ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.78 0.02 1.64 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 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.06 2.11 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 Jun20-2024 03:43:04 Nodes: 1 Procs: 1 Jun20-2024 03:43:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.14 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 Jun20-2024 03:43:04 Nodes: 1 Procs: 1 Jun20-2024 03:43:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:43:09 Nodes: 1 Procs: 1 Jun20-2024 03:43:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.04 1.38 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 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 Jun20-2024 03:43:04 Nodes: 1 Procs: 1 Jun20-2024 03:43:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:43:09 Nodes: 1 Procs: 1 Jun20-2024 03:43:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:43:15 Nodes: 1 Procs: 1 Jun20-2024 03:43:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:18 Hydrogen (TZP) c2-56 c2-56 c2-56 c2-56 c2-56 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.08 3.18 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 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 Jun20-2024 03:43:04 Nodes: 1 Procs: 1 Jun20-2024 03:43:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:43:09 Nodes: 1 Procs: 1 Jun20-2024 03:43:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:43:15 Nodes: 1 Procs: 1 Jun20-2024 03:43:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 03:43:18 Nodes: 1 Procs: 1 Jun20-2024 03:43:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 03:43:25 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2211.0024999999996 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AuxInfo=1/1/N:36,13,14,15,16;17;23;2;8;9;18;19;20;21;22;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;6;7;11;12;10;1;4;5;3/E:(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:43nWO1WWWTaTaO1O1TaTaTaO1O1O1O1OOO1OO1OOOOO1OO1OO1OOOOOAs4O1OOOO1HH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;/rC:.6543,-2.8056,2.2589;-3.1627,-3.3809,-.37;-.7879,3.7443,-.6556;3.4742,.6641,.3698;-2.0735,-2.0927,.1282;1.1018,1.3453,-2.4737;2.2189,3.4727,1.7825;1.9986,1.6147,-3.9868;2.8297,5.111,2.1512;2.1015,.5832,3.6391;1.3215,-2.1113,-1.0352;-2.2571,1.015,-2.1366;-.1408,-.983,.7508;-1.3388,1.273,2.1935;-.5507,1.4068,-.5154;1.357,1.203,1.4823;.2977,.8793,4.3804;-2.3762,-.7032,-1.1686;2.2051,-3.2671,-2.0687;1.0899,-.6168,-2.2224;5.1275,.4892,-.1649;2.7737,-.9868,-.1034;-1.9264,3.5835,.9194;1.3379,-1.3148,3.1122;.6917,3.8475,.6077;-1.0809,5.4202,-1.0401;2.5511,1.4252,-1.1584;-2.9668,-1.2883,1.4229;-.4809,-2.7957,-.9851;-3.6789,.9128,-3.2124;-.7838,1.023,-3.2892;2.3533,2.5701,3.4899;1.6593,-3.2127,.8124;-2.277,2.9122,-1.6575;3.5886,.2873,2.2362;-.2441,.7163,1.0421;3.01,.2031,5.1222;3.6388,2.6503,.862;-1.0849,-3.1346,1.7228;.4258,3.2308,-2.0318;.9653,-4.105,3.3869;-1.7818,2.7577,1.4761;-.3999,1.055,3.6882;/R:/0/N:36,13,14,15,16;9,30,17,37,8,19,41,23,26,2,28,21,32,31,25,34,18,38,20,24,33,35,40,29,27,22,39,7,12,10,6,11,1,3,5,4/E:(2,3,4,5);(10,11)/CRV:1.4,2.1,3.1,4.1,5.1;1.1,2.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,28.4,29.4 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.112 -6.092 -6.039 -5.982 -5.944 -5.929 -5.881 -5.834 -5.822 -5.738 -2.571 -2.258 -1.997 -1.863 -1.664 -1.628 -1.583 -1.439 -1.401 -1.228 A A A A A A A A A A A A A A A A A A A A 0.00000000048306 0.00042376517502 0.00029626735887 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 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 73 73 73 73 73 33 1 1 0.654301 -2.805583 2.258926 -0.787891 3.744306 -0.655600 3.474157 0.664126 0.369787 -2.073502 -2.092694 0.128191 -3.162709 -3.380895 -0.370049 1.998558 1.614684 -3.986807 2.829730 5.110972 2.151201 -0.140810 -0.983005 0.750847 -1.338758 1.272960 2.193516 -0.550691 1.406845 -0.515448 1.357010 1.202969 1.482325 0.297747 0.879317 4.380445 -2.376212 -0.703233 -1.168641 2.205114 -3.267055 -2.068668 1.089852 -0.616786 -2.222449 5.127524 0.489248 -0.164899 2.773685 -0.986845 -0.103405 -1.926389 3.583457 0.919364 1.337919 -1.314804 3.112158 0.691709 3.847471 0.607738 -1.080857 5.420222 -1.040131 2.551075 1.425168 -1.158434 -2.966825 -1.288346 1.422875 -0.480891 -2.795726 -0.985100 -3.678877 0.912824 -3.212378 -0.783837 1.022981 -3.289188 2.353276 2.570112 3.489869 1.659307 -3.212743 0.812429 -2.277014 2.912234 -1.657499 3.588595 0.287310 2.236220 3.009972 0.203109 5.122184 3.638838 2.650256 0.862049 -1.084944 -3.134635 1.722750 0.425810 3.230753 -2.031783 0.965259 -4.105023 3.386877 1.101815 1.345344 -2.473694 2.218941 3.472734 1.782503 2.101454 0.583152 3.639059 1.321480 -2.111320 -1.035162 -2.257061 1.014995 -2.136643 -0.244080 0.716277 1.042101 -1.781818 2.757671 1.476102 -0.399858 1.054995 3.688160 1 3 -3 0.654301 -2.805583 2.258926 Rho 0.4361416E+07 3,-3 2 3 -3 -0.787891 3.744306 -0.655600 Rho 0.4361415E+07 3,-3 3 3 -3 3.474157 0.664126 0.369787 Rho 0.4361415E+07 3,-3 4 3 -3 -2.073502 -2.092694 0.128191 Rho 0.4361414E+07 3,-3 5 3 -3 -3.162709 -3.380895 -0.370049 Rho 0.3192321E+03 3,-3 6 3 -3 1.998558 1.614684 -3.986807 Rho 0.3191549E+03 3,-3 7 3 -3 2.829730 5.110972 2.151201 Rho 0.3191381E+03 3,-3 8 3 -3 -0.140810 -0.983005 0.750847 Rho 0.3190438E+03 3,-3 9 3 -3 -1.338758 1.272960 2.193516 Rho 0.3192259E+03 3,-3 10 3 -3 -0.550691 1.406845 -0.515448 Rho 0.3189751E+03 3,-3 11 3 -3 1.357010 1.202969 1.482325 Rho 0.3189732E+03 3,-3 12 3 -3 0.297747 0.879317 4.380445 Rho 0.3186709E+03 3,-3 13 3 -3 -2.376212 -0.703233 -1.168641 Rho 0.3187642E+03 3,-3 14 3 -3 2.205114 -3.267055 -2.068668 Rho 0.3191398E+03 3,-3 15 3 -3 1.089852 -0.616786 -2.222449 Rho 0.3188146E+03 3,-3 16 3 -3 5.127524 0.489248 -0.164899 Rho 0.3192714E+03 3,-3 17 3 -3 2.773685 -0.986845 -0.103405 Rho 0.3188872E+03 3,-3 18 3 -3 -1.926389 3.583457 0.919364 Rho 0.3187150E+03 3,-3 19 3 -3 1.337919 -1.314804 3.112158 Rho 0.3188452E+03 3,-3 20 3 -3 0.691709 3.847471 0.607738 Rho 0.3187854E+03 3,-3 21 3 -3 -1.080857 5.420222 -1.040131 Rho 0.3192878E+03 3,-3 22 3 -3 2.551075 1.425168 -1.158434 Rho 0.3188372E+03 3,-3 23 3 -3 -2.966825 -1.288346 1.422875 Rho 0.3192522E+03 3,-3 24 3 -3 -0.480891 -2.795726 -0.985100 Rho 0.3189022E+03 3,-3 25 3 -3 -3.678877 0.912824 -3.212378 Rho 0.3191447E+03 3,-3 26 3 -3 -0.783837 1.022981 -3.289188 Rho 0.3189276E+03 3,-3 27 3 -3 2.353276 2.570112 3.489869 Rho 0.3188691E+03 3,-3 28 3 -3 1.659307 -3.212743 0.812429 Rho 0.3190369E+03 3,-3 29 3 -3 -2.277014 2.912234 -1.657499 Rho 0.3188996E+03 3,-3 30 3 -3 3.588595 0.287310 2.236220 Rho 0.3189166E+03 3,-3 31 3 -3 3.009972 0.203109 5.122184 Rho 0.3191596E+03 3,-3 32 3 -3 3.638838 2.650256 0.862049 Rho 0.3189366E+03 3,-3 33 3 -3 -1.084944 -3.134635 1.722750 Rho 0.3189868E+03 3,-3 34 3 -3 0.425810 3.230753 -2.031783 Rho 0.3189201E+03 3,-3 35 3 -3 0.965259 -4.105023 3.386877 Rho 0.3192676E+03 3,-3 36 3 -3 1.101815 1.345344 -2.473694 Rho 0.3882647E+07 3,-3 37 3 -3 2.218941 3.472734 1.782503 Rho 0.3882648E+07 3,-3 38 3 -3 2.101454 0.583152 3.639059 Rho 0.3882646E+07 3,-3 39 3 -3 1.321480 -2.111320 -1.035162 Rho 0.3882647E+07 3,-3 40 3 -3 -2.257061 1.014995 -2.136643 Rho 0.3882647E+07 3,-3 41 3 -3 -0.244080 0.716277 1.042101 Rho 0.4276093E+05 3,-3 42 3 -3 -1.781818 2.757671 1.476102 Rho 0.4319171E+00 3,-3 43 3 -3 -0.399858 1.054995 3.688160 Rho 0.4415159E+00 3,-3 44 3 +1 -1.230878 -0.106310 -0.243669 Rho 0.9531979E-02 |GRAD(Rho)| 0.2328991E-16 GRAD(Rho)x -0.1372455E-16 GRAD(Rho)y -0.7260138E-17 GRAD(Rho)z 0.1735935E-16 Laplacian 0.3698183E-01 (-1/4)Del**2(Rho)) -0.9245457E-02 Diamond 0.1078177E-02 Metallicity 0.7984785E+00 Ellipticity -0.1431005E+01 Gb(Abramov) 0.7394021E-02 Vb(Abramov) -0.5542585E-02 Hb(Abramov) 0.1851436E-02 Ex_ueg -0.1492665E-02 Ec_ueg -0.3468700E-03 Delta_ex -0.1710461E-02 Delta_ec 0.4778908E-03 Delta_et -0.3386982E-02 Pxc 0.4303242E+01 Qxc -0.3579188E+01 3,+1 45 3 +1 0.787663 -0.318435 2.043521 Rho 0.9650626E-02 |GRAD(Rho)| 0.1162283E-16 GRAD(Rho)x 0.5916459E-17 GRAD(Rho)y -0.8129253E-17 GRAD(Rho)z 0.5831028E-17 Laplacian 0.3684245E-01 (-1/4)Del**2(Rho)) -0.9210614E-02 Diamond 0.1158544E-02 Metallicity 0.8181955E+00 Ellipticity -0.1525701E+01 Gb(Abramov) 0.7396423E-02 Vb(Abramov) -0.5582232E-02 Hb(Abramov) 0.1814191E-02 Ex_ueg -0.1517490E-02 Ec_ueg -0.3522298E-03 Delta_ex -0.1735033E-02 Delta_ec 0.5217007E-03 Delta_et -0.3670083E-02 Pxc 0.4308237E+01 Qxc -0.3325725E+01 3,+1 46 3 -1 1.796440 -2.733765 -1.591216 Rho 0.2161326E+00 |GRAD(Rho)| 0.1482619E-15 GRAD(Rho)x 0.7171997E-16 GRAD(Rho)y -0.9562663E-16 GRAD(Rho)z -0.8771196E-16 Laplacian 0.7954555E+00 (-1/4)Del**2(Rho)) -0.1988639E+00 Diamond 0.2483069E+01 Metallicity 0.6743177E+01 Ellipticity 0.5200190E-02 Gb(Abramov) 0.3560716E+00 Vb(Abramov) -0.5132794E+00 Hb(Abramov) -0.1572078E+00 Ex_ueg -0.9579560E-01 Ec_ueg -0.1280486E-01 Delta_ex -0.9354658E-01 Delta_ec 0.1814474E-01 Delta_et -0.2502057E+00 Pxc 0.7481192E+01 Qxc -0.5155575E+01 3,-1 47 3 +1 -0.602726 -0.678760 -1.555025 Rho 0.3629067E-02 |GRAD(Rho)| 0.8683269E-13 GRAD(Rho)x -0.7054087E-13 GRAD(Rho)y 0.4989542E-13 GRAD(Rho)z 0.8622595E-14 Laplacian 0.1352803E-01 (-1/4)Del**2(Rho)) -0.3382008E-02 Diamond 0.1721899E-03 Metallicity 0.4365530E+00 Ellipticity -0.1663211E+01 Gb(Abramov) 0.2500743E-02 Vb(Abramov) -0.1619478E-02 Hb(Abramov) 0.8812649E-03 Ex_ueg -0.4118873E-03 Ec_ueg -0.8840160E-04 Delta_ex -0.5863212E-03 Delta_ec 0.3422312E-03 Delta_et -0.1722178E-02 Pxc 0.4659274E+01 Qxc -0.1713231E+01 3,+1 48 3 +1 -1.872932 -0.155136 1.520326 Rho 0.7618574E-02 |GRAD(Rho)| 0.9121514E-17 GRAD(Rho)x -0.8683616E-17 GRAD(Rho)y -0.2764092E-17 GRAD(Rho)z 0.3957431E-18 Laplacian 0.2705203E-01 (-1/4)Del**2(Rho)) -0.6763007E-02 Diamond 0.9797440E-03 Metallicity 0.7513970E+00 Ellipticity -0.5355136E+01 Gb(Abramov) 0.5355622E-02 Vb(Abramov) -0.3948237E-02 Hb(Abramov) 0.1407385E-02 Ex_ueg -0.1107176E-02 Ec_ueg -0.2612847E-03 Delta_ex -0.1392498E-02 Delta_ec 0.7266520E-03 Delta_et -0.4522933E-02 Pxc 0.4237431E+01 Qxc -0.1916321E+01 3,+1 49 3 -1 -1.971402 -0.103540 1.611008 Rho 0.7632127E-02 |GRAD(Rho)| 0.7908744E-15 GRAD(Rho)x 0.7307886E-15 GRAD(Rho)y 0.1501072E-15 GRAD(Rho)z -0.2624845E-15 Laplacian 0.2731479E-01 (-1/4)Del**2(Rho)) -0.6828698E-02 Diamond 0.1156742E-02 Metallicity 0.7463765E+00 Ellipticity 0.3894374E+01 Gb(Abramov) 0.5401929E-02 Vb(Abramov) -0.3975159E-02 Hb(Abramov) 0.1426769E-02 Ex_ueg -0.1109803E-02 Ec_ueg -0.2618851E-03 Delta_ex -0.1493793E-02 Delta_ec 0.8894528E-03 Delta_et -0.5470602E-02 Pxc 0.4237747E+01 Qxc -0.1679452E+01 3,-1 50 3 -1 -2.314234 0.106962 -1.615220 Rho 0.1242637E+00 |GRAD(Rho)| 0.1627889E-15 GRAD(Rho)x 0.6779143E-16 GRAD(Rho)y -0.9248245E-16 GRAD(Rho)z -0.1155488E-15 Laplacian 0.5509791E+00 (-1/4)Del**2(Rho)) -0.1377448E+00 Diamond 0.9021538E+00 Metallicity 0.3870069E+01 Ellipticity 0.4032922E-01 Gb(Abramov) 0.1806768E+00 Vb(Abramov) -0.2236088E+00 Hb(Abramov) -0.4293203E-01 Ex_ueg -0.4579776E-01 Ec_ueg -0.6817003E-02 Delta_ex -0.5667584E-01 Delta_ec 0.1489594E-01 Delta_et -0.1930711E+00 Pxc 0.6718166E+01 Qxc -0.3804785E+01 3,-1 51 3 +1 0.331467 -0.113591 -0.740166 Rho 0.6253531E-02 |GRAD(Rho)| 0.1484714E-16 GRAD(Rho)x -0.5278271E-17 GRAD(Rho)y -0.4601010E-18 GRAD(Rho)z 0.1386959E-16 Laplacian 0.2284823E-01 (-1/4)Del**2(Rho)) -0.5712056E-02 Diamond 0.3882289E-03 Metallicity 0.6401811E+00 Ellipticity -0.1371997E+01 Gb(Abramov) 0.4417496E-02 Vb(Abramov) -0.3122936E-02 Hb(Abramov) 0.1294560E-02 Ex_ueg -0.8509136E-03 Ec_ueg -0.2012499E-03 Delta_ex -0.9583977E-03 Delta_ec 0.3113947E-03 Delta_et -0.1968190E-02 Pxc 0.4228144E+01 Qxc -0.3077758E+01 3,+1 52 3 -1 -2.660017 -2.789714 -0.139744 Rho 0.2304292E+00 |GRAD(Rho)| 0.9146865E-15 GRAD(Rho)x 0.6025454E-15 GRAD(Rho)y 0.6493287E-15 GRAD(Rho)z 0.2279535E-15 Laplacian 0.8593230E+00 (-1/4)Del**2(Rho)) -0.2148308E+00 Diamond 0.2883252E+01 Metallicity 0.6945218E+01 Ellipticity 0.2125021E-01 Gb(Abramov) 0.3918949E+00 Vb(Abramov) -0.5689590E+00 Hb(Abramov) -0.1770641E+00 Ex_ueg -0.1043362E+00 Ec_ueg -0.1378002E-01 Delta_ex -0.1026685E+00 Delta_ec 0.1910429E-01 Delta_et -0.2637543E+00 Pxc 0.7571557E+01 Qxc -0.5374108E+01 3,-1 53 3 -1 -2.256706 2.019158 -1.871546 Rho 0.1366436E+00 |GRAD(Rho)| 0.8949954E-13 GRAD(Rho)x -0.2242459E-14 GRAD(Rho)y -0.8475816E-13 GRAD(Rho)z -0.2865649E-13 Laplacian 0.5469112E+00 (-1/4)Del**2(Rho)) -0.1367278E+00 Diamond 0.1010834E+01 Metallicity 0.4567500E+01 Ellipticity 0.4921183E-01 Gb(Abramov) 0.1952359E+00 Vb(Abramov) -0.2537440E+00 Hb(Abramov) -0.5850809E-01 Ex_ueg -0.5198014E-01 Ec_ueg -0.7594074E-02 Delta_ex -0.5763550E-01 Delta_ec 0.1459959E-01 Delta_et -0.1925129E+00 Pxc 0.6844829E+01 Qxc -0.3947748E+01 3,-1 54 3 -1 0.100187 1.177826 -2.883703 Rho 0.9919014E-01 |GRAD(Rho)| 0.5547850E-15 GRAD(Rho)x 0.5009421E-15 GRAD(Rho)y 0.1641618E-15 GRAD(Rho)z -0.1728998E-15 Laplacian 0.4130570E+00 (-1/4)Del**2(Rho)) -0.1032643E+00 Diamond 0.5230450E+00 Metallicity 0.3545825E+01 Ellipticity 0.3294922E-01 Gb(Abramov) 0.1298690E+00 Vb(Abramov) -0.1564737E+00 Hb(Abramov) -0.2660475E-01 Ex_ueg -0.3391119E-01 Ec_ueg -0.5276020E-02 Delta_ex -0.4042521E-01 Delta_ec 0.1198116E-01 Delta_et -0.1491229E+00 Pxc 0.6427420E+01 Qxc -0.3374066E+01 3,-1 55 3 -1 -1.464556 1.018947 -2.746138 Rho 0.1711309E+00 |GRAD(Rho)| 0.1053467E-15 GRAD(Rho)x -0.9942134E-16 GRAD(Rho)y 0.1267521E-16 GRAD(Rho)z -0.3244475E-16 Laplacian 0.6554025E+00 (-1/4)Del**2(Rho)) -0.1638506E+00 Diamond 0.1583228E+01 Metallicity 0.5546076E+01 Ellipticity 0.3332428E-01 Gb(Abramov) 0.2606884E+00 Vb(Abramov) -0.3575262E+00 Hb(Abramov) -0.9683780E-01 Ex_ueg -0.7017078E-01 Ec_ueg -0.9809650E-02 Delta_ex -0.7295001E-01 Delta_ec 0.1648971E-01 Delta_et -0.2243578E+00 Pxc 0.7153240E+01 Qxc -0.4423973E+01 3,-1 56 3 -1 -1.378564 1.198173 -1.274218 Rho 0.4682971E-01 |GRAD(Rho)| 0.6825155E-16 GRAD(Rho)x 0.2705677E-16 GRAD(Rho)y 0.2861913E-17 GRAD(Rho)z -0.6259404E-16 Laplacian 0.2012926E+00 (-1/4)Del**2(Rho)) -0.5032314E-01 Diamond 0.9876970E-01 Metallicity 0.2082833E+01 Ellipticity 0.2933948E-01 Gb(Abramov) 0.5101788E-01 Vb(Abramov) -0.5171262E-01 Hb(Abramov) -0.6947389E-03 Ex_ueg -0.1246657E-01 Ec_ueg -0.2240396E-02 Delta_ex -0.1655356E-01 Delta_ec 0.6456027E-02 Delta_et -0.6702210E-01 Pxc 0.5564450E+01 Qxc -0.2564048E+01 3,-1 57 3 +1 -1.147851 2.213115 0.714695 Rho 0.1226640E-01 |GRAD(Rho)| 0.4976891E-16 GRAD(Rho)x 0.2375122E-16 GRAD(Rho)y -0.4354705E-16 GRAD(Rho)z -0.4059405E-17 Laplacian 0.4873460E-01 (-1/4)Del**2(Rho)) -0.1218365E-01 Diamond 0.1999554E-02 Metallicity 0.9225098E+00 Ellipticity -0.1512933E+01 Gb(Abramov) 0.9995689E-02 Vb(Abramov) -0.7807728E-02 Hb(Abramov) 0.2187961E-02 Ex_ueg -0.2089334E-02 Ec_ueg -0.4718809E-03 Delta_ex -0.2405811E-02 Delta_ec 0.6260822E-03 Delta_et -0.4724756E-02 Pxc 0.4427673E+01 Qxc -0.3842643E+01 3,+1 58 3 +1 0.346258 2.318584 0.657048 Rho 0.9910501E-02 |GRAD(Rho)| 0.2424120E-13 GRAD(Rho)x 0.9248385E-14 GRAD(Rho)y 0.2228979E-13 GRAD(Rho)z 0.2295256E-14 Laplacian 0.3740188E-01 (-1/4)Del**2(Rho)) -0.9350471E-02 Diamond 0.1191081E-02 Metallicity 0.8424530E+00 Ellipticity -0.1521294E+01 Gb(Abramov) 0.7546536E-02 Vb(Abramov) -0.5742601E-02 Hb(Abramov) 0.1803935E-02 Ex_ueg -0.1572217E-02 Ec_ueg -0.3639906E-03 Delta_ex -0.1762761E-02 Delta_ec 0.5106415E-03 Delta_et -0.3631324E-02 Pxc 0.4319390E+01 Qxc -0.3452052E+01 3,+1 59 3 +1 -1.470514 1.971982 -1.171561 Rho 0.2917966E-01 |GRAD(Rho)| 0.7027247E-13 GRAD(Rho)x 0.3583260E-14 GRAD(Rho)y 0.3601166E-13 GRAD(Rho)z 0.6023737E-13 Laplacian 0.1136718E+00 (-1/4)Del**2(Rho)) -0.2841796E-01 Diamond 0.1738644E-01 Metallicity 0.1676592E+01 Ellipticity -0.3700832E+01 Gb(Abramov) 0.2688619E-01 Vb(Abramov) -0.2535443E-01 Hb(Abramov) 0.1531767E-02 Ex_ueg -0.6634763E-02 Ec_ueg -0.1301371E-02 Delta_ex -0.7280150E-02 Delta_ec 0.1769743E-02 Delta_et -0.1623382E-01 Pxc 0.5098286E+01 Qxc -0.4113678E+01 3,+1 60 3 -1 -1.378389 3.629557 0.185680 Rho 0.1427945E+00 |GRAD(Rho)| 0.9934474E-16 GRAD(Rho)x 0.4403216E-16 GRAD(Rho)y -0.8302278E-16 GRAD(Rho)z -0.3221436E-16 Laplacian 0.5431607E+00 (-1/4)Del**2(Rho)) -0.1357902E+00 Diamond 0.1054658E+01 Metallicity 0.4949224E+01 Ellipticity 0.7594512E-01 Gb(Abramov) 0.2025361E+00 Vb(Abramov) -0.2692821E+00 Hb(Abramov) -0.6674595E-01 Ex_ueg -0.5512309E-01 Ec_ueg -0.7983864E-02 Delta_ex -0.5781335E-01 Delta_ec 0.1427516E-01 Delta_et -0.1893934E+00 Pxc 0.6904313E+01 Qxc -0.4049928E+01 3,-1 61 3 -1 -0.661598 2.535444 -0.554176 Rho 0.5295518E-01 |GRAD(Rho)| 0.9680936E-15 GRAD(Rho)x 0.4115532E-16 GRAD(Rho)y 0.9242874E-15 GRAD(Rho)z -0.2849635E-15 Laplacian 0.2094449E+00 (-1/4)Del**2(Rho)) -0.5236123E-01 Diamond 0.1124280E+00 Metallicity 0.2456919E+01 Ellipticity 0.1178473E-01 Gb(Abramov) 0.5634870E-01 Vb(Abramov) -0.6033617E-01 Hb(Abramov) -0.3987473E-02 Ex_ueg -0.1468689E-01 Ec_ueg -0.2578865E-02 Delta_ex -0.1739708E-01 Delta_ec 0.6069289E-02 Delta_et -0.6490521E-01 Pxc 0.5695096E+01 Qxc -0.2866412E+01 3,-1 62 3 +3 -0.514767 -0.517310 -1.244491 Rho 0.3529217E-02 |GRAD(Rho)| 0.4073234E-17 GRAD(Rho)x -0.1634428E-17 GRAD(Rho)y 0.2858272E-17 GRAD(Rho)z 0.2397949E-17 Laplacian 0.1349678E-01 (-1/4)Del**2(Rho)) -0.3374195E-02 Diamond 0.9978611E-04 Metallicity 0.4176831E+00 Ellipticity -0.4094109E+00 Gb(Abramov) 0.2484354E-02 Vb(Abramov) -0.1594513E-02 Hb(Abramov) 0.8898409E-03 Ex_ueg -0.3968468E-03 Ec_ueg -0.8417868E-04 Delta_ex -0.4846940E-03 Delta_ec 0.1681590E-03 Delta_et -0.9285699E-03 Pxc 0.4714338E+01 Qxc -0.2882355E+01 3,+3 63 3 -1 -1.568559 3.284558 -1.181589 Rho 0.1322558E+00 |GRAD(Rho)| 0.4668028E-15 GRAD(Rho)x 0.4650685E-15 GRAD(Rho)y 0.4010193E-16 GRAD(Rho)z -0.2818926E-17 Laplacian 0.5006470E+00 (-1/4)Del**2(Rho)) -0.1251618E+00 Diamond 0.8787475E+00 Metallicity 0.4725408E+01 Ellipticity 0.7012648E-02 Gb(Abramov) 0.1820146E+00 Vb(Abramov) -0.2388674E+00 Hb(Abramov) -0.5685281E-01 Ex_ueg -0.4976660E-01 Ec_ueg -0.7317499E-02 Delta_ex -0.5221756E-01 Delta_ec 0.1323748E-01 Delta_et -0.1731948E+00 Pxc 0.6801040E+01 Qxc -0.3944674E+01 3,-1 64 3 +1 2.070548 -0.960201 1.522249 Rho 0.3855845E-02 |GRAD(Rho)| 0.8390876E-16 GRAD(Rho)x 0.5178383E-16 GRAD(Rho)y 0.5972175E-16 GRAD(Rho)z 0.2815008E-16 Laplacian 0.1548343E-01 (-1/4)Del**2(Rho)) -0.3870857E-02 Diamond 0.2169507E-03 Metallicity 0.4219672E+00 Ellipticity -0.1543126E+01 Gb(Abramov) 0.2852800E-02 Vb(Abramov) -0.1834744E-02 Hb(Abramov) 0.1018057E-02 Ex_ueg -0.4465580E-03 Ec_ueg -0.9801239E-04 Delta_ex -0.6833513E-03 Delta_ec 0.3990823E-03 Delta_et -0.2040738E-02 Pxc 0.4556138E+01 Qxc -0.1712307E+01 3,+1 65 3 +1 -0.731244 -2.031663 1.122726 Rho 0.2840846E-01 |GRAD(Rho)| 0.4000173E-16 GRAD(Rho)x -0.1784791E-16 GRAD(Rho)y -0.2352064E-16 GRAD(Rho)z 0.2698832E-16 Laplacian 0.1157214E+00 (-1/4)Del**2(Rho)) -0.2893036E-01 Diamond 0.1896846E-01 Metallicity 0.1574993E+01 Ellipticity -0.5587168E+01 Gb(Abramov) 0.2688109E-01 Vb(Abramov) -0.2483183E-01 Hb(Abramov) 0.2049266E-02 Ex_ueg -0.6401993E-02 Ec_ueg -0.1261809E-02 Delta_ex -0.7532500E-02 Delta_ec 0.2114170E-02 Delta_et -0.1922802E-01 Pxc 0.5073661E+01 Qxc -0.3562864E+01 3,+1 66 3 -1 -1.084102 -1.492900 0.449371 Rho 0.5777738E-01 |GRAD(Rho)| 0.5826177E-14 GRAD(Rho)x 0.1871485E-15 GRAD(Rho)y -0.4026617E-14 GRAD(Rho)z -0.4206622E-14 Laplacian 0.2280843E+00 (-1/4)Del**2(Rho)) -0.5702108E-01 Diamond 0.1402240E+00 Metallicity 0.2608841E+01 Ellipticity 0.2956384E-01 Gb(Abramov) 0.6280720E-01 Vb(Abramov) -0.6859333E-01 Hb(Abramov) -0.5786125E-02 Ex_ueg -0.1649664E-01 Ec_ueg -0.2849085E-02 Delta_ex -0.1945579E-01 Delta_ec 0.6756156E-02 Delta_et -0.7393641E-01 Pxc 0.5790154E+01 Qxc -0.2879713E+01 3,-1 67 3 +1 0.173588 1.961702 -1.464496 Rho 0.2461113E-01 |GRAD(Rho)| 0.6713429E-16 GRAD(Rho)x -0.3273249E-16 GRAD(Rho)y -0.1894706E-16 GRAD(Rho)z 0.5546717E-16 Laplacian 0.9234693E-01 (-1/4)Del**2(Rho)) -0.2308673E-01 Diamond 0.9176471E-02 Metallicity 0.1553853E+01 Ellipticity -0.1951656E+01 Gb(Abramov) 0.2137005E-01 Vb(Abramov) -0.1965337E-01 Hb(Abramov) 0.1716681E-02 Ex_ueg -0.5287216E-02 Ec_ueg -0.1069155E-02 Delta_ex -0.5426315E-02 Delta_ec 0.1043615E-02 Delta_et -0.9304033E-02 Pxc 0.4945229E+01 Qxc -0.5199535E+01 3,+1 68 3 +3 1.171705 0.194550 -0.364442 Rho 0.3982545E-02 |GRAD(Rho)| 0.3549518E-17 GRAD(Rho)x -0.2746947E-17 GRAD(Rho)y -0.1238023E-17 GRAD(Rho)z 0.1876341E-17 Laplacian 0.1488342E-01 (-1/4)Del**2(Rho)) -0.3720854E-02 Diamond 0.8072547E-04 Metallicity 0.4632816E+00 Ellipticity -0.5031592E-01 Gb(Abramov) 0.2767870E-02 Vb(Abramov) -0.1814886E-02 Hb(Abramov) 0.9529843E-03 Ex_ueg -0.4662291E-03 Ec_ueg -0.1033938E-03 Delta_ex -0.4887179E-03 Delta_ec 0.7581955E-04 Delta_et -0.5463289E-03 Pxc 0.4509255E+01 Qxc -0.6445803E+01 3,+3 69 3 -1 0.567804 -1.507602 -0.123438 Rho 0.3103098E-01 |GRAD(Rho)| 0.1452468E-14 GRAD(Rho)x -0.6512520E-15 GRAD(Rho)y -0.1208190E-14 GRAD(Rho)z -0.4751952E-15 Laplacian 0.1250381E+00 (-1/4)Del**2(Rho)) -0.3125954E-01 Diamond 0.3387775E-01 Metallicity 0.1688741E+01 Ellipticity 0.1905192E+00 Gb(Abramov) 0.2963790E-01 Vb(Abramov) -0.2801627E-01 Hb(Abramov) 0.1621635E-02 Ex_ueg -0.7201877E-02 Ec_ueg -0.1396908E-02 Delta_ex -0.9207017E-02 Delta_ec 0.3844686E-02 Delta_et -0.3564136E-01 Pxc 0.5155584E+01 Qxc -0.2394738E+01 3,-1 70 3 -1 -0.276767 -2.969378 1.961857 Rho 0.1816794E+00 |GRAD(Rho)| 0.1548057E-13 GRAD(Rho)x 0.6968709E-14 GRAD(Rho)y -0.9284789E-14 GRAD(Rho)z 0.1024099E-13 Laplacian 0.6925430E+00 (-1/4)Del**2(Rho)) -0.1731357E+00 Diamond 0.1760183E+01 Metallicity 0.5798861E+01 Ellipticity 0.6289772E-01 Gb(Abramov) 0.2827555E+00 Vb(Abramov) -0.3923753E+00 Hb(Abramov) -0.1096198E+00 Ex_ueg -0.7599635E-01 Ec_ueg -0.1050144E-01 Delta_ex -0.7795627E-01 Delta_ec 0.1664237E-01 Delta_et -0.2265025E+00 Pxc 0.7236754E+01 Qxc -0.4684205E+01 3,-1 71 3 +1 0.336019 0.959786 2.747146 Rho 0.1086814E-01 |GRAD(Rho)| 0.1328049E-16 GRAD(Rho)x -0.3655996E-17 GRAD(Rho)y 0.1873898E-17 GRAD(Rho)z -0.1262908E-16 Laplacian 0.4032099E-01 (-1/4)Del**2(Rho)) -0.1008025E-01 Diamond 0.1345010E-02 Metallicity 0.9113267E+00 Ellipticity -0.1490876E+01 Gb(Abramov) 0.8251231E-02 Vb(Abramov) -0.6422215E-02 Hb(Abramov) 0.1829016E-02 Ex_ueg -0.1777974E-02 Ec_ueg -0.4075738E-03 Delta_ex -0.1909412E-02 Delta_ec 0.4847713E-03 Delta_et -0.3578692E-02 Pxc 0.4362336E+01 Qxc -0.3938790E+01 3,+1 72 3 +3 1.795716 -0.784490 1.418848 Rho 0.3765405E-02 |GRAD(Rho)| 0.5085761E-17 GRAD(Rho)x 0.7830695E-18 GRAD(Rho)y -0.3282320E-17 GRAD(Rho)z -0.3805016E-17 Laplacian 0.1520400E-01 (-1/4)Del**2(Rho)) -0.3800999E-02 Diamond 0.1341648E-03 Metallicity 0.4130554E+00 Ellipticity -0.4446449E+00 Gb(Abramov) 0.2795670E-02 Vb(Abramov) -0.1790341E-02 Hb(Abramov) 0.1005329E-02 Ex_ueg -0.4326473E-03 Ec_ueg -0.9417628E-04 Delta_ex -0.5700388E-03 Delta_ec 0.2172166E-03 Delta_et -0.1191128E-02 Pxc 0.4594016E+01 Qxc -0.2624288E+01 3,+3 73 3 -1 -0.195435 -0.102674 0.906152 Rho 0.1742787E+00 |GRAD(Rho)| 0.4497871E-13 GRAD(Rho)x -0.2140215E-14 GRAD(Rho)y 0.4449913E-13 GRAD(Rho)z 0.6191228E-14 Laplacian 0.4432200E+00 (-1/4)Del**2(Rho)) -0.1108050E+00 Diamond 0.1096476E+01 Metallicity 0.8454110E+01 Ellipticity 0.1486327E-01 Gb(Abramov) 0.2299963E+00 Vb(Abramov) -0.3491875E+00 Hb(Abramov) -0.1191913E+00 Ex_ueg -0.7189703E-01 Ec_ueg -0.1001542E-01 Delta_ex -0.4957469E-01 Delta_ec 0.1113003E-01 Delta_et -0.1518531E+00 Pxc 0.7178635E+01 Qxc -0.4454137E+01 3,-1 74 3 -1 -0.141373 3.452551 -1.381881 Rho 0.1574445E+00 |GRAD(Rho)| 0.2555309E-12 GRAD(Rho)x -0.1631752E-12 GRAD(Rho)y 0.9918274E-13 GRAD(Rho)z 0.1698018E-12 Laplacian 0.6198548E+00 (-1/4)Del**2(Rho)) -0.1549637E+00 Diamond 0.1329622E+01 Metallicity 0.5103509E+01 Ellipticity 0.2877798E-01 Gb(Abramov) 0.2351189E+00 Vb(Abramov) -0.3152741E+00 Hb(Abramov) -0.8015521E-01 Ex_ueg -0.6278968E-01 Ec_ueg -0.8921758E-02 Delta_ex -0.6735005E-01 Delta_ec 0.1550840E-01 Delta_et -0.2077282E+00 Pxc 0.7037815E+01 Qxc -0.4342812E+01 3,-1 75 3 -1 -0.002713 3.788197 0.017073 Rho 0.1375900E+00 |GRAD(Rho)| 0.8838004E-16 GRAD(Rho)x 0.3527723E-16 GRAD(Rho)y -0.7021395E-16 GRAD(Rho)z 0.4045429E-16 Laplacian 0.5663075E+00 (-1/4)Del**2(Rho)) -0.1415769E+00 Diamond 0.1040080E+01 Metallicity 0.4462095E+01 Ellipticity 0.4546752E-01 Gb(Abramov) 0.1996728E+00 Vb(Abramov) -0.2577688E+00 Hb(Abramov) -0.5809596E-01 Ex_ueg -0.5246070E-01 Ec_ueg -0.7653890E-02 Delta_ex -0.5960786E-01 Delta_ec 0.1478675E-01 Delta_et -0.1945928E+00 Pxc 0.6854123E+01 Qxc -0.4031169E+01 3,-1 76 3 -1 2.082301 -1.511657 -0.542955 Rho 0.1016702E+00 |GRAD(Rho)| 0.3898016E-15 GRAD(Rho)x -0.2052869E-15 GRAD(Rho)y -0.3312576E-15 GRAD(Rho)z 0.8422896E-17 Laplacian 0.4428661E+00 (-1/4)Del**2(Rho)) -0.1107165E+00 Diamond 0.5851719E+00 Metallicity 0.3446120E+01 Ellipticity 0.4587790E-01 Gb(Abramov) 0.1374014E+00 Vb(Abramov) -0.1640863E+00 Hb(Abramov) -0.2668489E-01 Ex_ueg -0.3504640E-01 Ec_ueg -0.5426339E-02 Delta_ex -0.4371451E-01 Delta_ec 0.1299877E-01 Delta_et -0.1628734E+00 Pxc 0.6458572E+01 Qxc -0.3362972E+01 3,-1 77 3 -1 0.359908 -2.466149 -0.996007 Rho 0.1481924E+00 |GRAD(Rho)| 0.1786986E-15 GRAD(Rho)x -0.1526557E-15 GRAD(Rho)y 0.7775085E-16 GRAD(Rho)z -0.5083553E-16 Laplacian 0.5824498E+00 (-1/4)Del**2(Rho)) -0.1456124E+00 Diamond 0.1183248E+01 Metallicity 0.4909808E+01 Ellipticity 0.2804695E-01 Gb(Abramov) 0.2162298E+00 Vb(Abramov) -0.2868472E+00 Hb(Abramov) -0.7061738E-01 Ex_ueg -0.5791881E-01 Ec_ueg -0.8327902E-02 Delta_ex -0.6256587E-01 Delta_ec 0.1518367E-01 Delta_et -0.2025997E+00 Pxc 0.6954790E+01 Qxc -0.4120604E+01 3,-1 78 3 +1 0.778425 -2.024402 0.501844 Rho 0.1788477E-01 |GRAD(Rho)| 0.2806001E-16 GRAD(Rho)x -0.1995336E-16 GRAD(Rho)y -0.3507221E-17 GRAD(Rho)z 0.1941460E-16 Laplacian 0.6040812E-01 (-1/4)Del**2(Rho)) -0.1510203E-01 Diamond 0.3774844E-02 Metallicity 0.1395265E+01 Ellipticity -0.1880104E+01 Gb(Abramov) 0.1357991E-01 Vb(Abramov) -0.1205779E-01 Hb(Abramov) 0.1522121E-02 Ex_ueg -0.3454322E-02 Ec_ueg -0.7376190E-03 Delta_ex -0.3233516E-02 Delta_ec 0.6580566E-03 Delta_et -0.5499403E-02 Pxc 0.4683071E+01 Qxc -0.4913735E+01 3,+1 79 3 -1 0.238085 -1.848042 1.499936 Rho 0.3740595E-01 |GRAD(Rho)| 0.3108015E-16 GRAD(Rho)x 0.9664858E-17 GRAD(Rho)y 0.2668175E-16 GRAD(Rho)z 0.1267479E-16 Laplacian 0.1446371E+00 (-1/4)Del**2(Rho)) -0.3615927E-01 Diamond 0.4713442E-01 Metallicity 0.1993278E+01 Ellipticity 0.1156469E+00 Gb(Abramov) 0.3611876E-01 Vb(Abramov) -0.3607825E-01 Hb(Abramov) 0.4050818E-04 Ex_ueg -0.9239304E-02 Ec_ueg -0.1731572E-02 Delta_ex -0.1093027E-01 Delta_ec 0.4059558E-02 Delta_et -0.3960079E-01 Pxc 0.5335788E+01 Qxc -0.2692477E+01 3,-1 80 3 +1 0.126346 -1.783414 -0.218037 Rho 0.2648417E-01 |GRAD(Rho)| 0.1751533E-13 GRAD(Rho)x 0.1347564E-13 GRAD(Rho)y -0.4497089E-14 GRAD(Rho)z -0.1024548E-13 Laplacian 0.1006586E+00 (-1/4)Del**2(Rho)) -0.2516464E-01 Diamond 0.1187184E-01 Metallicity 0.1610917E+01 Ellipticity -0.2274629E+01 Gb(Abramov) 0.2353279E-01 Vb(Abramov) -0.2190093E-01 Hb(Abramov) 0.1631856E-02 Ex_ueg -0.5830426E-02 Ec_ueg -0.1163727E-02 Delta_ex -0.6118304E-02 Delta_ec 0.1280535E-02 Delta_et -0.1154454E-01 Pxc 0.5010134E+01 Qxc -0.4777927E+01 3,+1 81 3 +1 1.409988 -0.277289 0.545489 Rho 0.7107129E-02 |GRAD(Rho)| 0.9032855E-16 GRAD(Rho)x 0.8692234E-16 GRAD(Rho)y 0.1005379E-16 GRAD(Rho)z -0.2242045E-16 Laplacian 0.2766246E-01 (-1/4)Del**2(Rho)) -0.6915615E-02 Diamond 0.5738021E-03 Metallicity 0.6544543E+00 Ellipticity -0.1380748E+01 Gb(Abramov) 0.5364736E-02 Vb(Abramov) -0.3813856E-02 Hb(Abramov) 0.1550879E-02 Ex_ueg -0.1009200E-02 Ec_ueg -0.2386885E-03 Delta_ex -0.1206275E-02 Delta_ec 0.3920792E-03 Delta_et -0.2548451E-02 Pxc 0.4228105E+01 Qxc -0.3076611E+01 3,+1 82 3 -1 1.745207 2.303835 1.622857 Rho 0.4112344E-01 |GRAD(Rho)| 0.8319563E-16 GRAD(Rho)x 0.7795265E-16 GRAD(Rho)y -0.2475284E-16 GRAD(Rho)z 0.1523791E-16 Laplacian 0.1727215E+00 (-1/4)Del**2(Rho)) -0.4318038E-01 Diamond 0.7068862E-01 Metallicity 0.1954710E+01 Ellipticity 0.4048187E-01 Gb(Abramov) 0.4285445E-01 Vb(Abramov) -0.4252851E-01 Hb(Abramov) 0.3259366E-03 Ex_ueg -0.1048345E-01 Ec_ueg -0.1930431E-02 Delta_ex -0.1373841E-01 Delta_ec 0.5509283E-02 Delta_et -0.5520998E-01 Pxc 0.5430628E+01 Qxc -0.2493684E+01 3,-1 83 3 -1 0.525930 0.951518 1.251412 Rho 0.1724686E+00 |GRAD(Rho)| 0.1596477E-12 GRAD(Rho)x -0.1420981E-12 GRAD(Rho)y 0.2303539E-13 GRAD(Rho)z 0.6902812E-13 Laplacian 0.4488197E+00 (-1/4)Del**2(Rho)) -0.1122049E+00 Diamond 0.1094811E+01 Metallicity 0.8204614E+01 Ellipticity 0.7195328E-02 Gb(Abramov) 0.2282363E+00 Vb(Abramov) -0.3442677E+00 Hb(Abramov) -0.1160314E+00 Ex_ueg -0.7090310E-01 Ec_ueg -0.9897025E-02 Delta_ex -0.5005668E-01 Delta_ec 0.1127602E-01 Delta_et -0.1535833E+00 Pxc 0.7164083E+01 Qxc -0.4439217E+01 3,-1 84 3 +3 1.244303 2.302354 -0.224509 Rho 0.3925690E-02 |GRAD(Rho)| 0.2405548E-13 GRAD(Rho)x -0.1087045E-13 GRAD(Rho)y 0.2127486E-13 GRAD(Rho)z -0.2807085E-14 Laplacian 0.1551173E-01 (-1/4)Del**2(Rho)) -0.3877933E-02 Diamond 0.1293029E-03 Metallicity 0.4339898E+00 Ellipticity -0.3424823E+00 Gb(Abramov) 0.2865786E-02 Vb(Abramov) -0.1853639E-02 Hb(Abramov) 0.1012147E-02 Ex_ueg -0.4573757E-03 Ec_ueg -0.1009779E-03 Delta_ex -0.5673749E-03 Delta_ec 0.1861423E-03 Delta_et -0.1064529E-02 Pxc 0.4529463E+01 Qxc -0.3048071E+01 3,+3 85 3 +1 1.156867 1.252417 -0.248039 Rho 0.7193849E-02 |GRAD(Rho)| 0.1756812E-15 GRAD(Rho)x 0.1122164E-15 GRAD(Rho)y -0.1312203E-15 GRAD(Rho)z 0.3244363E-16 Laplacian 0.2745768E-01 (-1/4)Del**2(Rho)) -0.6864420E-02 Diamond 0.5704952E-03 Metallicity 0.6727982E+00 Ellipticity -0.1390089E+01 Gb(Abramov) 0.5346008E-02 Vb(Abramov) -0.3827597E-02 Hb(Abramov) 0.1518412E-02 Ex_ueg -0.1025652E-02 Ec_ueg -0.2425113E-03 Delta_ex -0.1196085E-02 Delta_ec 0.3804743E-03 Delta_et -0.2488211E-02 Pxc 0.4229296E+01 Qxc -0.3143668E+01 3,+1 86 3 -1 0.822171 -3.507847 2.868496 Rho 0.2365196E+00 |GRAD(Rho)| 0.8124998E-14 GRAD(Rho)x -0.2039303E-14 GRAD(Rho)y -0.7712364E-14 GRAD(Rho)z -0.1541519E-14 Laplacian 0.8674526E+00 (-1/4)Del**2(Rho)) -0.2168632E+00 Diamond 0.3001720E+01 Metallicity 0.7185867E+01 Ellipticity 0.6301778E-02 Gb(Abramov) 0.4043004E+00 Vb(Abramov) -0.5917376E+00 Hb(Abramov) -0.1874372E+00 Ex_ueg -0.1080292E+00 Ec_ueg -0.1419885E-01 Delta_ex -0.1043380E+00 Delta_ec 0.1912214E-01 Delta_et -0.2642005E+00 Pxc 0.7608305E+01 Qxc -0.5456394E+01 3,-1 87 3 -1 1.093476 0.305778 -2.331567 Rho 0.1264923E+00 |GRAD(Rho)| 0.1647734E-14 GRAD(Rho)x -0.7891721E-16 GRAD(Rho)y 0.1606815E-14 GRAD(Rho)z -0.3562926E-15 Laplacian 0.5330483E+00 (-1/4)Del**2(Rho)) -0.1332621E+00 Diamond 0.9086337E+00 Metallicity 0.4120533E+01 Ellipticity 0.3978973E-01 Gb(Abramov) 0.1803598E+00 Vb(Abramov) -0.2274576E+00 Hb(Abramov) -0.4709778E-01 Ex_ueg -0.4689615E-01 Ec_ueg -0.6956135E-02 Delta_ex -0.5527722E-01 Delta_ec 0.1473052E-01 Delta_et -0.1921753E+00 Pxc 0.6741696E+01 Qxc -0.3752565E+01 3,-1 88 3 +1 1.470020 2.584336 -0.374939 Rho 0.4073927E-02 |GRAD(Rho)| 0.1270800E-16 GRAD(Rho)x -0.3970499E-17 GRAD(Rho)y 0.9792648E-17 GRAD(Rho)z 0.7059214E-17 Laplacian 0.1572014E-01 (-1/4)Del**2(Rho)) -0.3930036E-02 Diamond 0.2335072E-03 Metallicity 0.4555249E+00 Ellipticity -0.1683287E+01 Gb(Abramov) 0.2918395E-02 Vb(Abramov) -0.1906755E-02 Hb(Abramov) 0.1011640E-02 Ex_ueg -0.4805473E-03 Ec_ueg -0.1072804E-03 Delta_ex -0.6969845E-03 Delta_ec 0.3972006E-03 Delta_et -0.2068413E-02 Pxc 0.4479357E+01 Qxc -0.1754742E+01 3,+1 89 3 -1 1.136516 0.742424 4.005122 Rho 0.1335646E+00 |GRAD(Rho)| 0.1089298E-15 GRAD(Rho)x 0.4231099E-16 GRAD(Rho)y -0.9391901E-17 GRAD(Rho)z 0.9993634E-16 Laplacian 0.5240247E+00 (-1/4)Del**2(Rho)) -0.1310062E+00 Diamond 0.9581468E+00 Metallicity 0.4589308E+01 Ellipticity 0.7121953E-01 Gb(Abramov) 0.1875421E+00 Vb(Abramov) -0.2440780E+00 Hb(Abramov) -0.5653589E-01 Ex_ueg -0.5042436E-01 Ec_ueg -0.7399868E-02 Delta_ex -0.5510470E-01 Delta_ec 0.1439227E-01 Delta_et -0.1896966E+00 Pxc 0.6814224E+01 Qxc -0.3828769E+01 3,-1 90 3 -1 1.406688 3.662299 1.157112 Rho 0.1287947E+00 |GRAD(Rho)| 0.7745173E-16 GRAD(Rho)x 0.5149960E-18 GRAD(Rho)y -0.6058657E-16 GRAD(Rho)z -0.4824700E-16 Laplacian 0.5676950E+00 (-1/4)Del**2(Rho)) -0.1419237E+00 Diamond 0.9674296E+00 Metallicity 0.3987142E+01 Ellipticity 0.3903611E-01 Gb(Abramov) 0.1889275E+00 Vb(Abramov) -0.2359313E+00 Hb(Abramov) -0.4700377E-01 Ex_ueg -0.4803774E-01 Ec_ueg -0.7100231E-02 Delta_ex -0.5886142E-01 Delta_ec 0.1515427E-01 Delta_et -0.1975024E+00 Pxc 0.6765660E+01 Qxc -0.3884148E+01 3,-1 91 3 -1 2.971128 3.025129 1.289614 Rho 0.1660323E+00 |GRAD(Rho)| 0.1214937E-15 GRAD(Rho)x 0.1393200E-16 GRAD(Rho)y -0.8117964E-16 GRAD(Rho)z -0.8931115E-16 Laplacian 0.6420661E+00 (-1/4)Del**2(Rho)) -0.1605165E+00 Diamond 0.1500685E+01 Metallicity 0.5382958E+01 Ellipticity 0.4669256E-01 Gb(Abramov) 0.2510200E+00 Vb(Abramov) -0.3415234E+00 Hb(Abramov) -0.9050344E-01 Ex_ueg -0.6739719E-01 Ec_ueg -0.9477589E-02 Delta_ex -0.7097421E-01 Delta_ec 0.1635666E-01 Delta_et -0.2219104E+00 Pxc 0.7111216E+01 Qxc -0.4339162E+01 3,-1 92 3 -1 1.482824 -2.675357 -0.057930 Rho 0.7599691E-01 |GRAD(Rho)| 0.4039382E-15 GRAD(Rho)x -0.1206471E-15 GRAD(Rho)y 0.2532866E-15 GRAD(Rho)z -0.2906136E-15 Laplacian 0.3276749E+00 (-1/4)Del**2(Rho)) -0.8191873E-01 Diamond 0.3044234E+00 Metallicity 0.2867455E+01 Ellipticity 0.2981637E-01 Gb(Abramov) 0.9376220E-01 Vb(Abramov) -0.1056057E+00 Hb(Abramov) -0.1184346E-01 Ex_ueg -0.2377459E-01 Ec_ueg -0.3895676E-02 Delta_ex -0.3028764E-01 Delta_ec 0.1021330E-01 Delta_et -0.1200163E+00 Pxc 0.6102814E+01 Qxc -0.2965510E+01 3,-1 93 3 -1 1.191318 -3.018687 1.476851 Rho 0.2020357E+00 |GRAD(Rho)| 0.6062958E-15 GRAD(Rho)x -0.4882162E-15 GRAD(Rho)y 0.7860466E-17 GRAD(Rho)z 0.3594130E-15 Laplacian 0.7510790E+00 (-1/4)Del**2(Rho)) -0.1877697E+00 Diamond 0.2190070E+01 Metallicity 0.6382258E+01 Ellipticity 0.3810704E-01 Gb(Abramov) 0.3249123E+00 Vb(Abramov) -0.4620549E+00 Hb(Abramov) -0.1371426E+00 Ex_ueg -0.8755665E-01 Ec_ueg -0.1185436E-01 Delta_ex -0.8699908E-01 Delta_ec 0.1779437E-01 Delta_et -0.2454127E+00 Pxc 0.7386030E+01 Qxc -0.4889136E+01 3,-1 94 3 -1 1.584271 1.490366 -3.288497 Rho 0.2191496E+00 |GRAD(Rho)| 0.4971986E-13 GRAD(Rho)x -0.2567206E-13 GRAD(Rho)y -0.7316386E-14 GRAD(Rho)z 0.4194616E-13 Laplacian 0.8047411E+00 (-1/4)Del**2(Rho)) -0.2011853E+00 Diamond 0.2555245E+01 Metallicity 0.6821159E+01 Ellipticity 0.1723609E-02 Gb(Abramov) 0.3628430E+00 Vb(Abramov) -0.5245007E+00 Hb(Abramov) -0.1616577E+00 Ex_ueg -0.9758267E-01 Ec_ueg -0.1300971E-01 Delta_ex -0.9498362E-01 Delta_ec 0.1829484E-01 Delta_et -0.2525250E+00 Pxc 0.7500758E+01 Qxc -0.5191827E+01 3,-1 95 3 -1 1.865677 1.377008 -1.766324 Rho 0.1312656E+00 |GRAD(Rho)| 0.1560440E-15 GRAD(Rho)x 0.1058181E-15 GRAD(Rho)y 0.1810618E-16 GRAD(Rho)z 0.1132449E-15 Laplacian 0.5710484E+00 (-1/4)Del**2(Rho)) -0.1427621E+00 Diamond 0.1011769E+01 Metallicity 0.4091272E+01 Ellipticity 0.1352989E-01 Gb(Abramov) 0.1925212E+00 Vb(Abramov) -0.2422802E+00 Hb(Abramov) -0.4975906E-01 Ex_ueg -0.4927041E-01 Ec_ueg -0.7255257E-02 Delta_ex -0.5967236E-01 Delta_ec 0.1551831E-01 Delta_et -0.2035227E+00 Pxc 0.6790995E+01 Qxc -0.3845288E+01 3,-1 96 3 -1 1.698504 -0.412709 3.355163 Rho 0.8774260E-01 |GRAD(Rho)| 0.1987223E-12 GRAD(Rho)x 0.7060066E-13 GRAD(Rho)y 0.1794410E-12 GRAD(Rho)z 0.4803145E-13 Laplacian 0.3859051E+00 (-1/4)Del**2(Rho)) -0.9647628E-01 Diamond 0.4315210E+00 Metallicity 0.3093738E+01 Ellipticity 0.5259010E-01 Gb(Abramov) 0.1140629E+00 Vb(Abramov) -0.1316495E+00 Hb(Abramov) -0.1758663E-01 Ex_ueg -0.2879602E-01 Ec_ueg -0.4588732E-02 Delta_ex -0.3693097E-01 Delta_ec 0.1185791E-01 Delta_et -0.1441437E+00 Pxc 0.6275375E+01 Qxc -0.3114459E+01 3,-1 97 3 -1 0.738422 2.333171 -2.227801 Rho 0.1073948E+00 |GRAD(Rho)| 0.1033796E-14 GRAD(Rho)x 0.3834010E-15 GRAD(Rho)y -0.9274672E-15 GRAD(Rho)z -0.2480756E-15 Laplacian 0.4403124E+00 (-1/4)Del**2(Rho)) -0.1100781E+00 Diamond 0.6161317E+00 Metallicity 0.3797438E+01 Ellipticity 0.6447281E-02 Gb(Abramov) 0.1430545E+00 Vb(Abramov) -0.1760310E+00 Hb(Abramov) -0.3297643E-01 Ex_ueg -0.3770184E-01 Ec_ueg -0.5775137E-02 Delta_ex -0.4393234E-01 Delta_ec 0.1262081E-01 Delta_et -0.1597004E+00 Pxc 0.6528302E+01 Qxc -0.3480943E+01 3,-1 98 3 +1 2.087801 -0.067805 -1.146267 Rho 0.1120993E-01 |GRAD(Rho)| 0.2107232E-16 GRAD(Rho)x 0.7749968E-17 GRAD(Rho)y -0.1322254E-16 GRAD(Rho)z 0.1446184E-16 Laplacian 0.5217955E-01 (-1/4)Del**2(Rho)) -0.1304489E-01 Diamond 0.1824513E-02 Metallicity 0.7415115E+00 Ellipticity -0.1256514E+01 Gb(Abramov) 0.1030875E-01 Vb(Abramov) -0.7572607E-02 Hb(Abramov) 0.2736140E-02 Ex_ueg -0.1852916E-02 Ec_ueg -0.4232207E-03 Delta_ex -0.2494001E-02 Delta_ec 0.6321034E-03 Delta_et -0.4697108E-02 Pxc 0.4378132E+01 Qxc -0.3945559E+01 3,+1 99 3 -1 2.230482 1.632467 3.543611 Rho 0.1201955E+00 |GRAD(Rho)| 0.4450936E-15 GRAD(Rho)x 0.2090477E-16 GRAD(Rho)y 0.4433845E-15 GRAD(Rho)z 0.3288690E-16 Laplacian 0.4774274E+00 (-1/4)Del**2(Rho)) -0.1193569E+00 Diamond 0.7652249E+00 Metallicity 0.4225257E+01 Ellipticity 0.4866858E-02 Gb(Abramov) 0.1636235E+00 Vb(Abramov) -0.2078901E+00 Hb(Abramov) -0.4426661E-01 Ex_ueg -0.4380963E-01 Ec_ueg -0.6563898E-02 Delta_ex -0.4891196E-01 Delta_ec 0.1334642E-01 Delta_et -0.1725311E+00 Pxc 0.6674331E+01 Qxc -0.3664800E+01 3,-1 100 3 +1 2.467645 1.878936 1.158503 Rho 0.2229708E-01 |GRAD(Rho)| 0.2895588E-14 GRAD(Rho)x 0.2718959E-14 GRAD(Rho)y -0.6856413E-16 GRAD(Rho)z -0.9934720E-15 Laplacian 0.7802417E-01 (-1/4)Del**2(Rho)) -0.1950604E-01 Diamond 0.7921984E-02 Metallicity 0.1560022E+01 Ellipticity -0.3099115E+01 Gb(Abramov) 0.1807567E-01 Vb(Abramov) -0.1664530E-01 Hb(Abramov) 0.1430373E-02 Ex_ueg -0.4634992E-02 Ec_ueg -0.9536134E-03 Delta_ex -0.4606443E-02 Delta_ec 0.1144176E-02 Delta_et -0.9874077E-02 Pxc 0.4860452E+01 Qxc -0.4025990E+01 3,+1 101 3 +1 1.853329 2.002376 2.362981 Rho 0.2698298E-01 |GRAD(Rho)| 0.1861549E-16 GRAD(Rho)x -0.7300753E-17 GRAD(Rho)y -0.1092682E-17 GRAD(Rho)z -0.1708923E-16 Laplacian 0.9961031E-01 (-1/4)Del**2(Rho)) -0.2490258E-01 Diamond 0.1422772E-01 Metallicity 0.1679289E+01 Ellipticity -0.5787216E+01 Gb(Abramov) 0.2357149E-01 Vb(Abramov) -0.2224040E-01 Hb(Abramov) 0.1331089E-02 Ex_ueg -0.5977299E-02 Ec_ueg -0.1189063E-02 Delta_ex -0.6299190E-02 Delta_ec 0.1647551E-02 Delta_et -0.1482309E-01 Pxc 0.5026897E+01 Qxc -0.3823366E+01 3,+1 102 3 -1 2.368856 0.931428 0.932012 Rho 0.4136035E-01 |GRAD(Rho)| 0.6960754E-16 GRAD(Rho)x -0.6433003E-16 GRAD(Rho)y 0.5195382E-17 GRAD(Rho)z 0.2607422E-16 Laplacian 0.1613842E+00 (-1/4)Del**2(Rho)) -0.4034606E-01 Diamond 0.6131580E-01 Metallicity 0.2112155E+01 Ellipticity 0.8727130E-01 Gb(Abramov) 0.4110023E-01 Vb(Abramov) -0.4185439E-01 Hb(Abramov) -0.7541673E-03 Ex_ueg -0.1056406E-01 Ec_ueg -0.1943189E-02 Delta_ex -0.1256328E-01 Delta_ec 0.4627187E-02 Delta_et -0.4637596E-01 Pxc 0.5436452E+01 Qxc -0.2715100E+01 3,-1 103 3 +1 2.346612 0.728544 2.113443 Rho 0.2910017E-01 |GRAD(Rho)| 0.3214972E-16 GRAD(Rho)x 0.2784748E-16 GRAD(Rho)y -0.1508578E-16 GRAD(Rho)z 0.5526453E-17 Laplacian 0.1127944E+00 (-1/4)Del**2(Rho)) -0.2819861E-01 Diamond 0.1682442E-01 Metallicity 0.1681969E+01 Ellipticity -0.3238818E+01 Gb(Abramov) 0.2670394E-01 Vb(Abramov) -0.2520927E-01 Hb(Abramov) 0.1494671E-02 Ex_ueg -0.6610675E-02 Ec_ueg -0.1297287E-02 Delta_ex -0.7186386E-02 Delta_ec 0.1698604E-02 Delta_et -0.1557873E-01 Pxc 0.5095769E+01 Qxc -0.4230761E+01 3,+1 104 3 -1 1.682751 0.889460 2.524138 Rho 0.5083446E-01 |GRAD(Rho)| 0.3502658E-15 GRAD(Rho)x 0.7498317E-16 GRAD(Rho)y -0.5934863E-16 GRAD(Rho)z 0.3369590E-15 Laplacian 0.2126986E+00 (-1/4)Del**2(Rho)) -0.5317465E-01 Diamond 0.1159012E+00 Metallicity 0.2260020E+01 Ellipticity 0.1751973E-01 Gb(Abramov) 0.5547906E-01 Vb(Abramov) -0.5778347E-01 Hb(Abramov) -0.2304412E-02 Ex_ueg -0.1390794E-01 Ec_ueg -0.2461052E-02 Delta_ex -0.1781805E-01 Delta_ec 0.6760180E-02 Delta_et -0.7171960E-01 Pxc 0.5651217E+01 Qxc -0.2635736E+01 3,-1 105 3 -1 2.590961 0.379447 4.436349 Rho 0.2180288E+00 |GRAD(Rho)| 0.2001423E-12 GRAD(Rho)x -0.1040551E-12 GRAD(Rho)y 0.4300271E-13 GRAD(Rho)z -0.1654697E-12 Laplacian 0.8275496E+00 (-1/4)Del**2(Rho)) -0.2068874E+00 Diamond 0.2589376E+01 Metallicity 0.6576713E+01 Ellipticity 0.1100847E-02 Gb(Abramov) 0.3646981E+00 Vb(Abramov) -0.5225088E+00 Hb(Abramov) -0.1578107E+00 Ex_ueg -0.9691780E-01 Ec_ueg -0.1293355E-01 Delta_ex -0.9741252E-01 Delta_ec 0.1860166E-01 Delta_et -0.2557516E+00 Pxc 0.7493521E+01 Qxc -0.5236764E+01 3,-1 106 3 -1 0.262659 1.362613 -1.450218 Rho 0.3180323E-01 |GRAD(Rho)| 0.2207638E-16 GRAD(Rho)x -0.1623889E-16 GRAD(Rho)y 0.2247423E-17 GRAD(Rho)z 0.1478560E-16 Laplacian 0.1267497E+00 (-1/4)Del**2(Rho)) -0.3168742E-01 Diamond 0.3613554E-01 Metallicity 0.1735608E+01 Ellipticity 0.6218704E-01 Gb(Abramov) 0.3029111E-01 Vb(Abramov) -0.2889479E-01 Hb(Abramov) 0.1396317E-02 Ex_ueg -0.7441835E-02 Ec_ueg -0.1436990E-02 Delta_ex -0.9438032E-02 Delta_ec 0.3985098E-02 Delta_et -0.3719507E-01 Pxc 0.5178767E+01 Qxc -0.2368331E+01 3,-1 107 3 -1 2.875089 0.430085 2.889429 Rho 0.1036629E+00 |GRAD(Rho)| 0.5995714E-14 GRAD(Rho)x -0.1682099E-14 GRAD(Rho)y 0.5434021E-14 GRAD(Rho)z 0.1894874E-14 Laplacian 0.4268427E+00 (-1/4)Del**2(Rho)) -0.1067107E+00 Diamond 0.5717476E+00 Metallicity 0.3693041E+01 Ellipticity 0.9792249E-02 Gb(Abramov) 0.1368216E+00 Vb(Abramov) -0.1669325E+00 Hb(Abramov) -0.3011092E-01 Ex_ueg -0.3596522E-01 Ec_ueg -0.5547466E-02 Delta_ex -0.4223034E-01 Delta_ec 0.1231252E-01 Delta_et -0.1546857E+00 Pxc 0.6483181E+01 Qxc -0.3429869E+01 3,-1 108 3 -1 2.547744 4.353461 1.981151 Rho 0.2144154E+00 |GRAD(Rho)| 0.6884854E-14 GRAD(Rho)x 0.4014963E-14 GRAD(Rho)y -0.4493801E-14 GRAD(Rho)z -0.3329720E-14 Laplacian 0.8069250E+00 (-1/4)Del**2(Rho)) -0.2017312E+00 Diamond 0.2479624E+01 Metallicity 0.6559539E+01 Ellipticity 0.4360455E-02 Gb(Abramov) 0.3550315E+00 Vb(Abramov) -0.5083318E+00 Hb(Abramov) -0.1533003E+00 Ex_ueg -0.9478211E-01 Ec_ueg -0.1268848E-01 Delta_ex -0.9460642E-01 Delta_ec 0.1827997E-01 Delta_et -0.2513050E+00 Pxc 0.7469933E+01 Qxc -0.5175414E+01 3,-1 109 3 -1 3.086831 -0.212849 0.111584 Rho 0.1743590E+00 |GRAD(Rho)| 0.4325758E-15 GRAD(Rho)x 0.2247958E-15 GRAD(Rho)y 0.3406021E-15 GRAD(Rho)z 0.1434535E-15 Laplacian 0.7272599E+00 (-1/4)Del**2(Rho)) -0.1818150E+00 Diamond 0.1754933E+01 Metallicity 0.5156213E+01 Ellipticity 0.1975085E-01 Gb(Abramov) 0.2774561E+00 Vb(Abramov) -0.3730973E+00 Hb(Abramov) -0.9564114E-01 Ex_ueg -0.7194119E-01 Ec_ueg -0.1002067E-01 Delta_ex -0.8098567E-01 Delta_ec 0.1760256E-01 Delta_et -0.2383466E+00 Pxc 0.7179277E+01 Qxc -0.4600790E+01 3,-1 110 3 -1 2.972418 1.066840 -0.436526 Rho 0.1416565E+00 |GRAD(Rho)| 0.1528788E-15 GRAD(Rho)x 0.1119439E-16 GRAD(Rho)y -0.1178934E-15 GRAD(Rho)z 0.9668373E-16 Laplacian 0.5702323E+00 (-1/4)Del**2(Rho)) -0.1425581E+00 Diamond 0.1083338E+01 Metallicity 0.4651813E+01 Ellipticity 0.2989444E-01 Gb(Abramov) 0.2055643E+00 Vb(Abramov) -0.2685705E+00 Hb(Abramov) -0.6300623E-01 Ex_ueg -0.5453816E-01 Ec_ueg -0.7911569E-02 Delta_ex -0.6043406E-01 Delta_ec 0.1476052E-01 Delta_et -0.1950639E+00 Pxc 0.6893469E+01 Qxc -0.4094304E+01 3,-1 111 3 -1 3.517003 0.470762 1.366645 Rho 0.1577652E+00 |GRAD(Rho)| 0.2367761E-15 GRAD(Rho)x -0.3658166E-16 GRAD(Rho)y -0.4464202E-16 GRAD(Rho)z 0.2296340E-15 Laplacian 0.6028372E+00 (-1/4)Del**2(Rho)) -0.1507093E+00 Diamond 0.1298686E+01 Metallicity 0.5265403E+01 Ellipticity 0.3044041E-01 Gb(Abramov) 0.2327304E+00 Vb(Abramov) -0.3147515E+00 Hb(Abramov) -0.8202110E-01 Ex_ueg -0.6296026E-01 Ec_ueg -0.8942435E-02 Delta_ex -0.6555639E-01 Delta_ec 0.1511486E-01 Delta_et -0.2026097E+00 Pxc 0.7040617E+01 Qxc -0.4337216E+01 3,-1 112 3 -1 3.537534 1.710198 0.637225 Rho 0.1085465E+00 |GRAD(Rho)| 0.1527496E-15 GRAD(Rho)x -0.2474649E-16 GRAD(Rho)y -0.1499452E-15 GRAD(Rho)z 0.1537873E-16 Laplacian 0.4271954E+00 (-1/4)Del**2(Rho)) -0.1067988E+00 Diamond 0.5843591E+00 Metallicity 0.3984250E+01 Ellipticity 0.1953513E-01 Gb(Abramov) 0.1421181E+00 Vb(Abramov) -0.1774374E+00 Hb(Abramov) -0.3531928E-01 Ex_ueg -0.3824192E-01 Ec_ueg -0.5845617E-02 Delta_ex -0.4240527E-01 Delta_ec 0.1163695E-01 Delta_et -0.1467820E+00 Pxc 0.6541982E+01 Qxc -0.3644020E+01 3,-1 113 3 -1 4.368070 0.570309 0.081251 Rho 0.2383444E+00 |GRAD(Rho)| 0.2652391E-15 GRAD(Rho)x 0.2445960E-15 GRAD(Rho)y 0.8845734E-16 GRAD(Rho)z -0.5196039E-16 Laplacian 0.8665967E+00 (-1/4)Del**2(Rho)) -0.2166492E+00 Diamond 0.3037933E+01 Metallicity 0.7285696E+01 Ellipticity 0.1941729E-02 Gb(Abramov) 0.4075061E+00 Vb(Abramov) -0.5983631E+00 Hb(Abramov) -0.1908570E+00 Ex_ueg -0.1091419E+00 Ec_ueg -0.1432474E-01 Delta_ex -0.1045052E+00 Delta_ec 0.1916832E-01 Delta_et -0.2653857E+00 Pxc 0.7619121E+01 Qxc -0.5451972E+01 3,-1 114 3 -1 -3.021764 0.960701 -2.715041 Rho 0.2149657E+00 |GRAD(Rho)| 0.6547023E-15 GRAD(Rho)x 0.4879994E-15 GRAD(Rho)y 0.7365799E-17 GRAD(Rho)z 0.4363914E-15 Laplacian 0.8127753E+00 (-1/4)Del**2(Rho)) -0.2031938E+00 Diamond 0.2502438E+01 Metallicity 0.6540206E+01 Ellipticity 0.2521893E-02 Gb(Abramov) 0.3569508E+00 Vb(Abramov) -0.5107077E+00 Hb(Abramov) -0.1537570E+00 Ex_ueg -0.9510661E-01 Ec_ueg -0.1272576E-01 Delta_ex -0.9533767E-01 Delta_ec 0.1836750E-01 Delta_et -0.2524247E+00 Pxc 0.7473551E+01 Qxc -0.5190564E+01 3,-1 115 3 -1 -2.225008 -1.348936 -0.557542 Rho 0.1454825E+00 |GRAD(Rho)| 0.3566124E-15 GRAD(Rho)x 0.8658032E-16 GRAD(Rho)y -0.2836273E-15 GRAD(Rho)z 0.1980702E-15 Laplacian 0.5945046E+00 (-1/4)Del**2(Rho)) -0.1486262E+00 Diamond 0.1170844E+01 Metallicity 0.4664542E+01 Ellipticity 0.2883366E-01 Gb(Abramov) 0.2146296E+00 Vb(Abramov) -0.2806330E+00 Hb(Abramov) -0.6600344E-01 Ex_ueg -0.5651095E-01 Ec_ueg -0.8154957E-02 Delta_ex -0.6346591E-01 Delta_ec 0.1537498E-01 Delta_et -0.2041756E+00 Pxc 0.6929644E+01 Qxc -0.4127869E+01 3,-1 116 3 -1 -2.549979 -1.659022 0.830518 Rho 0.2258055E+00 |GRAD(Rho)| 0.4627739E-08 GRAD(Rho)x 0.2315056E-08 GRAD(Rho)y -0.2105535E-08 GRAD(Rho)z -0.3409282E-08 Laplacian 0.8771913E+00 (-1/4)Del**2(Rho)) -0.2192978E+00 Diamond 0.2845208E+01 Metallicity 0.6577733E+01 Ellipticity 0.1649466E-01 Gb(Abramov) 0.3866123E+00 Vb(Abramov) -0.5539268E+00 Hb(Abramov) -0.1673145E+00 Ex_ueg -0.1015541E+00 Ec_ueg -0.1346341E-01 Delta_ex -0.1040963E+00 Delta_ec 0.1933746E-01 Delta_et -0.2655830E+00 Pxc 0.7542975E+01 Qxc -0.5383145E+01 3,-1 117 3 -1 -1.536378 -2.625068 0.955543 Rho 0.8570990E-01 |GRAD(Rho)| 0.1679255E-12 GRAD(Rho)x -0.1402137E-12 GRAD(Rho)y -0.6937982E-13 GRAD(Rho)z -0.6103710E-13 Laplacian 0.3276425E+00 (-1/4)Del**2(Rho)) -0.8191062E-01 Diamond 0.3382392E+00 Metallicity 0.3504273E+01 Ellipticity 0.1714182E-01 Gb(Abramov) 0.1024466E+00 Vb(Abramov) -0.1229826E+00 Hb(Abramov) -0.2053599E-01 Ex_ueg -0.2790999E-01 Ec_ueg -0.4467874E-02 Delta_ex -0.3081510E-01 Delta_ec 0.9445214E-02 Delta_et -0.1136314E+00 Pxc 0.6246818E+01 Qxc -0.3262509E+01 3,-1 118 3 +1 -0.390484 1.234737 -1.871616 Rho 0.2038760E-01 |GRAD(Rho)| 0.5844115E-14 GRAD(Rho)x -0.3121076E-14 GRAD(Rho)y -0.8327130E-15 GRAD(Rho)z -0.4870231E-14 Laplacian 0.6780407E-01 (-1/4)Del**2(Rho)) -0.1695102E-01 Diamond 0.5316600E-02 Metallicity 0.1546325E+01 Ellipticity -0.2217390E+01 Gb(Abramov) 0.1566931E-01 Vb(Abramov) -0.1438760E-01 Hb(Abramov) 0.1281708E-02 Ex_ueg -0.4113453E-02 Ec_ueg -0.8594156E-03 Delta_ex -0.3797922E-02 Delta_ec 0.7987808E-03 Delta_et -0.6829846E-02 Pxc 0.4786337E+01 Qxc -0.4754648E+01 3,+1 119 3 -1 -1.612464 2.266497 1.686638 Rho 0.4666092E-01 |GRAD(Rho)| 0.6363482E-16 GRAD(Rho)x 0.1822879E-16 GRAD(Rho)y -0.4456752E-16 GRAD(Rho)z 0.4160333E-16 Laplacian 0.1246791E+00 (-1/4)Del**2(Rho)) -0.3116978E-01 Diamond 0.8781216E-01 Metallicity 0.3342527E+01 Ellipticity 0.1200080E-01 Gb(Abramov) 0.3814416E-01 Vb(Abramov) -0.4511854E-01 Hb(Abramov) -0.6974379E-02 Ex_ueg -0.1240670E-01 Ec_ueg -0.2231150E-02 Delta_ex -0.1151695E-01 Delta_ec 0.6271615E-02 Delta_et -0.6552507E-01 Pxc 0.5560672E+01 Qxc -0.1836362E+01 3,-1 120 3 -1 -1.220716 -2.451607 -0.449333 Rho 0.1059661E+00 |GRAD(Rho)| 0.3437779E-15 GRAD(Rho)x -0.3014014E-15 GRAD(Rho)y 0.3334260E-16 GRAD(Rho)z 0.1619527E-15 Laplacian 0.4247891E+00 (-1/4)Del**2(Rho)) -0.1061973E+00 Diamond 0.5582285E+00 Metallicity 0.3849327E+01 Ellipticity 0.1377631E-01 Gb(Abramov) 0.1389295E+00 Vb(Abramov) -0.1716618E+00 Hb(Abramov) -0.3273224E-01 Ex_ueg -0.3703460E-01 Ec_ueg -0.5687853E-02 Delta_ex -0.4182960E-01 Delta_ec 0.1145814E-01 Delta_et -0.1436330E+00 Pxc 0.6511174E+01 Qxc -0.3650646E+01 3,-1 121 3 -1 -0.775048 0.985719 1.600678 Rho 0.1932463E+00 |GRAD(Rho)| 0.3513459E-13 GRAD(Rho)x 0.1017936E-13 GRAD(Rho)y -0.3090583E-13 GRAD(Rho)z -0.1325329E-13 Laplacian 0.5063004E+00 (-1/4)Del**2(Rho)) -0.1265751E+00 Diamond 0.1360895E+01 Metallicity 0.8791374E+01 Ellipticity 0.1255891E-01 Gb(Abramov) 0.2698449E+00 Vb(Abramov) -0.4131147E+00 Hb(Abramov) -0.1432698E+00 Ex_ueg -0.8251506E-01 Ec_ueg -0.1126733E-01 Delta_ex -0.5771212E-01 Delta_ec 0.1165079E-01 Delta_et -0.1584550E+00 Pxc 0.7323390E+01 Qxc -0.4953495E+01 3,-1 122 3 -1 -0.682188 1.117557 3.165312 Rho 0.3942261E-01 |GRAD(Rho)| 0.6647023E-16 GRAD(Rho)x 0.6071991E-16 GRAD(Rho)y -0.2072065E-16 GRAD(Rho)z -0.1737926E-16 Laplacian 0.1143525E+00 (-1/4)Del**2(Rho)) -0.2858813E-01 Diamond 0.6167226E-01 Metallicity 0.2751755E+01 Ellipticity 0.1449184E-01 Gb(Abramov) 0.3217001E-01 Vb(Abramov) -0.3575189E-01 Hb(Abramov) -0.3581878E-02 Ex_ueg -0.9909360E-02 Ec_ueg -0.1839132E-02 Delta_ex -0.1003676E-01 Delta_ec 0.5495267E-02 Delta_et -0.5461849E-01 Pxc 0.5388064E+01 Qxc -0.1826438E+01 3,-1 123 3 -1 -0.946886 4.649231 -0.864029 Rho 0.2392406E+00 |GRAD(Rho)| 0.9724424E-14 GRAD(Rho)x 0.3652243E-14 GRAD(Rho)y 0.6918511E-14 GRAD(Rho)z 0.5775789E-14 Laplacian 0.8911515E+00 (-1/4)Del**2(Rho)) -0.2227879E+00 Diamond 0.3115892E+01 Metallicity 0.7129402E+01 Ellipticity 0.2463129E-02 Gb(Abramov) 0.4132493E+00 Vb(Abramov) -0.6037108E+00 Hb(Abramov) -0.1904614E+00 Ex_ueg -0.1096895E+00 Ec_ueg -0.1438664E-01 Delta_ex -0.1074526E+00 Delta_ec 0.1947709E-01 Delta_et -0.2687608E+00 Pxc 0.7624401E+01 Qxc -0.5516873E+01 3,-1 124 3 -1 -0.393849 1.046811 0.293199 Rho 0.1721355E+00 |GRAD(Rho)| 0.2369826E-12 GRAD(Rho)x 0.4147984E-13 GRAD(Rho)y -0.9211729E-13 GRAD(Rho)z 0.2143702E-12 Laplacian 0.4473528E+00 (-1/4)Del**2(Rho)) -0.1118382E+00 Diamond 0.1089148E+01 Metallicity 0.8205036E+01 Ellipticity 0.1073869E-01 Gb(Abramov) 0.2274982E+00 Vb(Abramov) -0.3431582E+00 Hb(Abramov) -0.1156600E+00 Ex_ueg -0.7072057E-01 Ec_ueg -0.9875257E-02 Delta_ex -0.4987276E-01 Delta_ec 0.1125134E-01 Delta_et -0.1532293E+00 Pxc 0.7161390E+01 Qxc -0.4432608E+01 3,-1 125 3 -1 -0.241580 1.015386 3.842753 Rho 0.3166524E+00 |GRAD(Rho)| 0.4899132E-15 GRAD(Rho)x 0.3730541E-15 GRAD(Rho)y -0.2167316E-15 GRAD(Rho)z 0.2321057E-15 Laplacian -0.1580687E+01 (-1/4)Del**2(Rho)) 0.3951718E+00 Diamond 0.5487219E+01 Metallicity -0.6413156E+01 Ellipticity 0.8611537E-03 Gb(Abramov) 0.1589352E+00 Vb(Abramov) -0.7130421E+00 Hb(Abramov) -0.5541070E+00 Ex_ueg -0.1594026E+00 Ec_ueg -0.1989913E-01 Delta_ex 0.1566417E+00 Delta_ec 0.5536132E-01 Delta_et -0.1307724E+01 Pxc 0.8010529E+01 Qxc 0.2829443E+01 3,-1 126 3 -1 1.018947 -2.002383 2.709616 Rho 0.1767171E+00 |GRAD(Rho)| 0.1483275E-13 GRAD(Rho)x -0.5230462E-15 GRAD(Rho)y 0.1351116E-13 GRAD(Rho)z -0.6097987E-14 Laplacian 0.7293780E+00 (-1/4)Del**2(Rho)) -0.1823445E+00 Diamond 0.1764542E+01 Metallicity 0.5257650E+01 Ellipticity 0.2411566E-01 Gb(Abramov) 0.2813469E+00 Vb(Abramov) -0.3803493E+00 Hb(Abramov) -0.9900242E-01 Ex_ueg -0.7324140E-01 Ec_ueg -0.1017521E-01 Delta_ex -0.8130302E-01 Delta_ec 0.1724688E-01 Delta_et -0.2328555E+00 Pxc 0.7198026E+01 Qxc -0.4714072E+01 3,-1 127 3 -1 1.199756 -1.308064 -1.658445 Rho 0.1450160E+00 |GRAD(Rho)| 0.3895989E-11 GRAD(Rho)x -0.4643467E-12 GRAD(Rho)y 0.3062234E-11 GRAD(Rho)z -0.2363437E-11 Laplacian 0.6150096E+00 (-1/4)Del**2(Rho)) -0.1537524E+00 Diamond 0.1222516E+01 Metallicity 0.4484952E+01 Ellipticity 0.1287019E-01 Gb(Abramov) 0.2174303E+00 Vb(Abramov) -0.2811082E+00 Hb(Abramov) -0.6367789E-01 Ex_ueg -0.5626949E-01 Ec_ueg -0.8125233E-02 Delta_ex -0.6576966E-01 Delta_ec 0.1621457E-01 Delta_et -0.2158673E+00 Pxc 0.6925276E+01 Qxc -0.4056209E+01 3,-1 128 3 -1 2.283542 2.982573 2.685375 Rho 0.1442468E+00 |GRAD(Rho)| 0.7262016E-15 GRAD(Rho)x -0.1255811E-16 GRAD(Rho)y -0.1545801E-15 GRAD(Rho)z 0.7094477E-15 Laplacian 0.5738788E+00 (-1/4)Del**2(Rho)) -0.1434697E+00 Diamond 0.1124332E+01 Metallicity 0.4763978E+01 Ellipticity 0.3649563E-01 Gb(Abramov) 0.2095609E+00 Vb(Abramov) -0.2756521E+00 Hb(Abramov) -0.6609118E-01 Ex_ueg -0.5587186E-01 Ec_ueg -0.8076247E-02 Delta_ex -0.6119568E-01 Delta_ec 0.1497805E-01 Delta_et -0.1988811E+00 Pxc 0.6918048E+01 Qxc -0.4085690E+01 3,-1 129 3 -1 -1.812579 2.941591 1.350135 Rho 0.3089380E+00 |GRAD(Rho)| 0.3967125E-13 GRAD(Rho)x 0.1782489E-13 GRAD(Rho)y 0.2460994E-13 GRAD(Rho)z -0.2550358E-13 Laplacian -0.1537835E+01 (-1/4)Del**2(Rho)) 0.3844588E+00 Diamond 0.5255857E+01 Metallicity -0.6326385E+01 Ellipticity 0.2297047E-02 Gb(Abramov) 0.1490665E+00 Vb(Abramov) -0.6825919E+00 Hb(Abramov) -0.5335253E+00 Ex_ueg -0.1542459E+00 Ec_ueg -0.1933494E-01 Delta_ex 0.1506442E+00 Delta_ec 0.5436159E-01 Delta_et -0.1269380E+01 Pxc 0.7977570E+01 Qxc 0.2771150E+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 79 126 93 70 86 52 61 60 75 123 63 74 102 113 109 110 111 112 66 115 116 120 117 94 106 87 95 54 97 108 82 90 128 91 104 89 96 99 107 105 69 46 127 76 77 92 56 50 114 55 53 73 49 121 119 122 124 83 125 129 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 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 14 15 16 17 23 13 24 33 39 41 5 15 23 25 26 34 40 16 21 22 27 35 38 13 18 28 29 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 28 36 42 43 36 36 43 42 2.495655 1.848719 1.807808 1.849522 1.748575 1.758999 2.353642 1.950016 1.948303 1.744244 1.978290 1.905436 2.451613 1.746452 1.854799 1.940805 1.907527 2.052840 2.313959 1.924580 1.766694 2.066418 2.146045 1.779383 2.563061 1.978186 1.958733 2.079575 2.051106 1.786847 2.446398 1.962890 1.935942 1.881439 2.364290 1.972493 2.112545 2.008402 2.065688 1.780309 2.569283 1.784563 1.922742 2.059494 1.928590 2.177350 2.386109 1.975736 1.785835 1.870511 1.956909 1.727152 3.131259 1.683440 1.707440 1.778483 1.731143 1.730364 0.998386 1.006371 2.497387 1.848846 1.807984 1.850007 1.748584 1.759026 2.355086 1.951483 1.948511 1.744256 1.978900 1.905969 2.452995 1.746457 1.855086 1.941085 1.908071 2.053583 2.315254 1.924777 1.766845 2.066965 2.146868 1.779389 2.564532 1.978340 1.959101 2.080170 2.051447 1.786853 2.448179 1.963099 1.936247 1.881620 2.366128 1.973662 2.112686 2.008870 2.066022 1.780321 2.571138 1.784576 1.922955 2.059647 1.928992 2.178105 2.388139 1.975939 1.785843 1.870638 1.957330 1.727227 3.198860 1.683490 1.711900 1.785045 1.731174 1.730409 0.998446 1.006448 29 24 25 22 23 24 32 29 25 24 28 27 27 24 24 25 25 26 30 26 25 26 27 24 29 26 26 27 25 25 28 27 26 25 27 26 27 26 28 26 29 24 25 25 25 27 30 28 23 29 27 23 35 22 24 25 22 23 19 19 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 W O W W W Ta Ta O O Ta Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.4432 -0.8429 2.4555 2.4455 2.3506 2.2291 2.2476 -0.9105 -0.9297 2.2247 2.1974 2.2490 -1.0890 -0.9165 -1.1081 -1.1068 -0.8561 -1.0318 -0.9213 -1.0171 -0.8219 -0.9664 -0.8130 -0.9998 -1.0271 -0.8088 -0.9937 -0.8235 -1.0362 -0.9225 -1.0098 -1.0362 -0.9497 -1.0152 -1.0031 2.2840 -0.9071 -1.0107 -0.9798 -0.9968 -0.8301 0.2739 0.2810 2.0892 1.9557 2.1201 2.1133 2.1391 2.1169 2.1014 1.9469 1.9459 2.1244 2.1222 2.1007 1.9348 1.9584 1.9301 1.9288 1.8687 1.9234 1.9453 1.9246 1.9613 1.9329 1.8729 1.9295 1.9226 1.9618 1.9273 1.9557 1.9331 1.9461 1.9386 1.9324 1.9515 1.9351 1.9380 0.8792 1.9463 1.9394 1.9432 1.9381 1.9622 0.5629 0.5632 6.1056 4.8550 6.1010 6.1015 6.1138 6.0794 6.0664 4.9353 4.9559 6.0806 6.0795 6.0647 5.1189 4.9227 5.1442 5.1438 4.9592 5.0829 4.9482 5.0664 4.8265 5.0041 4.9107 5.0435 5.0795 4.8127 5.0391 4.8358 5.0773 4.9484 5.0408 5.0759 4.9630 5.0507 5.0372 1.2788 4.9328 5.0398 5.0043 5.0304 4.8336 0.1632 0.1558 3.3346 0.0322 3.2943 3.3105 3.3678 2.5411 2.5528 0.0283 0.0279 2.5371 2.5678 2.5537 0.0352 0.0354 0.0339 0.0341 0.0282 0.0255 0.0278 0.0260 0.0341 0.0294 0.0295 0.0268 0.0250 0.0344 0.0274 0.0321 0.0258 0.0280 0.0304 0.0279 0.0353 0.0294 0.0279 10.5581 0.0281 0.0315 0.0323 0.0283 0.0343 0.0000 0.0000 14.0274 0.0000 14.0291 14.0292 14.0287 14.0335 14.0318 0.0000 0.0000 14.0332 14.0331 14.0319 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 W O W W W Ta Ta O O Ta Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O H H 2.427299 -0.897530 2.511319 2.498271 2.471541 2.358908 2.301468 -0.982812 -1.005618 2.370937 2.343190 2.308869 -1.096626 -0.853268 -1.111575 -1.113562 -0.690458 -1.028938 -0.996471 -1.034831 -0.863007 -0.979620 -0.659194 -1.004186 -1.028059 -0.850070 -1.011208 -0.894180 -1.040504 -0.998573 -1.004772 -1.034076 -0.938994 -1.006244 -1.000259 2.294552 -0.979711 -0.996693 -0.965866 -0.992331 -0.872529 0.025376 0.020034 1.914818 -0.805875 1.955774 1.937299 1.937535 1.851581 1.825064 -0.909269 -0.928503 1.883492 1.840903 1.836099 -0.755189 -0.675936 -0.767625 -0.763296 -0.877901 -0.771995 -0.924021 -0.800443 -0.769944 -0.741998 -0.816310 -0.761231 -0.758271 -0.741731 -0.756038 -0.811273 -0.872808 -0.920961 -0.863260 -0.862770 -0.784498 -0.825025 -0.830766 1.693848 -0.888094 -0.846418 -0.799359 -0.821539 -0.765483 0.263129 0.278290 2.016487 -0.777504 2.044796 2.043925 2.024938 1.960187 1.948233 -0.877166 -0.917141 1.991902 1.945349 1.993275 -0.838615 -0.724505 -0.823133 -0.822586 -0.914874 -0.875267 -0.895550 -0.895868 -0.731989 -0.821468 -0.841081 -0.883101 -0.861600 -0.711860 -0.846487 -0.818048 -0.936035 -0.921757 -0.891393 -0.932971 -0.787588 -0.893469 -0.894089 1.687907 -0.869489 -0.877447 -0.835699 -0.886320 -0.749970 0.323564 0.373507 -17.71703062 -12.45509851 -5.61974330 22.37418530 20.81048384 -38.21438801 -70.68044393 -24.04719862 3.26875965 3.23671477 -294.4032 337.1584 -37.8715 -336.6272 -44.4883 -376.2319 Jun20-2024 03:43:00 Nodes: 1 Procs: 1 Jun20-2024 03:43:01 Nodes: 1 Procs: 1 0 Jun20-2024 03:43:04 Nodes: 1 Procs: 1 Jun20-2024 03:43:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 03:43:09 Nodes: 1 Procs: 1 Jun20-2024 03:43:11 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 03:43:15 Nodes: 1 Procs: 1 Jun20-2024 03:43:16 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 03:43:18 Nodes: 1 Procs: 1 Jun20-2024 03:43:21 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 03:43:25 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -13.29842061 -13.56327160 -13.65266437 -13.69291984 -13.74708353 -13.75729541 -13.76344510 -13.77881590 -13.78106130 -13.78362158 -13.78637947 -13.78720910 -13.78861875 -13.78953045 -13.79096294 -13.79367696 -13.79474528 -13.79502436 -13.79688949 -13.79858200 -13.80094587 -13.80377150 -13.80626156 -13.80572945 -13.80850314 -13.81034890 -13.81168291 -13.81218069 -13.81232894 -13.81264915 -13.81293235 -13.81317265 -13.81341626 -13.81352609 -13.81371291 -13.81381754 -13.81390692 -13.81388078 -13.81401239 -13.81449756 -13.81480994 -13.81582606 -13.81671744 -13.81673699 -13.81558518 -13.81812627 -13.81977486 -13.82092738 -13.82212091 -13.82430756 -13.82539533 -13.82552441 -13.82594136 -13.82606815 -13.82613157 -13.82619802 -13.82622699 -13.82625053 -13.82626116 -13.82626147 -13.82626241 -13.82626694 GEOMETRY CONVERGED