32 Lattice="6.381229400634766 0.0 0.0 0.0 6.381229400634766 0.0 0.0 0.0 6.381229400634766" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.33544659093299717 stress="-10.134950093165521 -0.5369252677001244 -1.4299743706231194 -0.5369252677001244 -11.505848243667826 -3.869509342661824 -1.4299743706231194 -3.869509342661824 -8.624871872291278" pbc="F F F" Kr 0.06573264 0.16800266 -0.21065980 -0.09033928 0.01255911 -0.06696673 Kr 1.81002070 1.46619786 0.03335415 -0.95885889 0.52989811 0.00889181 Kr 1.26795466 -0.17837333 1.51182557 0.19668650 0.00229511 -0.09815244 Kr 0.03631275 1.93955411 1.75023434 -0.42941060 -0.52613626 -0.17444356 Kr 3.09653171 0.11141345 0.03623361 0.48780585 -0.76575171 -0.15125029 Kr 4.78331012 1.68944187 0.00801314 -0.01704606 0.19944912 -0.09724767 Kr 4.67783936 0.08849941 1.29403653 0.29357404 -0.16574539 0.26650142 Kr 3.17539041 1.69784357 1.74871620 0.48144587 -2.50178635 -2.28745322 Kr 0.03047869 3.29584955 -0.01453710 -2.10108926 -1.96731250 -0.62912804 Kr 1.29837603 4.43975342 0.34745656 2.49688050 1.96520616 0.20637326 Kr 1.68364179 2.97207365 1.77527806 -0.92132720 0.51279481 -0.74145184 Kr -0.16727366 4.90140593 1.54213441 -0.39458313 0.13811605 0.37536025 Kr 2.92737744 3.11227859 -0.03596341 0.33984290 0.27883560 -0.02438131 Kr 4.73758219 4.89018778 0.06049746 -0.02138729 -0.03051537 0.01253656 Kr 4.98555462 3.38078432 1.80960150 0.08474898 -0.97746392 -0.99785457 Kr 3.27599563 4.78158760 1.83403798 -0.09493753 0.06226866 -0.27142094 Kr 0.01803108 0.08427167 3.10882538 -0.13241778 0.03287915 0.19365572 Kr 1.83511591 1.32866091 3.58576745 -0.18745818 0.49053140 -0.57855764 Kr 1.77903888 -0.07549200 4.91265903 -0.04067423 -0.50584453 0.39568186 Kr 0.14195330 1.45933095 4.98171996 -0.04368113 0.04267772 0.00088302 Kr 3.10506954 -0.17635663 2.72661840 0.01951719 -0.13420703 0.13610940 Kr 4.85518402 1.49694135 3.10909295 0.05239376 -0.05917866 -0.04983776 Kr 4.91851036 -0.08005918 4.82690346 0.33324322 -0.32376166 -0.02615980 Kr 3.49414517 1.27085639 4.83059769 -0.26056607 0.34092894 0.09729989 Kr 0.06377763 3.39233618 3.17731659 -0.40357017 -0.10728899 -0.32062529 Kr 1.69961259 4.77815208 3.21327496 0.03199143 0.30031141 -0.18310252 Kr 1.45213541 3.32639147 4.56998447 0.50218173 -0.45134748 0.54418241 Kr 0.00872220 4.76924261 4.65616438 -0.20104796 0.36959523 0.23877253 Kr 3.09781050 2.94988896 2.94739257 0.96028604 2.30002645 3.17986451 Kr 4.87828343 4.64641599 3.14421167 0.06680779 0.88639713 1.03606992 Kr 4.85066688 2.96246431 4.70634104 0.07825014 0.01045424 0.01029834 Kr 3.46609050 4.58690349 4.82987277 -0.12726119 0.04111545 -0.00444729