32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.6305295475178414 stress="0.00024579166241002855 6.163777748372553e-06 -4.887533728690555e-05 6.163777748372553e-06 0.000283540192856465 -2.3710795299035122e-05 -4.887533728690555e-05 -2.3710795299035122e-05 0.00019364175378738265" free_energy=-2.6305295475178414 pbc="F F F" H 21.26125125 21.24122900 21.02201293 4.45801391 2.25667600 2.31157593 H 22.31634348 22.17880758 20.98566276 -2.79374414 -3.69278619 1.56677757 H 22.31443107 21.04376171 21.98823979 -2.30402885 2.06561972 -3.11183594 H 21.19273990 22.30722932 22.26172667 0.39509705 -0.78057319 -0.82441847 H 23.83047891 21.00330416 20.96067627 0.10178425 -0.14468408 -0.09054156 H 25.33701541 22.55210095 21.43081385 -1.61673667 0.22342745 0.91602193 H 25.42424725 21.27249790 22.70975517 0.13883265 -0.09887715 -0.11878499 H 23.95706424 22.77559981 22.21321713 0.47044726 1.86838114 -1.87707156 H 21.39565392 23.99787669 20.99685956 1.94165922 4.30742392 -0.09572473 H 22.02466608 25.30470341 21.01170256 -2.81869377 -4.02097406 0.90707500 H 22.75551247 23.85444624 22.49188881 1.70430055 -0.87239534 -1.37688498 H 21.07741478 25.51531399 22.32275483 0.63157209 -0.08073969 -1.00108549 H 23.70575425 23.96963223 21.15586213 -0.47608240 -1.34147531 2.09334424 H 25.52761294 25.28815338 20.77786731 0.02584220 0.03814490 -0.04447511 H 25.65274814 24.20036210 22.74843919 -0.24014298 2.72046689 2.69053370 H 24.01243351 25.26023492 22.87787417 -2.05466611 0.66430824 1.27757811 H 21.25911890 20.94837411 24.19877714 1.37949121 0.04267346 1.00626579 H 22.70000959 22.42891134 24.31487394 -0.05589884 -1.37994721 1.90304246 H 22.55442580 21.13345503 25.13275387 -1.19041608 2.15495061 -2.55591869 H 21.32064668 22.55791531 25.23387496 0.57535947 1.05885337 -1.44107846 H 23.91680100 20.94927168 23.76885767 0.01494152 -0.14063863 -0.02604838 H 25.62992722 22.72580078 23.92866320 0.13198135 -0.05736990 0.09528379 H 25.45143532 21.12218974 25.58844447 0.04316041 -0.05061464 0.03856046 H 23.94832183 22.71186360 25.59260533 -0.00931457 0.01139192 0.04925438 H 21.27143892 23.74296046 24.10338854 0.12446754 -0.88747347 1.33071281 H 22.64660358 25.52830948 23.62640210 2.21435053 -0.27771827 -1.16276517 H 22.24663523 24.21915356 25.44857885 -0.67803783 0.59819783 -0.08171230 H 21.36714570 25.63912290 25.74453430 0.35142525 -0.57708785 -0.10314842 H 23.75216167 23.64703596 24.05080476 -0.94558167 -1.19251129 0.32832982 H 25.49611405 25.24795387 23.82929456 0.34821164 -2.53877147 -2.88967948 H 25.07809601 24.13816024 25.37993804 -2.03431525 2.17177963 0.47676768 H 23.99252029 25.24202669 25.52425400 2.16672107 -2.04765735 -0.18994992