.631725 Rho 0.1403020E+00 |GRAD(Rho)| 0.3774311E-12 GRAD(Rho)x 0.3044522E-12 GRAD(Rho)y 0.2137291E-12 GRAD(Rho)z -0.6389775E-13 Laplacian 0.5369904E+00 (-1/4)Del**2(Rho)) -0.1342476E+00 Diamond 0.1019034E+01 Metallicity 0.4861308E+01 Ellipticity 0.9799276E-01 Gb(Abramov) 0.1982682E+00 Vb(Abramov) -0.2622889E+00 Hb(Abramov) -0.6402062E-01 Ex_ueg -0.5384395E-01 Ec_ueg -0.7825623E-02 Delta_ex -0.5689301E-01 Delta_ec 0.1413783E-01 Delta_et -0.1869908E+00 Pxc 0.6880468E+01 Qxc -0.4024168E+01 3,-1 141 3 -1 0.561132 3.346259 -1.514774 Rho 0.1583953E+00 |GRAD(Rho)| 0.7199572E-12 GRAD(Rho)x -0.6969384E-12 GRAD(Rho)y -0.7194362E-13 GRAD(Rho)z -0.1656483E-12 Laplacian 0.6245865E+00 (-1/4)Del**2(Rho)) -0.1561466E+00 Diamond 0.1349795E+01 Metallicity 0.5115929E+01 Ellipticity 0.5355625E-01 Gb(Abramov) 0.2372369E+00 Vb(Abramov) -0.3183272E+00 Hb(Abramov) -0.8109030E-01 Ex_ueg -0.6329580E-01 Ec_ueg -0.8983084E-02 Delta_ex -0.6796819E-01 Delta_ec 0.1560800E-01 Delta_et -0.2092378E+00 Pxc 0.7046110E+01 Qxc -0.4354703E+01 3,-1 142 3 -1 -0.724724 3.560708 0.772897 Rho 0.1296875E+00 |GRAD(Rho)| 0.2546173E-12 GRAD(Rho)x 0.2443017E-13 GRAD(Rho)y -0.1121516E-12 GRAD(Rho)z 0.2272777E-12 Laplacian 0.5036389E+00 (-1/4)Del**2(Rho)) -0.1259097E+00 Diamond 0.8646874E+00 Metallicity 0.4546295E+01 Ellipticity 0.3586995E-01 Gb(Abramov) 0.1793436E+00 Vb(Abramov) -0.2327775E+00 Hb(Abramov) -0.5343388E-01 Ex_ueg -0.4848224E-01 Ec_ueg -0.7156199E-02 Delta_ex -0.5229757E-01 Delta_ec 0.1340645E-01 Delta_et -0.1748949E+00 Pxc 0.6774859E+01 Qxc -0.3900927E+01 3,-1 143 3 -1 0.446560 3.318166 1.500666 Rho 0.9695607E-01 |GRAD(Rho)| 0.2027333E-12 GRAD(Rho)x -0.1948318E-12 GRAD(Rho)y -0.2840522E-13 GRAD(Rho)z 0.4831651E-13 Laplacian 0.3847040E+00 (-1/4)Del**2(Rho)) -0.9617601E-01 Diamond 0.4580224E+00 Metallicity 0.3665316E+01 Ellipticity 0.1131703E-01 Gb(Abramov) 0.1228699E+00 Vb(Abramov) -0.1495638E+00 Hb(Abramov) -0.2669390E-01 Ex_ueg -0.3289665E-01 Ec_ueg -0.5141033E-02 Delta_ex -0.3716999E-01 Delta_ec 0.1070744E-01 Delta_et -0.1320788E+00 Pxc 0.6398841E+01 Qxc -0.3471417E+01 3,-1 144 3 -1 2.695032 1.887477 0.748901 Rho 0.1787681E+00 |GRAD(Rho)| 0.1607288E-13 GRAD(Rho)x -0.9711511E-14 GRAD(Rho)y -0.1205991E-13 GRAD(Rho)z 0.4310761E-14 Laplacian 0.7396893E+00 (-1/4)Del**2(Rho)) -0.1849223E+00 Diamond 0.1831383E+01 Metallicity 0.5285029E+01 Ellipticity 0.3262476E-01 Gb(Abramov) 0.2861682E+00 Vb(Abramov) -0.3874140E+00 Hb(Abramov) -0.1012459E+00 Ex_ueg -0.7437698E-01 Ec_ueg -0.1030987E-01 Delta_ex -0.8282651E-01 Delta_ec 0.1767531E-01 Delta_et -0.2396368E+00 Pxc 0.7214151E+01 Qxc -0.4686000E+01 3,-1 145 3 -1 2.649472 1.915711 -0.644341 Rho 0.1253489E+00 |GRAD(Rho)| 0.1483591E-13 GRAD(Rho)x -0.8592360E-14 GRAD(Rho)y -0.1117830E-13 GRAD(Rho)z -0.4617482E-14 Laplacian 0.5226783E+00 (-1/4)Del**2(Rho)) -0.1306696E+00 Diamond 0.8597040E+00 Metallicity 0.4139166E+01 Ellipticity 0.6377062E-02 Gb(Abramov) 0.1772569E+00 Vb(Abramov) -0.2238442E+00 Hb(Abramov) -0.4658731E-01 Ex_ueg -0.4633178E-01 Ec_ueg -0.6884708E-02 Delta_ex -0.5381187E-01 Delta_ec 0.1398678E-01 Delta_et -0.1813591E+00 Pxc 0.6729665E+01 Qxc -0.3847338E+01 3,-1 146 3 -1 3.220462 3.146826 0.081943 Rho 0.2311897E+00 |GRAD(Rho)| 0.4753797E-15 GRAD(Rho)x 0.3396805E-15 GRAD(Rho)y 0.3255859E-15 GRAD(Rho)z -0.6779991E-16 Laplacian 0.8618652E+00 (-1/4)Del**2(Rho)) -0.2154663E+00 Diamond 0.2905896E+01 Metallicity 0.6962865E+01 Ellipticity 0.3084793E-02 Gb(Abramov) 0.3936880E+00 Vb(Abramov) -0.5719097E+00 Hb(Abramov) -0.1782217E+00 Ex_ueg -0.1047956E+00 Ec_ueg -0.1383221E-01 Delta_ex -0.1030753E+00 Delta_ec 0.1916863E-01 Delta_et -0.2647902E+00 Pxc 0.7576201E+01 Qxc -0.5377292E+01 3,-1 147 3 -1 1.327354 2.090746 0.070965 Rho 0.5026647E-01 |GRAD(Rho)| 0.2881158E-14 GRAD(Rho)x -0.5330632E-15 GRAD(Rho)y 0.2182291E-14 GRAD(Rho)z -0.1804029E-14 Laplacian 0.1928042E+00 (-1/4)Del**2(Rho)) -0.4820105E-01 Diamond 0.9661239E-01 Metallicity 0.2446963E+01 Ellipticity 0.1500718E-01 Gb(Abramov) 0.5179173E-01 Vb(Abramov) -0.5538241E-01 Hb(Abramov) -0.3590680E-02 Ex_ueg -0.1370113E-01 Ec_ueg -0.2429609E-02 Delta_ex -0.1581295E-01 Delta_ec 0.5604430E-02 Delta_et -0.5913912E-01 Pxc 0.5639231E+01 Qxc -0.2821510E+01 3,-1 148 3 -1 0.781044 -3.139521 -0.853574 Rho 0.1469962E+00 |GRAD(Rho)| 0.4188672E-12 GRAD(Rho)x 0.7054420E-13 GRAD(Rho)y -0.5043264E-13 GRAD(Rho)z 0.4097924E-12 Laplacian 0.6112973E+00 (-1/4)Del**2(Rho)) -0.1528243E+00 Diamond 0.1208829E+01 Metallicity 0.4615347E+01 Ellipticity 0.1697303E-01 Gb(Abramov) 0.2194391E+00 Vb(Abramov) -0.2860539E+00 Hb(Abramov) -0.6661478E-01 Ex_ueg -0.5729632E-01 Ec_ueg -0.8251508E-02 Delta_ex -0.6532004E-01 Delta_ec 0.1558372E-01 Delta_et -0.2068505E+00 Pxc 0.6943739E+01 Qxc -0.4191556E+01 3,-1 149 3 -1 2.708127 -1.645168 2.015055 Rho 0.1757339E+00 |GRAD(Rho)| 0.5695997E-15 GRAD(Rho)x -0.2368169E-15 GRAD(Rho)y 0.4241399E-15 GRAD(Rho)z 0.2974339E-15 Laplacian 0.6720320E+00 (-1/4)Del**2(Rho)) -0.1680080E+00 Diamond 0.1637542E+01 Metallicity 0.5653478E+01 Ellipticity 0.5946067E-01 Gb(Abramov) 0.2703102E+00 Vb(Abramov) -0.3726125E+00 Hb(Abramov) -0.1023023E+00 Ex_ueg -0.7269854E-01 Ec_ueg -0.1011073E-01 Delta_ex -0.7498755E-01 Delta_ec 0.1623974E-01 Delta_et -0.2201014E+00 Pxc 0.7190236E+01 Qxc -0.4617535E+01 3,-1 150 3 +1 0.915561 2.560481 -0.607341 Rho 0.2747901E-01 |GRAD(Rho)| 0.1174191E-09 GRAD(Rho)x -0.1069576E-09 GRAD(Rho)y -0.5603269E-11 GRAD(Rho)z -0.4812405E-10 Laplacian 0.1060262E+00 (-1/4)Del**2(Rho)) -0.2650654E-01 Diamond 0.1543184E-01 Metallicity 0.1626305E+01 Ellipticity -0.3987852E+01 Gb(Abramov) 0.2485565E-01 Vb(Abramov) -0.2320475E-01 Hb(Abramov) 0.1650896E-02 Ex_ueg -0.6124254E-02 Ec_ueg -0.1214321E-02 Delta_ex -0.6728607E-02 Delta_ec 0.1737033E-02 Delta_et -0.1569904E-01 Pxc 0.5043358E+01 Qxc -0.3873620E+01 3,+1 151 3 -1 2.415095 -0.318094 -2.713307 Rho 0.1730306E+00 |GRAD(Rho)| 0.6277714E-15 GRAD(Rho)x 0.1713582E-15 GRAD(Rho)y -0.6714600E-16 GRAD(Rho)z 0.6001872E-15 Laplacian 0.6762037E+00 (-1/4)Del**2(Rho)) -0.1690509E+00 Diamond 0.1622509E+01 Metallicity 0.5475292E+01 Ellipticity 0.4835719E-01 Gb(Abramov) 0.2669678E+00 Vb(Abramov) -0.3648847E+00 Hb(Abramov) -0.9791690E-01 Ex_ueg -0.7121133E-01 Ec_ueg -0.9933763E-02 Delta_ex -0.7520271E-01 Delta_ec 0.1648328E-01 Delta_et -0.2232428E+00 Pxc 0.7168615E+01 Qxc -0.4562364E+01 3,-1 152 3 -1 2.505579 -0.396122 2.712464 Rho 0.1687654E+00 |GRAD(Rho)| 0.1387497E-13 GRAD(Rho)x 0.8468459E-14 GRAD(Rho)y -0.5269683E-14 GRAD(Rho)z -0.9645225E-14 Laplacian 0.6385627E+00 (-1/4)Del**2(Rho)) -0.1596407E+00 Diamond 0.1485810E+01 Metallicity 0.5561798E+01 Ellipticity 0.4993687E-01 Gb(Abramov) 0.2544087E+00 Vb(Abramov) -0.3491767E+00 Hb(Abramov) -0.9476799E-01 Ex_ueg -0.6888049E-01 Ec_ueg -0.9655400E-02 Delta_ex -0.7056476E-01 Delta_ec 0.1564948E-01 Delta_et -0.2112992E+00 Pxc 0.7133882E+01 Qxc -0.4509081E+01 3,-1 153 3 -1 -0.160653 0.004329 -4.460668 Rho 0.2268535E+00 |GRAD(Rho)| 0.4462868E-14 GRAD(Rho)x -0.4104654E-14 GRAD(Rho)y 0.3512137E-15 GRAD(Rho)z -0.1716292E-14 Laplacian 0.8498226E+00 (-1/4)Del**2(Rho)) -0.2124556E+00 Diamond 0.2803008E+01 Metallicity 0.6842172E+01 Ellipticity 0.1912584E-01 Gb(Abramov) 0.3839134E+00 Vb(Abramov) -0.5553712E+00 Hb(Abramov) -0.1714578E+00 Ex_ueg -0.1021831E+00 Ec_ueg -0.1353507E-01 Delta_ex -0.1011490E+00 Delta_ec 0.1902820E-01 Delta_et -0.2627238E+00 Pxc 0.7549506E+01 Qxc -0.5315739E+01 3,-1 154 3 -1 0.050235 0.689554 0.030697 Rho 0.1346869E+00 |GRAD(Rho)| 0.3460304E-12 GRAD(Rho)x -0.6992864E-13 GRAD(Rho)y -0.3384097E-12 GRAD(Rho)z 0.1805348E-13 Laplacian 0.6961448E+00 (-1/4)Del**2(Rho)) -0.1740362E+00 Diamond 0.1488082E+01 Metallicity 0.3503127E+01 Ellipticity 0.1568222E-02 Gb(Abramov) 0.2176359E+00 Vb(Abramov) -0.2612357E+00 Hb(Abramov) -0.4359974E-01 Ex_ueg -0.5099006E-01 Ec_ueg -0.7470584E-02 Delta_ex -0.7567811E-01 Delta_ec 0.2323663E-01 Delta_et -0.3144655E+00 Pxc 0.6825445E+01 Qxc -0.3256845E+01 3,-1 155 3 -1 0.024306 0.878812 3.195834 Rho 0.1399370E+00 |GRAD(Rho)| 0.2369836E-13 GRAD(Rho)x -0.1942650E-14 GRAD(Rho)y -0.2160544E-13 GRAD(Rho)z 0.9541664E-14 Laplacian 0.5780901E+00 (-1/4)Del**2(Rho)) -0.1445225E+00 Diamond 0.1085221E+01 Metallicity 0.4496128E+01 Ellipticity 0.5790396E-02 Gb(Abramov) 0.2046470E+00 Vb(Abramov) -0.2647714E+00 Hb(Abramov) -0.6012445E-01 Ex_ueg -0.5365727E-01 Ec_ueg -0.7802483E-02 Delta_ex -0.6111719E-01 Delta_ec 0.1506600E-01 Delta_et -0.1988529E+00 Pxc 0.6876947E+01 Qxc -0.4056631E+01 3,-1 156 3 -1 -0.641448 3.606769 -0.803818 Rho 0.1458896E+00 |GRAD(Rho)| 0.4225468E-15 GRAD(Rho)x -0.9816773E-16 GRAD(Rho)y 0.2314365E-15 GRAD(Rho)z 0.3396263E-15 Laplacian 0.5664324E+00 (-1/4)Del**2(Rho)) -0.1416081E+00 Diamond 0.1115264E+01 Metallicity 0.4918570E+01 Ellipticity 0.4609055E-01 Gb(Abramov) 0.2104903E+00 Vb(Abramov) -0.2793725E+00 Hb(Abramov) -0.6888219E-01 Ex_ueg -0.5672190E-01 Ec_ueg -0.8180909E-02 Delta_ex -0.6046856E-01 Delta_ec 0.1456431E-01 Delta_et -0.1933260E+00 Pxc 0.6933447E+01 Qxc -0.4151833E+01 3,-1 157 3 -1 -0.641292 3.856534 -2.306299 Rho 0.2359275E+00 |GRAD(Rho)| 0.4008759E-12 GRAD(Rho)x 0.9353317E-13 GRAD(Rho)y -0.2930852E-12 GRAD(Rho)z 0.2570099E-12 Laplacian 0.8804225E+00 (-1/4)Del**2(Rho)) -0.2201056E+00 Diamond 0.3036868E+01 Metallicity 0.7050494E+01 Ellipticity 0.3449240E-02 Gb(Abramov) 0.4053793E+00 Vb(Abramov) -0.5906530E+00 Hb(Abramov) -0.1852737E+00 Ex_ueg -0.1076688E+00 Ec_ueg -0.1415805E-01 Delta_ex -0.1058257E+00 Delta_ec 0.1941701E-01 Delta_et -0.2682271E+00 Pxc 0.7604776E+01 Qxc -0.5450155E+01 3,-1 158 3 -1 -0.800051 3.780323 2.283585 Rho 0.2283279E+00 |GRAD(Rho)| 0.8282769E-11 GRAD(Rho)x -0.1635927E-11 GRAD(Rho)y 0.6251777E-11 GRAD(Rho)z 0.5181050E-11 Laplacian 0.8582982E+00 (-1/4)Del**2(Rho)) -0.2145745E+00 Diamond 0.2846582E+01 Metallicity 0.6848150E+01 Ellipticity 0.1261426E-01 Gb(Abramov) 0.3879561E+00 Vb(Abramov) -0.5613377E+00 Hb(Abramov) -0.1733816E+00 Ex_ueg -0.1030695E+00 Ec_ueg -0.1363599E-01 Delta_ex -0.1022926E+00 Delta_ec 0.1911559E-01 Delta_et -0.2637345E+00 Pxc 0.7558642E+01 Qxc -0.5351269E+01 3,-1 159 3 -1 -1.448672 2.597561 1.597448 Rho 0.2146157E+00 |GRAD(Rho)| 0.6910002E-15 GRAD(Rho)x 0.6650496E-15 GRAD(Rho)y 0.1796523E-15 GRAD(Rho)z 0.5399327E-16 Laplacian 0.8323618E+00 (-1/4)Del**2(Rho)) -0.2080904E+00 Diamond 0.2551300E+01 Metallicity 0.6368983E+01 Ellipticity 0.3131786E-01 Gb(Abramov) 0.3596144E+00 Vb(Abramov) -0.5111383E+00 Hb(Abramov) -0.1515239E+00 Ex_ueg -0.9490016E-01 Ec_ueg -0.1270205E-01 Delta_ex -0.9755437E-01 Delta_ec 0.1874795E-01 Delta_et -0.2573551E+00 Pxc 0.7471251E+01 Qxc -0.5203469E+01 3,-1 160 3 -1 -1.998469 0.510326 0.540850 Rho 0.3124805E+00 |GRAD(Rho)| 0.3067019E-12 GRAD(Rho)x -0.2546182E-12 GRAD(Rho)y -0.1697190E-12 GRAD(Rho)z 0.2076194E-13 Laplacian -0.1572433E+01 (-1/4)Del**2(Rho)) 0.3931081E+00 Diamond 0.5336392E+01 Metallicity -0.6305885E+01 Ellipticity 0.4395256E-02 Gb(Abramov) 0.1510770E+00 Vb(Abramov) -0.6952622E+00 Hb(Abramov) -0.5441852E+00 Ex_ueg -0.1566086E+00 Ec_ueg -0.1959361E-01 Delta_ex 0.1551470E+00 Delta_ec 0.5483400E-01 Delta_et -0.1289065E+01 Pxc 0.7992841E+01 Qxc 0.2829393E+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 69 106 148 73 80 72 78 153 67 159 61 142 143 158 119 132 91 149 152 116 102 127 103 125 68 146 147 145 144 89 90 126 123 104 155 110 124 108 107 71 76 70 79 128 93 131 151 115 133 65 64 140 157 141 156 120 58 98 118 160 134 154 121 77 62 59 138 57 137 136 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 14 14 14 14 15 16 17 18 19 21 21 21 23 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 19 28 36 45 46 36 36 47 20 23 23 28 46 45 2.396390 1.921964 1.964091 1.927127 1.918866 1.753882 1.764640 2.354812 1.785932 1.942870 1.982726 2.101587 1.761906 2.551306 1.963655 2.097215 1.838388 1.855970 1.751771 2.353234 1.941009 1.764424 2.131061 2.006008 1.757271 2.378546 1.985292 1.846388 2.031847 1.880362 1.767342 2.313526 1.763874 1.940641 1.995126 2.160053 2.401832 1.779359 1.971778 1.929454 2.181156 1.754725 2.509810 1.902645 1.931372 1.870026 1.985279 1.755363 2.405953 1.946586 1.956743 1.749054 1.903166 1.936853 1.647195 3.220187 3.116640 1.674807 1.004049 1.887203 1.666183 1.649368 1.746596 3.223601 2.987020 3.124281 2.929446 0.993259 1.760940 2.397082 1.922566 1.965036 1.927653 1.919447 1.753889 1.764659 2.355412 1.786039 1.943261 1.983239 2.102025 1.761922 2.551808 1.964348 2.097745 1.838759 1.856527 1.751804 2.353963 1.941314 1.764479 2.131541 2.006564 1.757281 2.379208 1.985634 1.846817 2.032270 1.880767 1.767356 2.314226 1.763913 1.941017 1.995629 2.160584 2.402507 1.779503 1.972294 1.930147 2.181822 1.754757 2.510324 1.903112 1.931870 1.870442 1.985756 1.755373 2.406722 1.947083 1.958110 1.749059 1.903661 1.937347 1.647211 3.343342 3.171186 1.675048 1.004196 1.897195 1.666190 1.649383 1.750174 3.226375 2.992600 3.136003 3.006455 0.993338 1.769755 27 26 23 25 24 21 22 27 22 27 24 25 23 29 27 25 22 22 21 30 23 23 27 24 21 27 23 25 25 25 23 27 23 23 23 27 27 23 24 23 25 22 29 25 25 22 23 22 31 29 23 21 23 23 20 36 35 24 20 26 22 22 23 35 33 33 34 22 28 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 W O W Mo W W W O O Mo W W O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H H 2.4207 -0.8644 2.3481 2.2356 2.3605 2.4477 2.3250 -0.8489 -0.8672 2.2071 2.4143 2.4180 -1.1523 -0.8493 -1.1636 -1.1391 -0.8091 -0.9800 -0.8209 -0.9705 -0.8072 -0.9482 -0.8607 -0.9541 -0.9857 -0.8240 -0.9324 -0.8221 -0.9807 -0.8295 -0.9814 -0.9673 -0.9850 -0.9857 -0.9044 2.2287 -0.7832 -0.9249 -0.9923 -0.9858 -0.8378 -0.8498 -0.8598 -0.7893 0.2872 0.2781 0.2854 2.1129 1.9530 2.1319 1.9711 2.1305 2.0976 2.1425 1.9551 1.9524 1.9784 2.1048 2.1170 1.8963 1.8667 1.8956 1.8975 1.9665 1.9275 1.9578 1.9309 1.8729 1.9322 1.9551 1.9333 1.9290 1.8743 1.9361 1.9582 1.9408 1.9585 1.9394 1.9427 1.9377 1.9372 1.9494 2.3324 1.9637 1.9477 1.9391 1.9405 1.9559 1.9559 1.9538 1.9644 0.5636 0.5766 0.5574 6.1093 4.8800 6.1188 6.1105 6.1125 6.0887 6.1212 4.8614 4.8838 6.1215 6.1034 6.1071 5.2282 4.9475 5.2386 5.2139 4.8126 5.0235 4.8308 5.0097 4.9043 4.9895 4.8731 4.9931 5.0272 4.9195 4.9674 4.8315 5.0105 4.8375 5.0112 4.9953 5.0159 5.0170 4.9277 6.8576 4.7903 4.9500 5.0224 5.0155 4.8491 4.8612 4.8744 4.7953 0.1492 0.1454 0.1572 3.3274 0.0313 3.3719 3.6828 3.3675 3.3361 3.3822 0.0324 0.0310 3.6931 3.3476 3.3284 0.0278 0.0350 0.0294 0.0277 0.0300 0.0289 0.0323 0.0299 0.0300 0.0265 0.0325 0.0278 0.0295 0.0302 0.0289 0.0324 0.0294 0.0335 0.0308 0.0293 0.0314 0.0315 0.0274 0.5814 0.0292 0.0271 0.0308 0.0298 0.0328 0.0327 0.0316 0.0297 0.0000 0.0000 0.0000 14.0297 0.0000 14.0293 0.0000 14.0290 14.0299 14.0291 0.0000 0.0000 0.0000 14.0299 14.0294 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 W O W Mo W W W O O Mo W W O O O O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O H H H 2.508940 -0.917418 2.475828 3.160635 2.477336 2.499329 2.475363 -0.896865 -0.920125 3.148135 2.496826 2.506117 -1.054472 -0.573963 -1.061912 -1.126769 -0.991466 -0.988201 -0.878143 -0.983087 -0.645943 -1.104356 -0.839484 -1.087340 -0.992333 -0.662710 -1.051156 -0.868863 -0.989438 -0.871355 -0.978170 -1.105695 -0.982654 -0.984652 -1.182421 1.784627 -1.063600 -1.119740 -0.975251 -0.988241 -0.888194 -0.897044 -0.911966 -1.069673 0.043902 0.044950 0.030711 1.949526 -0.834890 1.916270 2.345725 1.929599 1.931802 1.938275 -0.809271 -0.829118 2.333918 1.925920 1.945208 -0.720768 -0.686103 -0.723352 -0.825179 -0.814093 -0.729151 -0.785139 -0.742558 -0.821242 -0.831272 -0.752167 -0.822692 -0.724542 -0.825381 -0.830749 -0.769477 -0.838931 -0.768303 -0.817085 -0.897550 -0.804175 -0.809517 -0.981766 1.380338 -0.859079 -0.924642 -0.791368 -0.836278 -0.791996 -0.811296 -0.825794 -0.863489 0.276404 0.334145 0.291284 2.071287 -0.810473 2.002067 2.432058 2.017773 2.031417 2.021169 -0.773591 -0.796698 2.433356 2.029979 2.037426 -0.800194 -0.650073 -0.800089 -0.866667 -0.863608 -0.820023 -0.799123 -0.820032 -0.862122 -0.925194 -0.802040 -0.911776 -0.807319 -0.842849 -0.904740 -0.789546 -0.871043 -0.744776 -0.854490 -0.964415 -0.842286 -0.845719 -0.995548 1.336502 -0.837978 -0.948429 -0.842123 -0.864668 -0.786105 -0.778086 -0.798958 -0.833574 0.309444 0.391219 0.340658 -22.28534703 -4.55777416 -1.17541977 22.77699737 76.44222646 18.34156059 -1.50467692 -26.99620229 -4.59058458 -49.44602416 -314.2904 356.4593 -31.4214 -355.3068 -61.0156 -405.5749 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 Apr28-2024 05:29:32 Nodes: 1 Procs: 1 0 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Apr28-2024 05:29:33 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Apr28-2024 05:29:34 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Apr28-2024 05:29:35 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr28-2024 05:29:36 Nodes: 1 Procs: 1 Apr28-2024 05:29:37 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr28-2024 05:29:39 Nodes: 1 Procs: 28 *** (NO TITLE) *** -7 -14.77322115 -14.85678928 -14.86346102 -14.87959289 -14.88264092 -14.88482554 -14.88797325 -14.88971062 -14.89064547 -14.89137714 -14.89179477 -14.89190890 -14.89208546 -14.89222348 -14.89248414 -14.89263658 -14.89273006 -14.89284523 -14.89287485 -14.89292353 -14.89299163 -14.89315732 -14.89303935 -14.89317274 -14.89362651 -14.89429400 -14.89522562 -14.90013088 -14.90221180 -14.90240468 -14.90302857 -14.90342791 -14.90377745 -14.90409646 -14.90429789 -14.90441883 -14.90450322 -14.90454709 -14.90458194 -14.90459555 -14.90459919 -14.90460309 GEOMETRY CONVERGED