ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 18:18:04 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.58 0.04 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Mar10-2024 18:18:04 Nodes: 1 Procs: 1 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 18:18:05 Phosphorus (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Mar10-2024 18:18:04 Nodes: 1 Procs: 1 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 0 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 Mar10-2024 18:18:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 18:18:06 Phosphorus (TZP, 1s frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.05 1.42 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 Mar10-2024 18:18:04 Nodes: 1 Procs: 1 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 0 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 Mar10-2024 18:18:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 18:18:06 Nodes: 1 Procs: 1 Mar10-2024 18:18:07 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar10-2024 18:18:09 Phosphorus (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 2181.5151609999994 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AuxInfo=1/0/N:13,14,15,16,36;2;8;9;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;1;3;4;5;6;7;10;11;12/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:41nWO1WWWWWO1O1WWWO1O1O1O1O1OO1OO1OO1OOO1OO1OO1OOOOOP4O1OOOO1/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;/rC:-.8686,-3.5808,.504;3.6413,-3.5758,-.2568;.9914,3.2301,-.3113;-2.1407,.2629,2.9734;2.2998,-2.4722,-.3121;1.2988,1.7215,2.9733;-2.6669,2.5431,.5021;1.7702,2.3286,4.5232;-3.632,3.9631,.3258;-3.2923,-.755,-.3101;.8424,-1.9872,2.9737;3.5345,1.0387,.503;.4136,-1.4063,.547;.0008,-.0011,-1.593;1.0113,1.0608,.5458;-1.4237,.3452,.5465;-2.9255,-.7795,-2.0088;3.1753,-.7415,.094;1.1323,-2.6977,4.5242;1.5078,-.2681,3.1848;-2.9009,.3691,4.5238;-.9867,-1.1744,3.1837;.7891,2.9246,-2.0102;-2.23,-2.3792,.0954;-.9456,3.1226,.0936;1.2767,4.9435,-.2562;-.5227,1.4391,3.1838;2.1374,-2.144,-2.011;2.1394,-2.6955,1.9105;5.2468,1.1646,.3281;3.2477,1.3737,2.2592;-3.673,1.2385,-.3474;-.4339,-3.5018,2.2601;2.9086,2.5618,-.3481;-3.4039,-.5044,1.9098;.0004,-.0006,-.1069;-4.9185,-1.3658,-.2561;-2.8137,2.126,2.2579;.7635,-3.7989,-.3472;1.2643,3.1989,1.9093;-1.6147,-5.127,.3264;/R:/0/N:9,30,41,17,37,23,26,2,28,21,8,19,32,34,39,25,24,18,38,31,33,35,40,29,27,22,20,7,12,1,10,3,5,4,6,11;13,14,15,16,36/E:(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);(1,2,3,4)/CRV:1.1,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1;1.1,2.1,3.1,4.1,5.4 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.297 -7.297 -7.107 -7.087 -7.087 -6.929 -6.927 -6.894 -6.494 -6.493 -3.687 -3.684 -3.360 -3.170 -3.170 -3.080 -2.798 -2.797 -2.771 -2.629 A A A A A A A A A A A A A A A A A A A A 0.00000000050858 0.00050433789772 0.00035436493125 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 74 74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 15 -0.868641 -3.580834 0.504038 0.991422 3.230106 -0.311304 -2.140711 0.262927 2.973400 2.299773 -2.472237 -0.312100 1.298797 1.721541 2.973338 -2.666857 2.543075 0.502091 -3.292332 -0.754992 -0.310096 0.842439 -1.987167 2.973744 3.534451 1.038684 0.502968 3.641255 -3.575752 -0.256819 1.770157 2.328631 4.523208 -3.631969 3.963082 0.325800 0.413562 -1.406256 0.547006 0.000821 -0.001104 -1.593033 1.011314 1.060830 0.545824 -1.423728 0.345158 0.546457 -2.925450 -0.779467 -2.008761 3.175311 -0.741458 0.094028 1.132252 -2.697676 4.524233 1.507810 -0.268095 3.184812 -2.900871 0.369089 4.523768 -0.986687 -1.174350 3.183719 0.789077 2.924597 -2.010209 -2.229969 -2.379155 0.095367 -0.945623 3.122607 0.093574 1.276696 4.943549 -0.256203 -0.522695 1.439073 3.183768 2.137426 -2.144007 -2.010969 2.139381 -2.695481 1.910465 5.246807 1.164632 0.328073 3.247675 1.373705 2.259248 -3.672968 1.238479 -0.347391 -0.433912 -3.501798 2.260133 2.908607 2.561766 -0.348127 -3.403862 -0.504448 1.909848 -4.918516 -1.365795 -0.256059 -2.813742 2.126032 2.257929 0.763501 -3.798868 -0.347202 1.264296 3.198926 1.909344 -1.614690 -5.126955 0.326379 0.000395 -0.000594 -0.106889 1 3 -3 -0.868641 -3.580834 0.504038 Rho 0.4361416E+07 3,-3 2 3 -3 0.991422 3.230106 -0.311304 Rho 0.4361414E+07 3,-3 3 3 -3 -2.140711 0.262927 2.973400 Rho 0.4361414E+07 3,-3 4 3 -3 2.299773 -2.472237 -0.312100 Rho 0.4361414E+07 3,-3 5 3 -3 1.298797 1.721541 2.973338 Rho 0.4361414E+07 3,-3 6 3 -3 -2.666857 2.543075 0.502091 Rho 0.4361416E+07 3,-3 7 3 -3 -3.292332 -0.754992 -0.310096 Rho 0.4361414E+07 3,-3 8 3 -3 0.842439 -1.987167 2.973744 Rho 0.4361414E+07 3,-3 9 3 -3 3.534451 1.038684 0.502968 Rho 0.4361416E+07 3,-3 10 3 -3 3.641255 -3.575752 -0.256819 Rho 0.3193493E+03 3,-3 11 3 -3 1.770157 2.328631 4.523208 Rho 0.3193710E+03 3,-3 12 3 -3 -3.631969 3.963082 0.325800 Rho 0.3193938E+03 3,-3 13 3 -3 0.413562 -1.406256 0.547006 Rho 0.3187985E+03 3,-3 14 3 -3 0.000821 -0.001104 -1.593033 Rho 0.3190550E+03 3,-3 15 3 -3 1.011314 1.060830 0.545824 Rho 0.3187990E+03 3,-3 16 3 -3 -1.423728 0.345158 0.546457 Rho 0.3187986E+03 3,-3 17 3 -3 -2.925450 -0.779467 -2.008761 Rho 0.3193741E+03 3,-3 18 3 -3 3.175311 -0.741458 0.094028 Rho 0.3187784E+03 3,-3 19 3 -3 1.132252 -2.697676 4.524233 Rho 0.3193711E+03 3,-3 20 3 -3 1.507810 -0.268095 3.184812 Rho 0.3188791E+03 3,-3 21 3 -3 -2.900871 0.369089 4.523768 Rho 0.3193709E+03 3,-3 22 3 -3 -0.986687 -1.174350 3.183719 Rho 0.3188799E+03 3,-3 23 3 -3 0.789077 2.924597 -2.010209 Rho 0.3193739E+03 3,-3 24 3 -3 -2.229969 -2.379155 0.095367 Rho 0.3187785E+03 3,-3 25 3 -3 -0.945623 3.122607 0.093574 Rho 0.3187785E+03 3,-3 26 3 -3 1.276696 4.943549 -0.256203 Rho 0.3193495E+03 3,-3 27 3 -3 -0.522695 1.439073 3.183768 Rho 0.3188793E+03 3,-3 28 3 -3 2.137426 -2.144007 -2.010969 Rho 0.3193741E+03 3,-3 29 3 -3 2.139381 -2.695481 1.910465 Rho 0.3190771E+03 3,-3 30 3 -3 5.246807 1.164632 0.328073 Rho 0.3193935E+03 3,-3 31 3 -3 3.247675 1.373705 2.259248 Rho 0.3190570E+03 3,-3 32 3 -3 -3.672968 1.238479 -0.347391 Rho 0.3189609E+03 3,-3 33 3 -3 -0.433912 -3.501798 2.260133 Rho 0.3190575E+03 3,-3 34 3 -3 2.908607 2.561766 -0.348127 Rho 0.3189612E+03 3,-3 35 3 -3 -3.403862 -0.504448 1.909848 Rho 0.3190757E+03 3,-3 36 3 -3 -4.918516 -1.365795 -0.256059 Rho 0.3193493E+03 3,-3 37 3 -3 -2.813742 2.126032 2.257929 Rho 0.3190573E+03 3,-3 38 3 -3 0.763501 -3.798868 -0.347202 Rho 0.3189608E+03 3,-3 39 3 -3 1.264296 3.198926 1.909344 Rho 0.3190754E+03 3,-3 40 3 -3 -1.614690 -5.126955 0.326379 Rho 0.3193933E+03 3,-3 41 3 -3 0.000395 -0.000594 -0.106889 Rho 0.2439630E+04 3,-3 42 3 +3 -1.461534 -1.467926 1.461624 Rho 0.3837433E-02 |GRAD(Rho)| 0.1135997E-12 GRAD(Rho)x 0.3242357E-13 GRAD(Rho)y -0.4829274E-13 GRAD(Rho)z -0.9757775E-13 Laplacian 0.1576211E-01 (-1/4)Del**2(Rho)) -0.3940528E-02 Diamond 0.1563736E-03 Metallicity 0.4112130E+00 Ellipticity -0.6271638E+00 Gb(Abramov) 0.2897085E-02 Vb(Abramov) -0.1853642E-02 Hb(Abramov) 0.1043443E-02 Ex_ueg -0.4437171E-03 Ec_ueg -0.9723109E-04 Delta_ex -0.6116512E-03 Delta_ec 0.2574715E-03 Delta_et -0.1389762E-02 Pxc 0.4563532E+01 Qxc -0.2375607E+01 3,+3 43 3 +1 -1.181082 -1.263026 0.226881 Rho 0.1022822E-01 |GRAD(Rho)| 0.2786598E-13 GRAD(Rho)x -0.1377177E-13 GRAD(Rho)y -0.2420708E-13 GRAD(Rho)z 0.9318616E-15 Laplacian 0.4437202E-01 (-1/4)Del**2(Rho)) -0.1109301E-01 Diamond 0.1556573E-02 Metallicity 0.7484637E+00 Ellipticity -0.1428641E+01 Gb(Abramov) 0.8779122E-02 Vb(Abramov) -0.6465239E-02 Hb(Abramov) 0.2313883E-02 Ex_ueg -0.1639778E-02 Ec_ueg -0.3784079E-03 Delta_ex -0.2137415E-02 Delta_ec 0.6576781E-03 Delta_et -0.4673471E-02 Pxc 0.4333361E+01 Qxc -0.3249941E+01 3,+1 44 3 +1 -2.500869 -0.179378 0.998852 Rho 0.2706644E-01 |GRAD(Rho)| 0.2454699E-16 GRAD(Rho)x 0.6023433E-17 GRAD(Rho)y -0.2291259E-16 GRAD(Rho)z 0.6425454E-17 Laplacian 0.1063214E+00 (-1/4)Del**2(Rho)) -0.2658034E-01 Diamond 0.1494994E-01 Metallicity 0.1581410E+01 Ellipticity -0.3307115E+01 Gb(Abramov) 0.2472596E-01 Vb(Abramov) -0.2287159E-01 Hb(Abramov) 0.1854377E-02 Ex_ueg -0.6001962E-02 Ec_ueg -0.1193309E-02 Delta_ex -0.6699766E-02 Delta_ec 0.1706030E-02 Delta_et -0.1536991E-01 Pxc 0.5029681E+01 Qxc -0.3927108E+01 3,+1 45 3 -1 -2.810229 -0.143170 2.387665 Rho 0.1966268E+00 |GRAD(Rho)| 0.4275162E-15 GRAD(Rho)x -0.4182310E-15 GRAD(Rho)y 0.1263096E-16 GRAD(Rho)z 0.8771196E-16 Laplacian 0.7448981E+00 (-1/4)Del**2(Rho)) -0.1862245E+00 Diamond 0.2084438E+01 Metallicity 0.6150645E+01 Ellipticity 0.5086444E-01 Gb(Abramov) 0.3150498E+00 Vb(Abramov) -0.4438752E+00 Hb(Abramov) -0.1288253E+00 Ex_ueg -0.8444525E-01 Ec_ueg -0.1149260E-01 Delta_ex -0.8556477E-01 Delta_ec 0.1755627E-01 Delta_et -0.2408180E+00 Pxc 0.7347796E+01 Qxc -0.4873743E+01 3,-1 46 3 -1 -2.308143 -0.200521 0.119576 Rho 0.5655323E-01 |GRAD(Rho)| 0.1506434E-13 GRAD(Rho)x -0.1244442E-13 GRAD(Rho)y -0.6485437E-14 GRAD(Rho)z -0.5478112E-14 Laplacian 0.2135203E+00 (-1/4)Del**2(Rho)) -0.5338009E-01 Diamond 0.1267676E+00 Metallicity 0.2689075E+01 Ellipticity 0.2071941E-01 Gb(Abramov) 0.5951057E-01 Vb(Abramov) -0.6564105E-01 Hb(Abramov) -0.6130484E-02 Ex_ueg -0.1603227E-01 Ec_ueg -0.2780191E-02 Delta_ex -0.1808758E-01 Delta_ec 0.6277761E-02 Delta_et -0.6830787E-01 Pxc 0.5766607E+01 Qxc -0.2881215E+01 3,-1 47 3 +1 -2.473952 0.957215 0.168658 Rho 0.2775505E-01 |GRAD(Rho)| 0.6983557E-16 GRAD(Rho)x -0.6271208E-16 GRAD(Rho)y 0.1732868E-16 GRAD(Rho)z -0.2537554E-16 Laplacian 0.1094135E+00 (-1/4)Del**2(Rho)) -0.2735336E-01 Diamond 0.1686482E-01 Metallicity 0.1602430E+01 Ellipticity -0.5309253E+01 Gb(Abramov) 0.2554088E-01 Vb(Abramov) -0.2372840E-01 Hb(Abramov) 0.1812481E-02 Ex_ueg -0.6206418E-02 Ec_ueg -0.1228402E-02 Delta_ex -0.7030273E-02 Delta_ec 0.1913803E-02 Delta_et -0.1731841E-01 Pxc 0.5052431E+01 Qxc -0.3673456E+01 3,+1 48 3 -1 -1.279923 0.880549 3.074342 Rho 0.1163200E+00 |GRAD(Rho)| 0.3681672E-12 GRAD(Rho)x -0.2995932E-12 GRAD(Rho)y -0.2114216E-12 GRAD(Rho)z -0.3304375E-13 Laplacian 0.4916552E+00 (-1/4)Del**2(Rho)) -0.1229138E+00 Diamond 0.7409685E+00 Metallicity 0.3884869E+01 Ellipticity 0.3297657E-01 Gb(Abramov) 0.1615265E+00 Vb(Abramov) -0.2001393E+00 Hb(Abramov) -0.3861273E-01 Ex_ueg -0.4193637E-01 Ec_ueg -0.6323848E-02 Delta_ex -0.4975001E-01 Delta_ec 0.1343287E-01 Delta_et -0.1719810E+00 Pxc 0.6631463E+01 Qxc -0.3703604E+01 3,-1 49 3 +1 -0.662663 -0.720039 1.629563 Rho 0.7493925E-02 |GRAD(Rho)| 0.5718783E-11 GRAD(Rho)x -0.2628262E-11 GRAD(Rho)y 0.3091680E-11 GRAD(Rho)z -0.4029669E-11 Laplacian 0.3080984E-01 (-1/4)Del**2(Rho)) -0.7702460E-02 Diamond 0.7040945E-03 Metallicity 0.6418584E+00 Ellipticity -0.1370163E+01 Gb(Abramov) 0.5958955E-02 Vb(Abramov) -0.4215450E-02 Hb(Abramov) 0.1743505E-02 Ex_ueg -0.1083089E-02 Ec_ueg -0.2557664E-03 Delta_ex -0.1370710E-02 Delta_ec 0.4533712E-03 Delta_et -0.2973795E-02 Pxc 0.4234681E+01 Qxc -0.3023373E+01 3,+1 50 3 -1 -2.553163 0.320498 3.812859 Rho 0.2491501E+00 |GRAD(Rho)| 0.2902824E-15 GRAD(Rho)x 0.9557242E-16 GRAD(Rho)y 0.2547875E-17 GRAD(Rho)z 0.2740863E-15 Laplacian 0.8952581E+00 (-1/4)Del**2(Rho)) -0.2238145E+00 Diamond 0.3307479E+01 Metallicity 0.7593352E+01 Ellipticity 0.9746278E-02 Gb(Abramov) 0.4324601E+00 Vb(Abramov) -0.6411056E+00 Hb(Abramov) -0.2086455E+00 Ex_ueg -0.1157888E+00 Ec_ueg -0.1507393E-01 Delta_ex -0.1092062E+00 Delta_ec 0.1951457E-01 Delta_et -0.2704078E+00 Pxc 0.7681396E+01 Qxc -0.5596137E+01 3,-1 51 3 -1 -1.510255 -0.497360 3.077538 Rho 0.1729375E+00 |GRAD(Rho)| 0.1031488E-11 GRAD(Rho)x -0.3589734E-12 GRAD(Rho)y 0.6377590E-12 GRAD(Rho)z -0.7268902E-12 Laplacian 0.7192912E+00 (-1/4)Del**2(Rho)) -0.1798228E+00 Diamond 0.1726741E+01 Metallicity 0.5142688E+01 Ellipticity 0.2351976E-01 Gb(Abramov) 0.2740106E+00 Vb(Abramov) -0.3681985E+00 Hb(Abramov) -0.9418783E-01 Ex_ueg -0.7116020E-01 Ec_ueg -0.9927670E-02 Delta_ex -0.7999997E-01 Delta_ec 0.1756492E-01 Delta_et -0.2379596E+00 Pxc 0.7167865E+01 Qxc -0.4554532E+01 3,-1 52 3 -1 -1.590388 -2.930497 0.284428 Rho 0.1681818E+00 |GRAD(Rho)| 0.1157779E-15 GRAD(Rho)x 0.1120252E-15 GRAD(Rho)y -0.2314772E-16 GRAD(Rho)z -0.1786223E-16 Laplacian 0.7214066E+00 (-1/4)Del**2(Rho)) -0.1803517E+00 Diamond 0.1657783E+01 Metallicity 0.4894760E+01 Ellipticity 0.2741564E-01 Gb(Abramov) 0.2673641E+00 Vb(Abramov) -0.3543766E+00 Hb(Abramov) -0.8701246E-01 Ex_ueg -0.6856309E-01 Ec_ueg -0.9617397E-02 Delta_ex -0.7953234E-01 Delta_ec 0.1748456E-01 Delta_et -0.2354052E+00 Pxc 0.7129070E+01 Qxc -0.4548717E+01 3,-1 53 3 +1 -1.624526 -1.583423 1.571365 Rho 0.3865534E-02 |GRAD(Rho)| 0.3045076E-15 GRAD(Rho)x -0.2139906E-15 GRAD(Rho)y 0.2115422E-15 GRAD(Rho)z 0.4672001E-16 Laplacian 0.1580637E-01 (-1/4)Del**2(Rho)) -0.3951593E-02 Diamond 0.2129811E-03 Metallicity 0.4150784E+00 Ellipticity -0.1370780E+01 Gb(Abramov) 0.2907766E-02 Vb(Abramov) -0.1863938E-02 Hb(Abramov) 0.1043828E-02 Ex_ueg -0.4480547E-03 Ec_ueg -0.9842361E-04 Delta_ex -0.6858566E-03 Delta_ec 0.3858104E-03 Delta_et -0.1985221E-02 Pxc 0.4552309E+01 Qxc -0.1777704E+01 3,+1 54 3 +1 -0.560304 2.194810 1.568978 Rho 0.3843569E-02 |GRAD(Rho)| 0.3299794E-17 GRAD(Rho)x -0.1545200E-17 GRAD(Rho)y -0.2253531E-17 GRAD(Rho)z 0.1850026E-17 Laplacian 0.1572326E-01 (-1/4)Del**2(Rho)) -0.3930815E-02 Diamond 0.2092988E-03 Metallicity 0.4133281E+00 Ellipticity -0.1352849E+01 Gb(Abramov) 0.2891330E-02 Vb(Abramov) -0.1851844E-02 Hb(Abramov) 0.1039486E-02 Ex_ueg -0.4446633E-03 Ec_ueg -0.9749141E-04 Delta_ex -0.6802174E-03 Delta_ec 0.3815550E-03 Delta_et -0.1961225E-02 Pxc 0.4561050E+01 Qxc -0.1782751E+01 3,+1 55 3 -1 -0.123545 -1.550678 3.074507 Rho 0.1159800E+00 |GRAD(Rho)| 0.3674226E-13 GRAD(Rho)x -0.3830337E-14 GRAD(Rho)y -0.3352862E-13 GRAD(Rho)z -0.1453113E-13 Laplacian 0.4900046E+00 (-1/4)Del**2(Rho)) -0.1225012E+00 Diamond 0.7357563E+00 Metallicity 0.3878986E+01 Ellipticity 0.3329263E-01 Gb(Abramov) 0.1608641E+00 Vb(Abramov) -0.1992271E+00 Hb(Abramov) -0.3836299E-01 Ex_ueg -0.4177302E-01 Ec_ueg -0.6302841E-02 Delta_ex -0.4954684E-01 Delta_ec 0.1339355E-01 Delta_et -0.1713818E+00 Pxc 0.6627649E+01 Qxc -0.3699305E+01 3,-1 56 3 +3 0.000007 -0.000988 1.928425 Rho 0.4154998E-02 |GRAD(Rho)| 0.4451125E-17 GRAD(Rho)x 0.2208877E-17 GRAD(Rho)y 0.2458394E-17 GRAD(Rho)z -0.2981556E-17 Laplacian 0.1689303E-01 (-1/4)Del**2(Rho)) -0.4223257E-02 Diamond 0.1009533E-03 Metallicity 0.4380500E+00 Ellipticity -0.3469367E-02 Gb(Abramov) 0.3123838E-02 Vb(Abramov) -0.2024418E-02 Hb(Abramov) 0.1099419E-02 Ex_ueg -0.4933398E-03 Ec_ueg -0.1107322E-03 Delta_ex -0.5657145E-03 Delta_ec 0.9428953E-04 Delta_et -0.6641473E-03 Pxc 0.4455254E+01 Qxc -0.5999759E+01 3,+3 57 3 +1 -0.000815 -0.001426 3.137393 Rho 0.1177088E-01 |GRAD(Rho)| 0.4264150E-17 GRAD(Rho)x 0.2945930E-17 GRAD(Rho)y 0.1273295E-17 GRAD(Rho)z 0.2807702E-17 Laplacian 0.5753026E-01 (-1/4)Del**2(Rho)) -0.1438257E-01 Diamond 0.2218909E-02 Metallicity 0.7295663E+00 Ellipticity -0.1246810E+01 Gb(Abramov) 0.1133722E-01 Vb(Abramov) -0.8291867E-02 Hb(Abramov) 0.3045349E-02 Ex_ueg -0.1977562E-02 Ec_ueg -0.4490022E-03 Delta_ex -0.2805765E-02 Delta_ec 0.7328735E-03 Delta_et -0.5480221E-02 Pxc 0.4404348E+01 Qxc -0.3828444E+01 3,+1 58 3 -1 -1.493575 -0.393091 -1.585731 Rho 0.8138895E-02 |GRAD(Rho)| 0.4850959E-17 GRAD(Rho)x 0.4472334E-17 GRAD(Rho)y 0.6293455E-18 GRAD(Rho)z -0.1770299E-17 Laplacian 0.3105053E-01 (-1/4)Del**2(Rho)) -0.7762634E-02 Diamond 0.1626042E-02 Metallicity 0.7308358E+00 Ellipticity 0.1005097E+01 Gb(Abramov) 0.6120624E-02 Vb(Abramov) -0.4478615E-02 Hb(Abramov) 0.1642009E-02 Ex_ueg -0.1209128E-02 Ec_ueg -0.2843965E-03 Delta_ex -0.1813619E-02 Delta_ec 0.1177363E-02 Delta_et -0.7322413E-02 Pxc 0.4251558E+01 Qxc -0.1540408E+01 3,-1 59 3 +1 0.954173 -0.213684 1.629974 Rho 0.7489446E-02 |GRAD(Rho)| 0.9092003E-14 GRAD(Rho)x 0.3184735E-14 GRAD(Rho)y 0.7579081E-14 GRAD(Rho)z 0.3883233E-14 Laplacian 0.3078508E-01 (-1/4)Del**2(Rho)) -0.7696271E-02 Diamond 0.7031531E-03 Metallicity 0.6417349E+00 Ellipticity -0.1370428E+01 Gb(Abramov) 0.5954008E-02 Vb(Abramov) -0.4211746E-02 Hb(Abramov) 0.1742263E-02 Ex_ueg -0.1082226E-02 Ec_ueg -0.2555683E-03 Delta_ex -0.1369512E-02 Delta_ec 0.4531964E-03 Delta_et -0.2972030E-02 Pxc 0.4234588E+01 Qxc -0.3021896E+01 3,+1 60 3 +1 0.455169 1.520992 -1.235411 Rho 0.7862751E-02 |GRAD(Rho)| 0.5487855E-17 GRAD(Rho)x -0.3201785E-17 GRAD(Rho)y -0.3584643E-17 GRAD(Rho)z 0.2648672E-17 Laplacian 0.2943506E-01 (-1/4)Del**2(Rho)) -0.7358765E-02 Diamond 0.9743218E-03 Metallicity 0.7278453E+00 Ellipticity -0.2317421E+01 Gb(Abramov) 0.5798517E-02 Vb(Abramov) -0.4238269E-02 Hb(Abramov) 0.1560248E-02 Ex_ueg -0.1154741E-02 Ec_ueg -0.2721153E-03 Delta_ex -0.1455381E-02 Delta_ec 0.6654350E-03 Delta_et -0.4234889E-02 Pxc 0.4243572E+01 Qxc -0.2187112E+01 3,+1 61 3 +1 -0.502899 1.655508 0.226328 Rho 0.1019680E-01 |GRAD(Rho)| 0.1131004E-16 GRAD(Rho)x 0.7824890E-17 GRAD(Rho)y 0.3211949E-17 GRAD(Rho)z 0.7508100E-17 Laplacian 0.4423234E-01 (-1/4)Del**2(Rho)) -0.1105809E-01 Diamond 0.1545545E-02 Metallicity 0.7469873E+00 Ellipticity -0.1427769E+01 Gb(Abramov) 0.8748765E-02 Vb(Abramov) -0.6439445E-02 Hb(Abramov) 0.2309320E-02 Ex_ueg -0.1633066E-02 Ec_ueg -0.3769804E-03 Delta_ex -0.2129151E-02 Delta_ec 0.6558478E-03 Delta_et -0.4656598E-02 Pxc 0.4331965E+01 Qxc -0.3246411E+01 3,+1 62 3 -1 1.139597 1.373470 1.721870 Rho 0.3512775E-01 |GRAD(Rho)| 0.1089155E-15 GRAD(Rho)x 0.1871011E-16 GRAD(Rho)y 0.3758852E-16 GRAD(Rho)z 0.1004969E-15 Laplacian 0.1320594E+00 (-1/4)Del**2(Rho)) -0.3301484E-01 Diamond 0.3906345E-01 Metallicity 0.1966049E+01 Ellipticity 0.1711941E+00 Gb(Abramov) 0.3282803E-01 Vb(Abramov) -0.3264122E-01 Hb(Abramov) 0.1868134E-03 Ex_ueg -0.8496735E-02 Ec_ueg -0.1611011E-02 Delta_ex -0.9794090E-02 Delta_ec 0.3653225E-02 Delta_et -0.3503784E-01 Pxc 0.5274165E+01 Qxc -0.2680944E+01 3,-1 63 3 -1 1.402983 0.667103 3.074837 Rho 0.1162195E+00 |GRAD(Rho)| 0.1803236E-13 GRAD(Rho)x -0.1661377E-14 GRAD(Rho)y 0.1795076E-13 GRAD(Rho)z -0.4195456E-15 Laplacian 0.4911211E+00 (-1/4)Del**2(Rho)) -0.1227803E+00 Diamond 0.7393330E+00 Metallicity 0.3883496E+01 Ellipticity 0.3325940E-01 Gb(Abramov) 0.1613230E+00 Vb(Abramov) -0.1998657E+00 Hb(Abramov) -0.3854270E-01 Ex_ueg -0.4188807E-01 Ec_ueg -0.6317639E-02 Delta_ex -0.4968494E-01 Delta_ec 0.1341940E-01 Delta_et -0.1717794E+00 Pxc 0.6630337E+01 Qxc -0.3702470E+01 3,-1 64 3 -1 0.980273 2.100113 0.118647 Rho 0.5641267E-01 |GRAD(Rho)| 0.1195680E-15 GRAD(Rho)x 0.5990561E-17 GRAD(Rho)y 0.1194139E-15 GRAD(Rho)z 0.9706998E-18 Laplacian 0.2128369E+00 (-1/4)Del**2(Rho)) -0.5320921E-01 Diamond 0.1259179E+00 Metallicity 0.2686545E+01 Ellipticity 0.2082326E-01 Gb(Abramov) 0.5929763E-01 Vb(Abramov) -0.6538605E-01 Hb(Abramov) -0.6088421E-02 Ex_ueg -0.1597916E-01 Ec_ueg -0.2772293E-02 Delta_ex -0.1801764E-01 Delta_ec 0.6256669E-02 Delta_et -0.6803476E-01 Pxc 0.5763878E+01 Qxc -0.2879749E+01 3,-1 65 3 -1 0.408034 1.490393 -1.585478 Rho 0.8109473E-02 |GRAD(Rho)| 0.1344013E-16 GRAD(Rho)x 0.3679511E-17 GRAD(Rho)y 0.8714275E-17 GRAD(Rho)z 0.9547755E-17 Laplacian 0.3091355E-01 (-1/4)Del**2(Rho)) -0.7728388E-02 Diamond 0.1610067E-02 Metallicity 0.7296568E+00 Ellipticity 0.1015752E+01 Gb(Abramov) 0.6092104E-02 Vb(Abramov) -0.4455820E-02 Hb(Abramov) 0.1636284E-02 Ex_ueg -0.1203304E-02 Ec_ueg -0.2830863E-03 Delta_ex -0.1803898E-02 Delta_ec 0.1171364E-02 Delta_et -0.7277361E-02 Pxc 0.4250660E+01 Qxc -0.1539997E+01 3,-1 66 3 -1 2.230138 1.034354 0.505815 Rho 0.3595584E-01 |GRAD(Rho)| 0.6698208E-16 GRAD(Rho)x -0.5514926E-16 GRAD(Rho)y 0.3607410E-16 GRAD(Rho)z 0.1199241E-16 Laplacian 0.1350671E+00 (-1/4)Del**2(Rho)) -0.3376677E-01 Diamond 0.4151047E-01 Metallicity 0.1998386E+01 Ellipticity 0.9496434E-01 Gb(Abramov) 0.3375769E-01 Vb(Abramov) -0.3374861E-01 Hb(Abramov) 0.9080486E-05 Ex_ueg -0.8764848E-02 Ec_ueg -0.1654714E-02 Delta_ex -0.1009360E-01 Delta_ec 0.3768102E-02 Delta_et -0.3636820E-01 Pxc 0.5296896E+01 Qxc -0.2678697E+01 3,-1 67 3 +1 1.094691 2.257154 0.995398 Rho 0.2708662E-01 |GRAD(Rho)| 0.2785622E-16 GRAD(Rho)x 0.6563301E-17 GRAD(Rho)y -0.2643014E-16 GRAD(Rho)z -0.5860037E-17 Laplacian 0.1062817E+00 (-1/4)Del**2(Rho)) -0.2657042E-01 Diamond 0.1491116E-01 Metallicity 0.1583967E+01 Ellipticity -0.3272731E+01 Gb(Abramov) 0.2472806E-01 Vb(Abramov) -0.2288570E-01 Hb(Abramov) 0.1842362E-02 Ex_ueg -0.6007930E-02 Ec_ueg -0.1194336E-02 Delta_ex -0.6693877E-02 Delta_ec 0.1696929E-02 Delta_et -0.1529216E-01 Pxc 0.5030353E+01 Qxc -0.3944700E+01 3,+1 68 3 +1 -0.291153 0.932961 1.629382 Rho 0.7499365E-02 |GRAD(Rho)| 0.1356663E-15 GRAD(Rho)x -0.1177173E-15 GRAD(Rho)y -0.6461845E-16 GRAD(Rho)z 0.1929880E-16 Laplacian 0.3082844E-01 (-1/4)Del**2(Rho)) -0.7707110E-02 Diamond 0.7051432E-03 Metallicity 0.6422476E+00 Ellipticity -0.1370448E+01 Gb(Abramov) 0.5963052E-02 Vb(Abramov) -0.4218994E-02 Hb(Abramov) 0.1744058E-02 Ex_ueg -0.1084138E-02 Ec_ueg -0.2560071E-03 Delta_ex -0.1371746E-02 Delta_ec 0.4535757E-03 Delta_et -0.2975758E-02 Pxc 0.4234795E+01 Qxc -0.3024293E+01 3,+1 69 3 +3 -0.541670 2.005290 1.463954 Rho 0.3819235E-02 |GRAD(Rho)| 0.6669196E-17 GRAD(Rho)x -0.1918530E-18 GRAD(Rho)y 0.3420319E-17 GRAD(Rho)z -0.5722131E-17 Laplacian 0.1568653E-01 (-1/4)Del**2(Rho)) -0.3921632E-02 Diamond 0.1560737E-03 Metallicity 0.4099338E+00 Ellipticity -0.6423113E+00 Gb(Abramov) 0.2882356E-02 Vb(Abramov) -0.1843080E-02 Hb(Abramov) 0.1039276E-02 Ex_ueg -0.4409137E-03 Ec_ueg -0.9645903E-04 Delta_ex -0.6099857E-03 Delta_ec 0.2596650E-03 Delta_et -0.1397028E-02 Pxc 0.4570995E+01 Qxc -0.2349126E+01 3,+3 70 3 -1 1.554525 2.050967 3.812523 Rho 0.2491335E+00 |GRAD(Rho)| 0.1177647E-13 GRAD(Rho)x -0.3181130E-14 GRAD(Rho)y -0.3961024E-14 GRAD(Rho)z -0.1062431E-13 Laplacian 0.8952228E+00 (-1/4)Del**2(Rho)) -0.2238057E+00 Diamond 0.3306944E+01 Metallicity 0.7592807E+01 Ellipticity 0.9694577E-02 Gb(Abramov) 0.4324227E+00 Vb(Abramov) -0.6410397E+00 Hb(Abramov) -0.2086170E+00 Ex_ueg -0.1157785E+00 Ec_ueg -0.1507277E-01 Delta_ex -0.1091993E+00 Delta_ec 0.1951293E-01 Delta_et -0.2703788E+00 Pxc 0.7681302E+01 Qxc -0.5596253E+01 3,-1 71 3 -1 1.281049 2.504279 2.387357 Rho 0.1965647E+00 |GRAD(Rho)| 0.1011518E-14 GRAD(Rho)x 0.5290652E-16 GRAD(Rho)y -0.9358833E-15 GRAD(Rho)z 0.3801213E-15 Laplacian 0.7448033E+00 (-1/4)Del**2(Rho)) -0.1862008E+00 Diamond 0.2083063E+01 Metallicity 0.6148191E+01 Ellipticity 0.5096696E-01 Gb(Abramov) 0.3149336E+00 Vb(Abramov) -0.4436663E+00 Hb(Abramov) -0.1287328E+00 Ex_ueg -0.8440969E-01 Ec_ueg -0.1148845E-01 Delta_ex -0.8554478E-01 Delta_ec 0.1755159E-01 Delta_et -0.2407339E+00 Pxc 0.7347351E+01 Qxc -0.4873904E+01 3,-1 72 3 +1 2.062942 1.667903 0.166506 Rho 0.2780270E-01 |GRAD(Rho)| 0.1385736E-15 GRAD(Rho)x 0.1378611E-15 GRAD(Rho)y 0.2916829E-17 GRAD(Rho)z 0.1372842E-16 Laplacian 0.1098167E+00 (-1/4)Del**2(Rho)) -0.2745419E-01 Diamond 0.1703456E-01 Metallicity 0.1601117E+01 Ellipticity -0.5469568E+01 Gb(Abramov) 0.2562902E-01 Vb(Abramov) -0.2380385E-01 Hb(Abramov) 0.1825169E-02 Ex_ueg -0.6220631E-02 Ec_ueg -0.1230835E-02 Delta_ex -0.7065794E-02 Delta_ec 0.1932225E-02 Delta_et -0.1749072E-01 Pxc 0.5053991E+01 Qxc -0.3656817E+01 3,+1 73 3 +3 2.007010 -0.533506 1.465037 Rho 0.3822568E-02 |GRAD(Rho)| 0.5799170E-11 GRAD(Rho)x -0.1567686E-11 GRAD(Rho)y 0.8160270E-12 GRAD(Rho)z 0.5523299E-11 Laplacian 0.1570782E-01 (-1/4)Del**2(Rho)) -0.3926955E-02 Diamond 0.1567148E-03 Metallicity 0.4099738E+00 Ellipticity -0.6446357E+00 Gb(Abramov) 0.2886294E-02 Vb(Abramov) -0.1845634E-02 Hb(Abramov) 0.1040660E-02 Ex_ueg -0.4414269E-03 Ec_ueg -0.9660042E-04 Delta_ex -0.6112594E-03 Delta_ec 0.2605994E-03 Delta_et -0.1401938E-02 Pxc 0.4569616E+01 Qxc -0.2345590E+01 3,+3 74 3 +1 2.179645 -0.612364 1.569401 Rho 0.3846578E-02 |GRAD(Rho)| 0.9890496E-18 GRAD(Rho)x -0.5429481E-18 GRAD(Rho)y -0.4176931E-18 GRAD(Rho)z 0.7134135E-18 Laplacian 0.1574219E-01 (-1/4)Del**2(Rho)) -0.3935548E-02 Diamond 0.2098551E-03 Metallicity 0.4133699E+00 Ellipticity -0.1352113E+01 Gb(Abramov) 0.2894838E-02 Vb(Abramov) -0.1854128E-02 Hb(Abramov) 0.1040710E-02 Ex_ueg -0.4451275E-03 Ec_ueg -0.9761910E-04 Delta_ex -0.6812547E-03 Delta_ec 0.3822113E-03 Delta_et -0.1964945E-02 Pxc 0.4559840E+01 Qxc -0.1782403E+01 3,+1 75 3 +1 1.684326 -0.391750 0.225784 Rho 0.1023890E-01 |GRAD(Rho)| 0.3290354E-15 GRAD(Rho)x 0.2418550E-15 GRAD(Rho)y -0.5496058E-16 GRAD(Rho)z 0.2162170E-15 Laplacian 0.4442526E-01 (-1/4)Del**2(Rho)) -0.1110632E-01 Diamond 0.1559922E-02 Metallicity 0.7488681E+00 Ellipticity -0.1428310E+01 Gb(Abramov) 0.8790405E-02 Vb(Abramov) -0.6474494E-02 Hb(Abramov) 0.2315911E-02 Ex_ueg -0.1642062E-02 Ec_ueg -0.3788933E-03 Delta_ex -0.2140284E-02 Delta_ec 0.6579946E-03 Delta_et -0.4677320E-02 Pxc 0.4333837E+01 Qxc -0.3252738E+01 3,+1 76 3 +1 1.407764 -2.076977 0.997388 Rho 0.2705388E-01 |GRAD(Rho)| 0.1945399E-15 GRAD(Rho)x 0.1035900E-15 GRAD(Rho)y -0.4911784E-16 GRAD(Rho)z -0.1571698E-15 Laplacian 0.1061838E+00 (-1/4)Del**2(Rho)) -0.2654596E-01 Diamond 0.1488055E-01 Metallicity 0.1582234E+01 Ellipticity -0.3272855E+01 Gb(Abramov) 0.2469762E-01 Vb(Abramov) -0.2284929E-01 Hb(Abramov) 0.1848334E-02 Ex_ueg -0.5998248E-02 Ec_ueg -0.1192670E-02 Delta_ex -0.6686300E-02 Delta_ec 0.1696756E-02 Delta_et -0.1528598E-01 Pxc 0.5029262E+01 Qxc -0.3940637E+01 3,+1 77 3 -1 3.025262 -3.070584 -0.280374 Rho 0.2439217E+00 |GRAD(Rho)| 0.7617668E-12 GRAD(Rho)x -0.5878462E-12 GRAD(Rho)y 0.4836739E-12 GRAD(Rho)z -0.2802125E-13 Laplacian 0.8987678E+00 (-1/4)Del**2(Rho)) -0.2246919E+00 Diamond 0.3228187E+01 Metallicity 0.7301013E+01 Ellipticity 0.2799710E-01 Gb(Abramov) 0.4232078E+00 Vb(Abramov) -0.6217236E+00 Hb(Abramov) -0.1985158E+00 Ex_ueg -0.1125604E+00 Ec_ueg -0.1471063E-01 Delta_ex -0.1089821E+00 Delta_ec 0.1963692E-01 Delta_et -0.2715958E+00 Pxc 0.7651637E+01 Qxc -0.5549859E+01 3,-1 78 3 -1 2.751930 -1.551642 -0.092592 Rho 0.1231151E+00 |GRAD(Rho)| 0.2341288E-14 GRAD(Rho)x -0.5421011E-19 GRAD(Rho)y 0.1143535E-14 GRAD(Rho)z -0.2043027E-14 Laplacian 0.5268314E+00 (-1/4)Del**2(Rho)) -0.1317078E+00 Diamond 0.8631234E+00 Metallicity 0.3985296E+01 Ellipticity 0.2454106E-01 Gb(Abramov) 0.1752877E+00 Vb(Abramov) -0.2188675E+00 Hb(Abramov) -0.4357984E-01 Ex_ueg -0.4523421E-01 Ec_ueg -0.6745427E-02 Delta_ex -0.5420274E-01 Delta_ec 0.1450741E-01 Delta_et -0.1881256E+00 Pxc 0.6705907E+01 Qxc -0.3736210E+01 3,-1 79 3 -1 4.462122 1.106990 0.408062 Rho 0.2514160E+00 |GRAD(Rho)| 0.8835021E-12 GRAD(Rho)x -0.8767419E-12 GRAD(Rho)y -0.5440612E-13 GRAD(Rho)z 0.9454940E-13 Laplacian 0.9116434E+00 (-1/4)Del**2(Rho)) -0.2279109E+00 Diamond 0.3393573E+01 Metallicity 0.7570241E+01 Ellipticity 0.5418885E-02 Gb(Abramov) 0.4394973E+00 Vb(Abramov) -0.6510837E+00 Hb(Abramov) -0.2115864E+00 Ex_ueg -0.1171950E+00 Ec_ueg -0.1523184E-01 Delta_ex -0.1114127E+00 Delta_ec 0.1971585E-01 Delta_et -0.2727737E+00 Pxc 0.7694080E+01 Qxc -0.5650924E+01 3,-1 80 3 +1 -1.544014 -0.367214 -1.233028 Rho 0.7885698E-02 |GRAD(Rho)| 0.1269835E-15 GRAD(Rho)x 0.1086032E-15 GRAD(Rho)y 0.4302927E-16 GRAD(Rho)z 0.4978606E-16 Laplacian 0.2953688E-01 (-1/4)Del**2(Rho)) -0.7384220E-02 Diamond 0.9793625E-03 Metallicity 0.7288678E+00 Ellipticity -0.2306690E+01 Gb(Abramov) 0.5819833E-02 Vb(Abramov) -0.4255447E-02 Hb(Abramov) 0.1564387E-02 Ex_ueg -0.1159236E-02 Ec_ueg -0.2731345E-03 Delta_ex -0.1460272E-02 Delta_ec 0.6657565E-03 Delta_et -0.4241476E-02 Pxc 0.4244196E+01 Qxc -0.2193402E+01 3,+1 81 3 -1 -3.193438 1.833093 0.050957 Rho 0.1783599E+00 |GRAD(Rho)| 0.1179153E-12 GRAD(Rho)x 0.5545168E-13 GRAD(Rho)y 0.8834654E-13 GRAD(Rho)z 0.5499109E-13 Laplacian 0.6925614E+00 (-1/4)Del**2(Rho)) -0.1731403E+00 Diamond 0.1734688E+01 Metallicity 0.5623203E+01 Ellipticity 0.5503408E-01 Gb(Abramov) 0.2776941E+00 Vb(Abramov) -0.3822479E+00 Hb(Abramov) -0.1045538E+00 Ex_ueg -0.7415063E-01 Ec_ueg -0.1028305E-01 Delta_ex -0.7769992E-01 Delta_ec 0.1690774E-01 Delta_et -0.2302197E+00 Pxc 0.7210955E+01 Qxc -0.4595524E+01 3,-1 82 3 -1 -2.740978 2.308145 1.443638 Rho 0.1998480E+00 |GRAD(Rho)| 0.1737101E-15 GRAD(Rho)x -0.1148509E-15 GRAD(Rho)y -0.1293860E-15 GRAD(Rho)z 0.1561251E-16 Laplacian 0.7506591E+00 (-1/4)Del**2(Rho)) -0.1876648E+00 Diamond 0.2162217E+01 Metallicity 0.6270997E+01 Ellipticity 0.5535218E-01 Gb(Abramov) 0.3212507E+00 Vb(Abramov) -0.4548367E+00 Hb(Abramov) -0.1335860E+00 Ex_ueg -0.8629481E-01 Ec_ueg -0.1170784E-01 Delta_ex -0.8672196E-01 Delta_ec 0.1785934E-01 Delta_et -0.2461559E+00 Pxc 0.7370685E+01 Qxc -0.4855832E+01 3,-1 83 3 -1 -2.010810 1.414701 0.505570 Rho 0.3580017E-01 |GRAD(Rho)| 0.1486303E-14 GRAD(Rho)x 0.9959867E-15 GRAD(Rho)y -0.1099870E-14 GRAD(Rho)z 0.8598623E-16 Laplacian 0.1344134E+00 (-1/4)Del**2(Rho)) -0.3360334E-01 Diamond 0.4104639E-01 Metallicity 0.1993636E+01 Ellipticity 0.9614349E-01 Gb(Abramov) 0.3356770E-01 Vb(Abramov) -0.3353206E-01 Hb(Abramov) 0.3564092E-04 Ex_ueg -0.8714288E-02 Ec_ueg -0.1646488E-02 Delta_ex -0.1003255E-01 Delta_ec 0.3747572E-02 Delta_et -0.3612777E-01 Pxc 0.5292652E+01 Qxc -0.2677081E+01 3,-1 84 3 +1 -2.086992 1.108156 1.486635 Rho 0.1978546E-01 |GRAD(Rho)| 0.7963802E-14 GRAD(Rho)x -0.3504308E-14 GRAD(Rho)y -0.6145754E-14 GRAD(Rho)z 0.3656731E-14 Laplacian 0.6900013E-01 (-1/4)Del**2(Rho)) -0.1725003E-01 Diamond 0.5534111E-02 Metallicity 0.1445463E+01 Ellipticity -0.2282563E+01 Gb(Abramov) 0.1565573E-01 Vb(Abramov) -0.1406144E-01 Hb(Abramov) 0.1594298E-02 Ex_ueg -0.3952270E-02 Ec_ueg -0.8299357E-03 Delta_ex -0.3883963E-02 Delta_ec 0.9039018E-03 Delta_et -0.7628666E-02 Pxc 0.4762140E+01 Qxc -0.4296886E+01 3,+1 85 3 -1 -3.189776 3.312332 0.406434 Rho 0.2513628E+00 |GRAD(Rho)| 0.2978486E-14 GRAD(Rho)x 0.1586784E-14 GRAD(Rho)y -0.2503314E-14 GRAD(Rho)z 0.2948081E-15 Laplacian 0.9111842E+00 (-1/4)Del**2(Rho)) -0.2277961E+00 Diamond 0.3391099E+01 Metallicity 0.7571384E+01 Ellipticity 0.5488586E-02 Gb(Abramov) 0.4393193E+00 Vb(Abramov) -0.6508425E+00 Hb(Abramov) -0.2115232E+00 Ex_ueg -0.1171619E+00 Ec_ueg -0.1522812E-01 Delta_ex -0.1113509E+00 Delta_ec 0.1970808E-01 Delta_et -0.2726694E+00 Pxc 0.7693784E+01 Qxc -0.5650015E+01 3,-1 86 3 -1 -1.272752 -4.418494 0.407636 Rho 0.2514099E+00 |GRAD(Rho)| 0.8857646E-15 GRAD(Rho)x 0.6176700E-15 GRAD(Rho)y 0.6301383E-15 GRAD(Rho)z 0.7738493E-16 Laplacian 0.9115091E+00 (-1/4)Del**2(Rho)) -0.2278773E+00 Diamond 0.3393126E+01 Metallicity 0.7571052E+01 Ellipticity 0.5535792E-02 Gb(Abramov) 0.4394633E+00 Vb(Abramov) -0.6510493E+00 Hb(Abramov) -0.2115860E+00 Ex_ueg -0.1171912E+00 Ec_ueg -0.1523141E-01 Delta_ex -0.1113964E+00 Delta_ec 0.1971443E-01 Delta_et -0.2727604E+00 Pxc 0.7694046E+01 Qxc -0.5650498E+01 3,-1 87 3 -1 -0.032098 3.161231 -0.092460 Rho 0.1230812E+00 |GRAD(Rho)| 0.1266732E-15 GRAD(Rho)x -0.1012916E-15 GRAD(Rho)y -0.1271481E-16 GRAD(Rho)z 0.7499630E-16 Laplacian 0.5265992E+00 (-1/4)Del**2(Rho)) -0.1316498E+00 Diamond 0.8624251E+00 Metallicity 0.3985219E+01 Ellipticity 0.2445297E-01 Gb(Abramov) 0.1752088E+00 Vb(Abramov) -0.2187677E+00 Hb(Abramov) -0.4355895E-01 Ex_ueg -0.4521756E-01 Ec_ueg -0.6743311E-02 Delta_ex -0.5417489E-01 Delta_ec 0.1450121E-01 Delta_et -0.1880348E+00 Pxc 0.6705543E+01 Qxc -0.3735887E+01 3,-1 88 3 +1 0.083928 -2.363015 1.487069 Rho 0.1977162E-01 |GRAD(Rho)| 0.4291625E-17 GRAD(Rho)x 0.8600673E-18 GRAD(Rho)y 0.8122300E-18 GRAD(Rho)z -0.4125362E-17 Laplacian 0.6885843E-01 (-1/4)Del**2(Rho)) -0.1721461E-01 Diamond 0.5499440E-02 Metallicity 0.1446749E+01 Ellipticity -0.2271284E+01 Gb(Abramov) 0.1562728E-01 Vb(Abramov) -0.1403994E-01 Hb(Abramov) 0.1587332E-02 Ex_ueg -0.3948585E-02 Ec_ueg -0.8292596E-03 Delta_ex -0.3872578E-02 Delta_ec 0.8972802E-03 Delta_et -0.7573896E-02 Pxc 0.4761579E+01 Qxc -0.4315907E+01 3,+1 89 3 -1 0.999717 -2.372676 3.813265 Rho 0.2491374E+00 |GRAD(Rho)| 0.4240149E-10 GRAD(Rho)x 0.7046954E-11 GRAD(Rho)y -0.1743288E-10 GRAD(Rho)z 0.3800423E-10 Laplacian 0.8951493E+00 (-1/4)Del**2(Rho)) -0.2237873E+00 Diamond 0.3307000E+01 Metallicity 0.7593625E+01 Ellipticity 0.9772929E-02 Gb(Abramov) 0.4324177E+00 Vb(Abramov) -0.6410481E+00 Hb(Abramov) -0.2086304E+00 Ex_ueg -0.1157809E+00 Ec_ueg -0.1507304E-01 Delta_ex -0.1091921E+00 Delta_ec 0.1951365E-01 Delta_et -0.2704000E+00 Pxc 0.7681324E+01 Qxc -0.5595680E+01 3,-1 90 3 -1 1.327894 -1.898285 0.118902 Rho 0.5665694E-01 |GRAD(Rho)| 0.6070830E-16 GRAD(Rho)x -0.4869592E-16 GRAD(Rho)y 0.1411072E-16 GRAD(Rho)z 0.3339300E-16 Laplacian 0.2139084E+00 (-1/4)Del**2(Rho)) -0.5347710E-01 Diamond 0.1272929E+00 Metallicity 0.2692406E+01 Ellipticity 0.2077510E-01 Gb(Abramov) 0.5964841E-01 Vb(Abramov) -0.6581972E-01 Hb(Abramov) -0.6171310E-02 Ex_ueg -0.1607148E-01 Ec_ueg -0.2786020E-02 Delta_ex -0.1812811E-01 Delta_ec 0.6287654E-02 Delta_et -0.6844687E-01 Pxc 0.5768616E+01 Qxc -0.2883128E+01 3,-1 91 3 -1 1.087327 -1.098158 -1.586361 Rho 0.8172001E-02 |GRAD(Rho)| 0.2134506E-14 GRAD(Rho)x 0.2200134E-15 GRAD(Rho)y -0.5451233E-15 GRAD(Rho)z 0.2051963E-14 Laplacian 0.3115478E-01 (-1/4)Del**2(Rho)) -0.7788695E-02 Diamond 0.1638263E-02 Metallicity 0.7333351E+00 Ellipticity 0.1002995E+01 Gb(Abramov) 0.6144417E-02 Vb(Abramov) -0.4500139E-02 Hb(Abramov) 0.1644278E-02 Ex_ueg -0.1215690E-02 Ec_ueg -0.2858711E-03 Delta_ex -0.1820092E-02 Delta_ec 0.1179437E-02 Delta_et -0.7344917E-02 Pxc 0.4252581E+01 Qxc -0.1543187E+01 3,-1 92 3 +1 1.090401 -1.154737 -1.232344 Rho 0.7915535E-02 |GRAD(Rho)| 0.9314454E-17 GRAD(Rho)x -0.6135907E-17 GRAD(Rho)y 0.5299038E-17 GRAD(Rho)z 0.4585836E-17 Laplacian 0.2959950E-01 (-1/4)Del**2(Rho)) -0.7399875E-02 Diamond 0.9833708E-03 Metallicity 0.7319182E+00 Ellipticity -0.2304311E+01 Gb(Abramov) 0.5835934E-02 Vb(Abramov) -0.4271993E-02 Hb(Abramov) 0.1563941E-02 Ex_ueg -0.1165088E-02 Ec_ueg -0.2744601E-03 Delta_ex -0.1463064E-02 Delta_ec 0.6643853E-03 Delta_et -0.4238734E-02 Pxc 0.4245018E+01 Qxc -0.2202133E+01 3,+1 93 3 -1 0.620347 -1.674393 1.722640 Rho 0.3513912E-01 |GRAD(Rho)| 0.3079140E-16 GRAD(Rho)x -0.4791877E-17 GRAD(Rho)y 0.2332538E-16 GRAD(Rho)z -0.1952114E-16 Laplacian 0.1321547E+00 (-1/4)Del**2(Rho)) -0.3303868E-01 Diamond 0.3913175E-01 Metallicity 0.1965691E+01 Ellipticity 0.1706763E+00 Gb(Abramov) 0.3284976E-01 Vb(Abramov) -0.3266084E-01 Hb(Abramov) 0.1889207E-03 Ex_ueg -0.8500403E-02 Ec_ueg -0.1611610E-02 Delta_ex -0.9803530E-02 Delta_ec 0.3658672E-02 Delta_et -0.3509324E-01 Pxc 0.5274480E+01 Qxc -0.2679532E+01 3,-1 94 3 -1 1.184448 -1.060542 3.078235 Rho 0.1728301E+00 |GRAD(Rho)| 0.2002736E-15 GRAD(Rho)x 0.8611276E-16 GRAD(Rho)y 0.1665335E-15 GRAD(Rho)z -0.7043248E-16 Laplacian 0.7190881E+00 (-1/4)Del**2(Rho)) -0.1797720E+00 Diamond 0.1725066E+01 Metallicity 0.5138821E+01 Ellipticity 0.2340357E-01 Gb(Abramov) 0.2738174E+00 Vb(Abramov) -0.3678627E+00 Hb(Abramov) -0.9404536E-01 Ex_ueg -0.7110131E-01 Ec_ueg -0.9920653E-02 Delta_ex -0.7996577E-01 Delta_ec 0.1756426E-01 Delta_et -0.2379383E+00 Pxc 0.7167000E+01 Qxc -0.4552755E+01 3,-1 95 3 -1 2.198191 -2.576270 0.850783 Rho 0.6919173E-01 |GRAD(Rho)| 0.4264028E-15 GRAD(Rho)x -0.5641875E-16 GRAD(Rho)y -0.4915163E-16 GRAD(Rho)z 0.4197861E-15 Laplacian 0.2733776E+00 (-1/4)Del**2(Rho)) -0.6834439E-01 Diamond 0.2135751E+00 Metallicity 0.2939503E+01 Ellipticity 0.1011586E-01 Gb(Abramov) 0.7904602E-01 Vb(Abramov) -0.8974765E-01 Hb(Abramov) -0.1070163E-01 Ex_ueg -0.2097928E-01 Ec_ueg -0.3500390E-02 Delta_ex -0.2438909E-01 Delta_ec 0.8027468E-02 Delta_et -0.9186527E-01 Pxc 0.5993412E+01 Qxc -0.3038204E+01 3,-1 96 3 +1 2.002985 1.253457 1.486962 Rho 0.1981176E-01 |GRAD(Rho)| 0.4979941E-15 GRAD(Rho)x -0.7810463E-16 GRAD(Rho)y -0.3166115E-15 GRAD(Rho)z 0.3763708E-15 Laplacian 0.6902670E-01 (-1/4)Del**2(Rho)) -0.1725668E-01 Diamond 0.5531277E-02 Metallicity 0.1448109E+01 Ellipticity -0.2275317E+01 Gb(Abramov) 0.1566937E-01 Vb(Abramov) -0.1408207E-01 Hb(Abramov) 0.1587301E-02 Ex_ueg -0.3959277E-02 Ec_ueg -0.8312210E-03 Delta_ex -0.3884627E-02 Delta_ec 0.9002492E-03 Delta_et -0.7602115E-02 Pxc 0.4763206E+01 Qxc -0.4315057E+01 3,+1 97 3 -1 1.994509 2.858166 -0.314597 Rho 0.1130972E+00 |GRAD(Rho)| 0.1102040E-13 GRAD(Rho)x -0.2990961E-14 GRAD(Rho)y 0.1060210E-13 GRAD(Rho)z 0.3145176E-15 Laplacian 0.4441613E+00 (-1/4)Del**2(Rho)) -0.1110403E+00 Diamond 0.6540027E+00 Metallicity 0.4103541E+01 Ellipticity 0.2049657E-01 Gb(Abramov) 0.1499700E+00 Vb(Abramov) -0.1888996E+00 Hb(Abramov) -0.3892964E-01 Ex_ueg -0.4039437E-01 Ec_ueg -0.6125044E-02 Delta_ex -0.4474635E-01 Delta_ec 0.1239149E-01 Delta_et -0.1580976E+00 Pxc 0.6594951E+01 Qxc -0.3611056E+01 3,-1 98 3 -1 -2.480226 1.236090 2.575065 Rho 0.9312623E-01 |GRAD(Rho)| 0.4243727E-16 GRAD(Rho)x 0.1835520E-16 GRAD(Rho)y 0.1835690E-16 GRAD(Rho)z 0.3357130E-16 Laplacian 0.3742971E+00 (-1/4)Del**2(Rho)) -0.9357428E-01 Diamond 0.4295622E+00 Metallicity 0.3522492E+01 Ellipticity 0.2428379E-01 Gb(Abramov) 0.1173186E+00 Vb(Abramov) -0.1410630E+00 Hb(Abramov) -0.2374435E-01 Ex_ueg -0.3117557E-01 Ec_ueg -0.4910580E-02 Delta_ex -0.3592414E-01 Delta_ec 0.1068088E-01 Delta_et -0.1308619E+00 Pxc 0.6348654E+01 Qxc -0.3363407E+01 3,-1 99 3 -1 -0.219305 -2.448957 0.506854 Rho 0.3585773E-01 |GRAD(Rho)| 0.2762931E-16 GRAD(Rho)x 0.2695481E-16 GRAD(Rho)y -0.6026428E-17 GRAD(Rho)z 0.7065152E-18 Laplacian 0.1346674E+00 (-1/4)Del**2(Rho)) -0.3366686E-01 Diamond 0.4120935E-01 Metallicity 0.1995210E+01 Ellipticity 0.9683247E-01 Gb(Abramov) 0.3363998E-01 Vb(Abramov) -0.3361311E-01 Hb(Abramov) 0.2687724E-04 Ex_ueg -0.8732974E-02 Ec_ueg -0.1649529E-02 Delta_ex -0.1005523E-01 Delta_ec 0.3754061E-02 Delta_et -0.3620593E-01 Pxc 0.5294223E+01 Qxc -0.2678495E+01 3,-1 100 3 -1 0.164858 -0.565652 0.159594 Rho 0.1825793E+00 |GRAD(Rho)| 0.3838866E-13 GRAD(Rho)x -0.1025095E-13 GRAD(Rho)y 0.3244730E-13 GRAD(Rho)z -0.1777019E-13 Laplacian 0.5371088E+00 (-1/4)Del**2(Rho)) -0.1342772E+00 Diamond 0.1537506E+01 Metallicity 0.7538820E+01 Ellipticity 0.1500518E-01 Gb(Abramov) 0.2582334E+00 Vb(Abramov) -0.3821896E+00 Hb(Abramov) -0.1239562E+00 Ex_ueg -0.7649864E-01 Ec_ueg -0.1056075E-01 Delta_ex -0.6179416E-01 Delta_ec 0.1513805E-01 Delta_et -0.2130085E+00 Pxc 0.7243673E+01 Qxc -0.4082043E+01 3,-1 101 3 -1 0.407624 0.424643 0.159108 Rho 0.1825501E+00 |GRAD(Rho)| 0.2672208E-13 GRAD(Rho)x -0.1707624E-13 GRAD(Rho)y -0.1730495E-13 GRAD(Rho)z -0.1109099E-13 Laplacian 0.5363773E+00 (-1/4)Del**2(Rho)) -0.1340943E+00 Diamond 0.1535209E+01 Metallicity 0.7547093E+01 Ellipticity 0.1491376E-01 Gb(Abramov) 0.2580666E+00 Vb(Abramov) -0.3820389E+00 Hb(Abramov) -0.1239723E+00 Ex_ueg -0.7648236E-01 Ec_ueg -0.1055883E-01 Delta_ex -0.6170830E-01 Delta_ec 0.1511928E-01 Delta_et -0.2127427E+00 Pxc 0.7243450E+01 Qxc -0.4081431E+01 3,-1 102 3 -1 0.325273 1.554845 3.077510 Rho 0.1728876E+00 |GRAD(Rho)| 0.7431826E-12 GRAD(Rho)x 0.7230152E-12 GRAD(Rho)y 0.1622303E-12 GRAD(Rho)z -0.5701604E-13 Laplacian 0.7194794E+00 (-1/4)Del**2(Rho)) -0.1798699E+00 Diamond 0.1726784E+01 Metallicity 0.5138872E+01 Ellipticity 0.2343356E-01 Gb(Abramov) 0.2739679E+00 Vb(Abramov) -0.3680660E+00 Hb(Abramov) -0.9409806E-01 Ex_ueg -0.7113283E-01 Ec_ueg -0.9924409E-02 Delta_ex -0.8001669E-01 Delta_ec 0.1757362E-01 Delta_et -0.2380778E+00 Pxc 0.7167463E+01 Qxc -0.4553226E+01 3,-1 103 3 -1 2.310868 1.529371 2.575704 Rho 0.9351718E-01 |GRAD(Rho)| 0.2022250E-15 GRAD(Rho)x -0.1924120E-15 GRAD(Rho)y 0.5526890E-17 GRAD(Rho)z 0.6198418E-16 Laplacian 0.3759612E+00 (-1/4)Del**2(Rho)) -0.9399031E-01 Diamond 0.4338148E+00 Metallicity 0.3531472E+01 Ellipticity 0.2441835E-01 Gb(Abramov) 0.1179809E+00 Vb(Abramov) -0.1419715E+00 Hb(Abramov) -0.2399059E-01 Ex_ueg -0.3135020E-01 Ec_ueg -0.4934049E-02 Delta_ex -0.3612156E-01 Delta_ec 0.1072383E-01 Delta_et -0.1315082E+00 Pxc 0.6353849E+01 Qxc -0.3368345E+01 3,-1 104 3 -1 0.882755 3.063554 -1.229850 Rho 0.2432334E+00 |GRAD(Rho)| 0.5060174E-15 GRAD(Rho)x 0.6905013E-16 GRAD(Rho)y 0.3058805E-15 GRAD(Rho)z 0.3971433E-15 Laplacian 0.9311807E+00 (-1/4)Del**2(Rho)) -0.2327952E+00 Diamond 0.3302821E+01 Metallicity 0.7013764E+01 Ellipticity 0.2044090E-01 Gb(Abramov) 0.4273252E+00 Vb(Abramov) -0.6218552E+00 Hb(Abramov) -0.1945300E+00 Ex_ueg -0.1121371E+00 Ec_ueg -0.1466291E-01 Delta_ex -0.1126698E+00 Delta_ec 0.2007827E-01 Delta_et -0.2763948E+00 Pxc 0.7647668E+01 Qxc -0.5611530E+01 3,-1 105 3 -1 1.131991 3.192101 0.850642 Rho 0.6951392E-01 |GRAD(Rho)| 0.1047898E-12 GRAD(Rho)x -0.1233420E-13 GRAD(Rho)y 0.1143826E-13 GRAD(Rho)z -0.1034308E-12 Laplacian 0.2747386E+00 (-1/4)Del**2(Rho)) -0.6868464E-01 Diamond 0.2159124E+00 Metallicity 0.2947677E+01 Ellipticity 0.9991255E-02 Gb(Abramov) 0.7953312E-01 Vb(Abramov) -0.9038159E-01 Hb(Abramov) -0.1084847E-01 Ex_ueg -0.2110964E-01 Ec_ueg -0.3518994E-02 Delta_ex -0.2453754E-01 Delta_ec 0.8062855E-02 Delta_et -0.9237261E-01 Pxc 0.5998771E+01 Qxc -0.3043282E+01 3,-1 106 3 -1 3.368535 1.219962 1.444730 Rho 0.1997741E+00 |GRAD(Rho)| 0.9784577E-12 GRAD(Rho)x 0.9139731E-12 GRAD(Rho)y -0.1659276E-12 GRAD(Rho)z -0.3074095E-12 Laplacian 0.7503207E+00 (-1/4)Del**2(Rho)) -0.1875802E+00 Diamond 0.2160518E+01 Metallicity 0.6269963E+01 Ellipticity 0.5540151E-01 Gb(Abramov) 0.3210736E+00 Vb(Abramov) -0.4545670E+00 Hb(Abramov) -0.1334934E+00 Ex_ueg -0.8625231E-01 Ec_ueg -0.1170290E-01 Delta_ex -0.8667632E-01 Delta_ec 0.1785594E-01 Delta_et -0.2461108E+00 Pxc 0.7370164E+01 Qxc -0.4854202E+01 3,-1 107 3 -1 -4.173120 -1.084564 -0.279064 Rho 0.2439026E+00 |GRAD(Rho)| 0.4908908E-14 GRAD(Rho)x -0.3463267E-14 GRAD(Rho)y -0.3304486E-14 GRAD(Rho)z -0.1087902E-14 Laplacian 0.8987120E+00 (-1/4)Del**2(Rho)) -0.2246780E+00 Diamond 0.3227599E+01 Metallicity 0.7300510E+01 Ellipticity 0.2785653E-01 Gb(Abramov) 0.4231627E+00 Vb(Abramov) -0.6216473E+00 Hb(Abramov) -0.1984847E+00 Ex_ueg -0.1125486E+00 Ec_ueg -0.1470930E-01 Delta_ex -0.1089727E+00 Delta_ec 0.1963540E-01 Delta_et -0.2715707E+00 Pxc 0.7651527E+01 Qxc -0.5549808E+01 3,-1 108 3 -1 -3.472234 0.299227 -0.313684 Rho 0.1133285E+00 |GRAD(Rho)| 0.8754198E-16 GRAD(Rho)x 0.8248068E-16 GRAD(Rho)y -0.2931412E-16 GRAD(Rho)z 0.1103631E-17 Laplacian 0.4451766E+00 (-1/4)Del**2(Rho)) -0.1112941E+00 Diamond 0.6572260E+00 Metallicity 0.4108150E+01 Ellipticity 0.2046971E-01 Gb(Abramov) 0.1503983E+00 Vb(Abramov) -0.1895024E+00 Hb(Abramov) -0.3910413E-01 Ex_ueg -0.4050458E-01 Ec_ueg -0.6139291E-02 Delta_ex -0.4487184E-01 Delta_ec 0.1241701E-01 Delta_et -0.1584883E+00 Pxc 0.6597599E+01 Qxc -0.3613739E+01 3,-1 109 3 -1 -1.758985 0.299493 1.722250 Rho 0.3513637E-01 |GRAD(Rho)| 0.2367926E-13 GRAD(Rho)x 0.8359646E-14 GRAD(Rho)y -0.1326143E-13 GRAD(Rho)z 0.1774707E-13 Laplacian 0.1321117E+00 (-1/4)Del**2(Rho)) -0.3302792E-01 Diamond 0.3912241E-01 Metallicity 0.1966076E+01 Ellipticity 0.1700655E+00 Gb(Abramov) 0.3284117E-01 Vb(Abramov) -0.3265443E-01 Hb(Abramov) 0.1867413E-03 Ex_ueg -0.8499518E-02 Ec_ueg -0.1611465E-02 Delta_ex -0.9800667E-02 Delta_ec 0.3658414E-02 Delta_et -0.3509006E-01 Pxc 0.5274404E+01 Qxc -0.2678939E+01 3,-1 110 3 -1 0.009117 -3.681323 0.051966 Rho 0.1783473E+00 |GRAD(Rho)| 0.1832185E-11 GRAD(Rho)x -0.1505483E-11 GRAD(Rho)y -0.9656537E-12 GRAD(Rho)z 0.3974128E-12 Laplacian 0.6922684E+00 (-1/4)Del**2(Rho)) -0.1730671E+00 Diamond 0.1733851E+01 Metallicity 0.5624916E+01 Ellipticity 0.5508418E-01 Gb(Abramov) 0.2776261E+00 Vb(Abramov) -0.3821850E+00 Hb(Abramov) -0.1045590E+00 Ex_ueg -0.7414360E-01 Ec_ueg -0.1028222E-01 Delta_ex -0.7766602E-01 Delta_ec 0.1690153E-01 Delta_et -0.2301353E+00 Pxc 0.7210856E+01 Qxc -0.4595205E+01 3,-1 111 3 +1 0.406300 -2.621304 0.169709 Rho 0.2782297E-01 |GRAD(Rho)| 0.2635172E-16 GRAD(Rho)x 0.4946268E-17 GRAD(Rho)y 0.2536333E-16 GRAD(Rho)z -0.5162301E-17 Laplacian 0.1097224E+00 (-1/4)Del**2(Rho)) -0.2743061E-01 Diamond 0.1695812E-01 Metallicity 0.1604440E+01 Ellipticity -0.5299356E+01 Gb(Abramov) 0.2562220E-01 Vb(Abramov) -0.2381379E-01 Hb(Abramov) 0.1808407E-02 Ex_ueg -0.6226678E-02 Ec_ueg -0.1231870E-02 Delta_ex -0.7053672E-02 Delta_ec 0.1917301E-02 Delta_et -0.1736065E-01 Pxc 0.5054654E+01 Qxc -0.3678958E+01 3,+1 112 3 -1 1.476681 -3.155247 -0.314525 Rho 0.1132518E+00 |GRAD(Rho)| 0.2571742E-12 GRAD(Rho)x 0.1983353E-12 GRAD(Rho)y 0.1637117E-12 GRAD(Rho)z 0.3472130E-15 Laplacian 0.4448746E+00 (-1/4)Del**2(Rho)) -0.1112186E+00 Diamond 0.6562219E+00 Metallicity 0.4106300E+01 Ellipticity 0.2062367E-01 Gb(Abramov) 0.1502619E+00 Vb(Abramov) -0.1893052E+00 Hb(Abramov) -0.3904330E-01 Ex_ueg -0.4046800E-01 Ec_ueg -0.6134564E-02 Delta_ex -0.4483392E-01 Delta_ec 0.1240990E-01 Delta_et -0.1583765E+00 Pxc 0.6596721E+01 Qxc -0.3612754E+01 3,-1 113 3 -1 1.529374 -2.362917 2.388158 Rho 0.1968097E+00 |GRAD(Rho)| 0.1556041E-13 GRAD(Rho)x -0.1015252E-13 GRAD(Rho)y -0.1172654E-13 GRAD(Rho)z -0.1241276E-14 Laplacian 0.7454610E+00 (-1/4)Del**2(Rho)) -0.1863652E+00 Diamond 0.2088002E+01 Metallicity 0.6155534E+01 Ellipticity 0.5102202E-01 Gb(Abramov) 0.3154398E+00 Vb(Abramov) -0.4445143E+00 Hb(Abramov) -0.1290745E+00 Ex_ueg -0.8455002E-01 Ec_ueg -0.1150480E-01 Delta_ex -0.8564733E-01 Delta_ec 0.1756085E-01 Delta_et -0.2408855E+00 Pxc 0.7349105E+01 Qxc -0.4877175E+01 3,-1 114 3 -1 2.210484 -2.294717 -1.230641 Rho 0.2432921E+00 |GRAD(Rho)| 0.6797575E-15 GRAD(Rho)x 0.2020140E-15 GRAD(Rho)y -0.1533062E-15 GRAD(Rho)z 0.6306804E-15 Laplacian 0.9311421E+00 (-1/4)Del**2(Rho)) -0.2327855E+00 Diamond 0.3303996E+01 Metallicity 0.7016876E+01 Ellipticity 0.2038573E-01 Gb(Abramov) 0.4274282E+00 Vb(Abramov) -0.6220709E+00 Hb(Abramov) -0.1946427E+00 Ex_ueg -0.1121732E+00 Ec_ueg -0.1466698E-01 Delta_ex -0.1126741E+00 Delta_ec 0.2007927E-01 Delta_et -0.2764251E+00 Pxc 0.7648007E+01 Qxc -0.5611466E+01 3,-1 115 3 -1 0.169653 -2.767922 2.576374 Rho 0.9334275E-01 |GRAD(Rho)| 0.9923733E-15 GRAD(Rho)x -0.2428071E-15 GRAD(Rho)y -0.9621312E-15 GRAD(Rho)z 0.1237176E-16 Laplacian 0.3751293E+00 (-1/4)Del**2(Rho)) -0.9378231E-01 Diamond 0.4317861E+00 Metallicity 0.3528309E+01 Ellipticity 0.2446190E-01 Gb(Abramov) 0.1176704E+00 Vb(Abramov) -0.1415584E+00 Hb(Abramov) -0.2388806E-01 Ex_ueg -0.3127226E-01 Ec_ueg -0.4923576E-02 Delta_ex -0.3602438E-01 Delta_ec 0.1070126E-01 Delta_et -0.1311771E+00 Pxc 0.6351533E+01 Qxc -0.3366367E+01 3,-1 116 3 -1 3.183371 1.849455 0.051015 Rho 0.1783886E+00 |GRAD(Rho)| 0.1522602E-11 GRAD(Rho)x -0.5353808E-12 GRAD(Rho)y 0.1244833E-11 GRAD(Rho)z -0.6943166E-12 Laplacian 0.6923677E+00 (-1/4)Del**2(Rho)) -0.1730919E+00 Diamond 0.1734500E+01 Metallicity 0.5626281E+01 Ellipticity 0.5521544E-01 Gb(Abramov) 0.2777053E+00 Vb(Abramov) -0.3823186E+00 Hb(Abramov) -0.1046133E+00 Ex_ueg -0.7416650E-01 Ec_ueg -0.1028493E-01 Delta_ex -0.7768104E-01 Delta_ec 0.1690178E-01 Delta_et -0.2301411E+00 Pxc 0.7211179E+01 Qxc -0.4596027E+01 3,-1 117 3 -1 -1.742853 2.843705 0.282546 Rho 0.1680465E+00 |GRAD(Rho)| 0.6070454E-15 GRAD(Rho)x 0.1290201E-16 GRAD(Rho)y -0.5514117E-15 GRAD(Rho)z -0.2535407E-15 Laplacian 0.7209152E+00 (-1/4)Del**2(Rho)) -0.1802288E+00 Diamond 0.1655369E+01 Metallicity 0.4891532E+01 Ellipticity 0.2735372E-01 Gb(Abramov) 0.2670850E+00 Vb(Abramov) -0.3539412E+00 Hb(Abramov) -0.8685623E-01 Ex_ueg -0.6848957E-01 Ec_ueg -0.9608590E-02 Delta_ex -0.7946485E-01 Delta_ec 0.1748112E-01 Delta_et -0.2353507E+00 Pxc 0.7127952E+01 Qxc -0.4545752E+01 3,-1 118 3 -1 -0.571298 0.139744 0.159346 Rho 0.1825570E+00 |GRAD(Rho)| 0.5095070E-13 GRAD(Rho)x 0.4552828E-13 GRAD(Rho)y -0.1160684E-13 GRAD(Rho)z -0.1970865E-13 Laplacian 0.5364432E+00 (-1/4)Del**2(Rho)) -0.1341108E+00 Diamond 0.1535451E+01 Metallicity 0.7546641E+01 Ellipticity 0.1478748E-01 Gb(Abramov) 0.2580882E+00 Vb(Abramov) -0.3820656E+00 Hb(Abramov) -0.1239774E+00 Ex_ueg -0.7648621E-01 Ec_ueg -0.1055928E-01 Delta_ex -0.6171633E-01 Delta_ec 0.1512078E-01 Delta_et -0.2127645E+00 Pxc 0.7243503E+01 Qxc -0.4081557E+01 3,-1 119 3 -1 3.332571 0.088304 0.283177 Rho 0.1680813E+00 |GRAD(Rho)| 0.5590304E-15 GRAD(Rho)x -0.2306098E-15 GRAD(Rho)y -0.3921559E-15 GRAD(Rho)z -0.3248812E-15 Laplacian 0.7209862E+00 (-1/4)Del**2(Rho)) -0.1802466E+00 Diamond 0.1655891E+01 Metallicity 0.4892739E+01 Ellipticity 0.2731679E-01 Gb(Abramov) 0.2671476E+00 Vb(Abramov) -0.3540486E+00 Hb(Abramov) -0.8690104E-01 Ex_ueg -0.6850849E-01 Ec_ueg -0.9610857E-02 Delta_ex -0.7947635E-01 Delta_ec 0.1748109E-01 Delta_et -0.2353536E+00 Pxc 0.7128240E+01 Qxc -0.4546418E+01 3,-1 120 3 -1 -3.330807 -0.614987 0.851568 Rho 0.6962719E-01 |GRAD(Rho)| 0.1186759E-15 GRAD(Rho)x 0.8180803E-16 GRAD(Rho)y 0.4579166E-16 GRAD(Rho)z -0.7276352E-16 Laplacian 0.2754081E+00 (-1/4)Del**2(Rho)) -0.6885203E-01 Diamond 0.2169033E+00 Metallicity 0.2948501E+01 Ellipticity 0.9745172E-02 Gb(Abramov) 0.7973640E-01 Vb(Abramov) -0.9062076E-01 Hb(Abramov) -0.1088437E-01 Ex_ueg -0.2115551E-01 Ec_ueg -0.3525537E-02 Delta_ex -0.2460727E-01 Delta_ec 0.8081655E-02 Delta_et -0.9262442E-01 Pxc 0.6000650E+01 Qxc -0.3044831E+01 3,-1 121 3 -1 0.000554 -0.000813 -0.715794 Rho 0.2352726E+00 |GRAD(Rho)| 0.1893092E-15 GRAD(Rho)x -0.6216306E-18 GRAD(Rho)y 0.5102788E-18 GRAD(Rho)z 0.1893075E-15 Laplacian 0.1129338E+01 (-1/4)Del**2(Rho)) -0.2823345E+00 Diamond 0.3990947E+01 Metallicity 0.5471102E+01 Ellipticity 0.9471762E-04 Gb(Abramov) 0.4456698E+00 Vb(Abramov) -0.6090051E+00 Hb(Abramov) -0.1633353E+00 Ex_ueg -0.1072705E+00 Ec_ueg -0.1411293E-01 Delta_ex -0.1362397E+00 Delta_ec 0.2598591E-01 Delta_et -0.3635235E+00 Pxc 0.7600863E+01 Qxc -0.5242829E+01 3,-1 122 3 -1 -2.720612 -1.607115 -0.090922 Rho 0.1228139E+00 |GRAD(Rho)| 0.7037093E-16 GRAD(Rho)x 0.7724940E-17 GRAD(Rho)y 0.6887394E-16 GRAD(Rho)z 0.1219727E-16 Laplacian 0.5255179E+00 (-1/4)Del**2(Rho)) -0.1313795E+00 Diamond 0.8583972E+00 Metallicity 0.3978975E+01 Ellipticity 0.2451272E-01 Gb(Abramov) 0.1747123E+00 Vb(Abramov) -0.2180450E+00 Hb(Abramov) -0.4333279E-01 Ex_ueg -0.4508667E-01 Ec_ueg -0.6726667E-02 Delta_ex -0.5403561E-01 Delta_ec 0.1447848E-01 Delta_et -0.1876674E+00 Pxc 0.6702676E+01 Qxc -0.3732132E+01 3,-1 123 3 -1 1.147024 4.157539 -0.279719 Rho 0.2439355E+00 |GRAD(Rho)| 0.9085759E-15 GRAD(Rho)x -0.7001236E-16 GRAD(Rho)y -0.9058509E-15 GRAD(Rho)z -0.6518766E-17 Laplacian 0.8986379E+00 (-1/4)Del**2(Rho)) -0.2246595E+00 Diamond 0.3227994E+01 Metallicity 0.7302754E+01 Ellipticity 0.2781736E-01 Gb(Abramov) 0.4232118E+00 Vb(Abramov) -0.6217641E+00 Hb(Abramov) -0.1985523E+00 Ex_ueg -0.1125689E+00 Ec_ueg -0.1471158E-01 Delta_ex -0.1089683E+00 Delta_ec 0.1963425E-01 Delta_et -0.2715615E+00 Pxc 0.7651716E+01 Qxc -0.5549908E+01 3,-1 124 3 -1 -3.093129 -0.766932 -1.228502 Rho 0.2432133E+00 |GRAD(Rho)| 0.4482214E-15 GRAD(Rho)x -0.2327240E-15 GRAD(Rho)y 0.1348307E-16 GRAD(Rho)z 0.3828318E-15 Laplacian 0.9312539E+00 (-1/4)Del**2(Rho)) -0.2328135E+00 Diamond 0.3302584E+01 Metallicity 0.7012246E+01 Ellipticity 0.2043798E-01 Gb(Abramov) 0.4272999E+00 Vb(Abramov) -0.6217863E+00 Hb(Abramov) -0.1944864E+00 Ex_ueg -0.1121247E+00 Ec_ueg -0.1466152E-01 Delta_ex -0.1126754E+00 Delta_ec 0.2007878E-01 Delta_et -0.2763942E+00 Pxc 0.7647551E+01 Qxc -0.5611663E+01 3,-1 125 3 -1 -0.628078 -3.528782 1.445716 Rho 0.1997674E+00 |GRAD(Rho)| 0.3518217E-15 GRAD(Rho)x 0.2150515E-15 GRAD(Rho)y 0.1072615E-15 GRAD(Rho)z 0.2569559E-15 Laplacian 0.7503062E+00 (-1/4)Del**2(Rho)) -0.1875766E+00 Diamond 0.2160275E+01 Metallicity 0.6269729E+01 Ellipticity 0.5532609E-01 Gb(Abramov) 0.3210601E+00 Vb(Abramov) -0.4545436E+00 Hb(Abramov) -0.1334835E+00 Ex_ueg -0.8624840E-01 Ec_ueg -0.1170245E-01 Delta_ex -0.8667313E-01 Delta_ec 0.1785439E-01 Delta_et -0.2460841E+00 Pxc 0.7370116E+01 Qxc -0.4854443E+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 99 52 125 110 86 77 64 104 87 123 97 105 109 50 51 48 45 98 90 78 114 95 112 70 62 63 102 103 71 85 83 117 81 82 46 124 122 108 120 107 93 89 94 55 113 115 66 119 79 106 116 100 58 65 91 121 101 118 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 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 17 23 28 36 36 36 2.524813 1.861251 1.810831 1.853655 1.725875 1.737922 2.332558 1.737975 1.981824 1.737902 2.030673 2.237569 2.531971 1.729957 1.855202 2.011355 1.820867 2.106188 2.330702 1.981692 1.737887 2.239499 2.030102 1.729981 2.532195 2.011730 1.855236 2.104529 1.820972 1.725960 2.525505 1.861556 1.853604 1.810654 2.331457 1.738005 1.982655 2.029828 2.236820 1.737951 2.531887 1.729979 1.855391 2.012576 1.820530 2.105331 2.523598 1.861483 1.725866 1.810800 1.853597 1.604422 3.056426 3.058613 3.054797 1.486144 1.604560 1.604536 2.525967 1.861411 1.811180 1.854134 1.725884 1.737939 2.333610 1.737986 1.982061 1.737917 2.031538 2.238131 2.532797 1.729966 1.855618 2.011652 1.821381 2.107090 2.331744 1.981931 1.737897 2.240060 2.030966 1.729989 2.533020 2.012030 1.855651 2.105422 1.821482 1.725968 2.526663 1.861717 1.854082 1.811004 2.332501 1.738013 1.982894 2.030692 2.237382 1.737967 2.532716 1.729988 1.855806 2.012878 1.821039 2.106226 2.524754 1.861644 1.725876 1.811148 1.854075 1.604455 3.097194 3.099713 3.095759 1.486145 1.604592 1.604567 29 22 23 22 21 21 30 21 23 21 25 27 29 21 22 25 24 27 27 23 21 26 24 22 33 29 22 25 23 21 29 22 22 24 27 21 23 27 26 22 32 21 23 25 24 25 29 22 21 23 22 21 33 33 33 20 21 22 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 W O W W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O 2.5398 -0.7603 2.3914 2.4744 2.3913 2.4739 2.5402 -0.7542 -0.7446 2.3911 2.4738 2.5409 -1.0695 -0.8298 -1.0694 -1.0695 -0.7292 -0.9989 -0.7541 -0.9596 -0.7543 -0.9597 -0.7294 -0.9987 -0.9987 -0.7602 -0.9596 -0.7292 -0.9283 -0.7447 -0.9215 -0.9692 -0.9212 -0.9692 -0.9290 2.1193 -0.7602 -0.9210 -0.9693 -0.9289 -0.7447 2.0692 1.9688 2.1298 2.0967 2.1298 2.0968 2.0692 1.9716 1.9758 2.1298 2.0969 2.0692 1.8963 1.9181 1.8963 1.8963 1.9680 1.9288 1.9715 1.9356 1.9716 1.9357 1.9680 1.9288 1.9289 1.9687 1.9356 1.9680 1.9518 1.9759 1.9546 1.9472 1.9546 1.9472 1.9518 2.5634 1.9687 1.9546 1.9472 1.9517 1.9758 6.0852 4.7554 6.1016 6.0888 6.1016 6.0889 6.0850 4.7452 4.7302 6.1017 6.0890 6.0846 5.1349 4.8683 5.1349 5.1350 4.7245 5.0404 4.7452 4.9923 4.7452 4.9924 4.7246 5.0402 5.0402 4.7554 4.9923 4.7244 4.9447 4.7303 4.9285 4.9865 4.9282 4.9865 4.9455 7.4965 4.7555 4.9281 4.9867 4.9455 4.7302 3.2785 0.0361 3.3495 3.3115 3.3496 3.3118 3.2783 0.0374 0.0386 3.3498 3.3119 3.2781 0.0383 0.0434 0.0382 0.0382 0.0367 0.0296 0.0374 0.0317 0.0374 0.0317 0.0367 0.0296 0.0296 0.0361 0.0317 0.0367 0.0318 0.0386 0.0384 0.0356 0.0383 0.0355 0.0318 0.8208 0.0361 0.0383 0.0355 0.0317 0.0386 14.0273 0.0000 14.0276 14.0285 14.0276 14.0285 14.0273 0.0000 0.0000 14.0276 14.0285 14.0273 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 W O W W W W W O O W W W O O O O O O O O O O O O O O O O O O O O O O O P O O O O O 2.473332 -0.796425 2.484367 2.497887 2.484337 2.497824 2.473603 -0.782177 -0.767473 2.484424 2.497568 2.473571 -1.043804 -0.917860 -1.043847 -1.043867 -0.783987 -0.956529 -0.782248 -0.943674 -0.782236 -0.943606 -0.784006 -0.956555 -0.956461 -0.796470 -0.943590 -0.783840 -0.927104 -0.767355 -0.886875 -0.918415 -0.886927 -0.918423 -0.927487 1.971160 -0.796543 -0.886861 -0.918521 -0.927419 -0.767489 1.951931 -0.682265 1.951928 1.942832 1.951802 1.942679 1.952203 -0.662398 -0.638049 1.951892 1.942614 1.952132 -0.787700 -0.822565 -0.787771 -0.787764 -0.675840 -0.707075 -0.662431 -0.712776 -0.662437 -0.712860 -0.675919 -0.707221 -0.707067 -0.682243 -0.712615 -0.675683 -0.770048 -0.637937 -0.726437 -0.735024 -0.726683 -0.735229 -0.770209 1.576885 -0.682396 -0.726754 -0.735216 -0.770247 -0.638037 2.049289 -0.663934 2.038246 2.025372 2.035059 2.030444 2.054216 -0.631132 -0.620705 2.036348 2.024748 2.051146 -0.832442 -0.787918 -0.820937 -0.835571 -0.680690 -0.809003 -0.630828 -0.796437 -0.631233 -0.793074 -0.680900 -0.806337 -0.811812 -0.664887 -0.796009 -0.681287 -0.814722 -0.620975 -0.747351 -0.785447 -0.745152 -0.785989 -0.814116 1.576639 -0.664506 -0.746676 -0.782455 -0.817054 -0.621929 -0.00858314 0.01574711 -11.00098657 11.00100118 -8.99964386 -0.01226496 -0.02098078 -9.08139483 0.00178432 18.08103869 -315.2458 314.3219 -38.8158 -306.2626 -11.6711 -357.6733 Mar10-2024 18:18:04 Nodes: 1 Procs: 1 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 0 Mar10-2024 18:18:05 Nodes: 1 Procs: 1 Mar10-2024 18:18:06 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar10-2024 18:18:06 Nodes: 1 Procs: 1 Mar10-2024 18:18:07 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar10-2024 18:18:09 Nodes: 1 Procs: 24 *** (NO TITLE) *** -3 -12.40048328 -12.86496725 -12.67664082 -13.04674374 -13.09202754 -13.10877263 -13.11815542 -13.13021826 -13.13442947 -13.13839247 -13.13989780 -13.14097235 -13.14142934 -13.14190597 -13.14234628 -13.14271953 -13.14309256 -13.14339977 -13.14366259 -13.14391430 -13.14398992 -13.14407253 -13.14411317 -13.14415763 -13.14419786 -13.14422729 -13.14425328 GEOMETRY CONVERGED