124 Lattice="27.20348 0.0 0.0 0.0 27.2708 0.0 0.0 0.0 20.9482" Properties=species:S:1:pos:R:3:forces:R:3 energy=-795.3519462232458 dipole="-0.20478825019716873 0.36984930849150033 -0.5515318636409102" magmom=0.0 pbc="F F F" C 12.32537491 18.95162538 10.45356131 0.00497870 0.00230479 0.00985235 C 11.83341266 17.58449478 10.47358942 0.02871475 -0.00202446 0.02229785 C 10.46496041 17.22754127 10.57526325 0.02849578 0.00596291 -0.00856466 H 7.60696379 13.53096579 10.80188022 -0.01083763 -0.00185829 -0.00922916 H 18.01147312 15.80462041 10.40144111 0.01417895 -0.01828364 0.00235492 H 17.89716340 13.05349497 10.40461378 -0.00554502 -0.00201412 0.00349044 H 14.42333450 19.70956026 10.40731979 -0.01316562 0.01190674 -0.01058302 H 11.70113266 19.85784842 10.47802407 0.00095263 -0.00895266 -0.01476852 H 7.73756466 16.27565678 10.80673600 -0.01645188 -0.00749931 0.00570224 H 13.93706133 9.46354641 10.41813952 0.00954772 -0.01972313 0.00555404 H 11.20040276 9.59763638 10.50142422 0.00737665 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