88 Lattice="29.23173 0.0 0.0 0.0 29.22728 0.0 0.0 0.0 15.084399999999999" Properties=species:S:1:pos:R:3:forces:R:3 energy=-588.9909514390223 dipole="-0.6501892539177927 0.6495525086916301 0.5159813448848406" magmom=0.0 pbc="F F F" C 13.96240685 18.86148631 7.54113243 -0.02324085 -0.01582761 -0.00760062 C 13.53746531 17.47551079 7.53944709 -0.00286137 -0.02838979 -0.00743017 C 12.17421143 17.05513520 7.53167767 0.01372684 -0.01423068 -0.00754444 H 9.50429979 13.21276200 7.54267063 -0.01285826 -0.02137651 0.00354427 H 19.79483855 15.95374158 7.54264103 0.02323344 0.00502757 0.00286698 H 19.80998175 13.22008517 7.54154133 0.01838743 -0.02275851 -0.00390860 H 16.01668873 19.72480017 7.54236943 0.02130346 0.01276397 0.00361532 H 13.28046672 19.72662852 7.54162212 -0.00483005 0.01093361 -0.00377649 H 9.50251087 15.94892039 7.54147312 -0.01050343 0.00478673 -0.00358271 H 16.00876837 9.41920736 7.54133403 0.02278284 -0.01959798 -0.00362489 H 13.27531539 9.43456404 7.54288049 -0.00609989 -0.02366245 0.00339819 C 15.33331886 10.28931241 7.54096834 0.03527572 0.02324585 -0.00392805 C 15.76237023 11.67665275 7.53934942 0.01882875 0.02290094 -0.00422894 C 17.12678361 12.10227999 7.53329380 0.00413036 -0.00209558 0.00961170 C 13.95672210 10.29950664 7.54303549 0.04214351 -0.01201871 0.00006258 C 13.54692640 11.69221553 7.54324862 0.02111313 0.00446138 -0.00116699 C 15.33938164 18.85595361 7.54267985 -0.01387405 0.00667834 -0.00011815 C 12.20340096 12.12892288 7.54313523 0.00216796 0.01259552 0.00057227 C 18.92988055 15.27228781 7.54260618 0.01327606 -0.03972300 -0.00013218 C 15.75333071 17.46397209 7.54309002 -0.01760742 -0.02019739 0.00017178 C 17.53721525 15.68221713 7.54281960 -0.00440785 -0.01908647 0.00000290 C 18.93992874 13.89565904 7.54087876 -0.02288971 -0.03697588 -0.00389140 C 17.55264458 13.46665346 7.53932045 -0.02408332 -0.01691106 -0.00410943 C 17.10041938 17.02579421 7.54266908 -0.01059171 -0.00221651 0.00361783 C 10.36768953 15.26701685 7.54112830 0.01575340 0.02309067 -0.00764840 C 11.75368387 15.69189352 7.53943482 0.02852439 0.00310632 -0.00728519 C 10.37315899 13.89004250 7.54285977 -0.00653175 0.01258086 0.00002367 C 11.76510940 13.47599643 7.54338407 0.02102739 0.01817310 -0.00085161 N 14.63806387 16.63288614 7.54259726 -0.00061657 -0.02575679 -0.00442526 N 14.66142859 12.51886909 7.54217141 0.01143927 0.02347087 -0.00300548 N 16.71061382 14.56779107 7.54204672 -0.02446356 -0.01137951 -0.00269628 N 12.59622205 14.59123034 7.54268191 0.02647018 0.00098484 -0.00374647 Zn 14.64780599 14.58153264 7.54244838 0.00867317 -0.00893989 -0.00237198 C 18.17274499 18.07661532 7.54234927 0.00031582 0.02444504 -0.01935066 C 18.70468275 18.57914920 8.75103373 0.00385233 0.03496486 -0.00485285 C 18.70480192 18.57891751 6.33296200 0.00056532 0.02701713 0.00871749 C 19.70245292 19.57385778 8.76424428 0.02459326 0.02288767 0.00986154 F 18.26441144 18.09716202 9.93923874 -0.01889885 -0.00914565 0.00106649 C 19.70274419 19.57349774 6.31920010 0.02159763 0.02032141 -0.00926441 F 18.26520807 18.09618269 5.14457808 -0.02328748 -0.00443983 0.01165391 C 20.18508917 20.08307464 7.54166160 0.03685471 -0.01132575 0.00295639 F 21.12244789 21.05336078 7.54172031 0.04130152 0.01506301 -0.00001774 F 20.20481731 20.04350608 9.92997404 0.00187284 0.00653427 0.03018816 F 20.20554838 20.04289250 5.15353118 -0.00250617 0.00827722 -0.02982871 C 11.16080681 18.06879086 7.51869706 0.02020278 -0.02161906 -0.00147022 C 10.28597631 18.94353931 7.50945724 -0.00395315 0.00318663 -0.01182748 C 9.27165104 19.95754889 7.53351425 0.00304072 -0.00266633 0.01116032 C 8.77870216 20.45016982 8.76872988 0.00026232 0.00064668 0.02032522 C 8.73063443 20.49886238 6.33190661 -0.00968040 0.00981643 -0.00610835 C 7.78570506 21.44298183 8.81850715 -0.01031774 0.00970365 0.00873835 H 9.19304917 20.03614871 9.70704334 -0.01273097 0.01204184 0.03664193 C 7.74309288 21.48612092 6.37302513 -0.00727548 0.00457588 0.00748415 H 9.10006178 20.12931992 5.35682037 0.01233241 -0.01155484 -0.00637073 C 7.25972847 21.96899081 7.61562361 -0.00883895 0.00927303 0.00134264 H 7.42295053 21.80576024 9.79705495 0.00311572 -0.00358300 0.01182826 H 7.31608678 21.91239740 5.44595593 0.01723018 -0.01554361 -0.01263663 O 6.28988667 22.93863900 7.53353551 -0.00300467 0.00184650 -0.02729608 C 5.76816409 23.45918216 8.76088296 0.01525441 -0.01549353 -0.00400261 H 5.00880734 24.21847996 8.47339919 0.02946784 -0.03077358 -0.00664959 H 6.56350557 23.95148016 9.37092739 0.00108926 -0.00980766 0.02795393 H 5.27609070 22.66299453 9.36995261 0.00849072 -0.00024831 0.02844822 C 11.15273371 11.05657829 7.54237993 -0.02495106 0.00267494 0.00181385 C 10.65018994 10.52512191 6.33311923 -0.03123508 -0.00169600 0.00792974 C 10.65008924 10.52491578 8.75151449 -0.02845262 -0.00363911 -0.00600057 C 9.65552167 9.52725792 6.31991575 -0.02200925 -0.02290877 -0.00968984 F 11.13195953 10.96566409 5.14463639 0.00723960 0.01692411 0.01487929 C 9.65560544 9.52693857 8.76517471 -0.02111412 -0.02219681 0.00838355 F 11.13257040 10.96477823 9.93992630 0.00502590 0.02304871 -0.01210233 C 9.14643827 9.04443862 7.54254236 0.00839500 -0.03531982 -0.00073329 F 8.17543734 8.10777414 7.54238986 -0.01412426 -0.04028805 -0.00024993 F 9.18562904 9.02492814 9.93094671 -0.00753149 -0.00016332 0.02790738 F 9.18500032 9.02551908 5.15426291 -0.00379278 -0.00272209 -0.02981372 C 18.14271138 11.08649164 7.52588157 0.00512308 -0.00414276 0.00846324 C 19.01843863 10.21095969 7.52235948 -0.00789983 0.00599728 -0.01406165 C 20.03516680 9.19354631 7.53861744 -0.01268787 0.00894198 0.00828060 C 20.53112471 8.69810447 8.77901292 -0.01907538 0.01995180 0.00984649 C 20.56732847 8.66013344 6.32839175 -0.01721815 0.01440177 0.02003358 C 21.52199388 7.70723204 8.81065096 -0.01027772 0.01307039 0.01194125 H 20.12005882 9.10868603 9.72044732 -0.00057371 0.00210279 0.00721012 C 21.55829663 7.67028601 6.36645235 -0.01708333 0.01458085 0.01097004 H 20.18961472 9.03650530 5.35871644 -0.00438500 0.00657674 0.02011484 C 22.04307516 7.18630235 7.60307759 -0.00649705 0.01010001 0.00498112 H 21.90315002 7.32659691 9.77642389 -0.00619137 0.00517506 0.02743944 H 21.98843680 7.23970186 5.44137831 -0.02228853 0.02214256 -0.00312282 C 23.09998506 6.12998636 7.56771354 -0.00319889 0.00054169 0.00036172 O 23.58064191 5.64851024 6.53946579 -0.00892690 0.01134474 0.03897088 O 23.49596002 5.73503074 8.82519219 -0.01142163 0.01288152 0.01995422 H 24.18654178 5.04525671 8.64741709 -0.02073238 0.01939600 0.00558631