32 Lattice="16.08184763115578 0.0 0.0 0.0 16.08184763115578 0.0 0.0 0.0 16.08184763115578" Properties=species:S:1:pos:R:3:forces:R:3 energy=-9.385975396115649 stress="-8.115184137549591e-05 -1.8129428547621336e-06 6.699433635643203e-06 -1.8129428547621336e-06 -7.579353209937981e-05 -1.2945093987435651e-05 6.699433635643203e-06 -1.2945093987435651e-05 -7.785225434883874e-05" free_energy=-9.385975396115649 pbc="F F F" K 0.10101957 0.03546925 0.04724161 -0.00917438 -0.01184060 -0.00411815 K 3.96585886 4.00894669 0.00330207 0.04465309 0.04240073 -0.02868261 K 4.06243267 0.05428786 4.09246736 0.02514597 -0.02591961 0.03085720 K 0.07858636 4.09022625 3.96646519 -0.03351618 0.02206186 0.04302118 K 8.03172381 0.06065154 0.04657299 -0.03063784 -0.02274931 -0.02005166 K 12.03187444 3.99264953 0.04722560 0.01667031 0.03540360 -0.01935227 K 12.08451411 0.01507700 4.00641072 0.00814999 -0.01295684 0.03737805 K 7.96805942 4.01722666 3.95058007 -0.03623236 0.05241678 0.06885673 K 0.04079567 8.10374459 0.02500382 -0.01493786 -0.02760115 -0.02346989 K 4.05154180 12.12921478 0.06860818 0.02562750 0.01353753 -0.01844711 K 3.97946614 8.01561753 4.05076508 0.06233705 -0.03496875 0.04329733 K 0.05434379 12.03326490 3.99788306 -0.01648829 0.01690940 0.04115748 K 7.99907259 8.08106648 0.01134469 -0.03658120 -0.04224095 -0.02348674 K 12.02010666 12.04769199 0.12078066 0.01034590 0.00743594 -0.01019647 K 11.98243427 8.01506974 4.01758340 0.02247149 -0.03811481 0.03724831 K 8.02857085 12.05184035 3.99615009 -0.03450933 0.02165475 0.04811031 K 0.02773260 0.06351590 8.10525654 -0.02215977 -0.01558389 -0.04055231 K 3.95119980 4.05954939 8.04579874 0.06815053 0.04785998 -0.03965101 K 3.99772411 0.00177624 12.02044086 0.03262716 -0.01569156 0.02190891 K 0.04610031 4.00106905 12.10853178 -0.01545449 0.03380816 0.02087371 K 7.97839011 0.00025718 8.08053923 -0.02056871 -0.01614365 -0.04254227 K 12.00712565 4.02681154 8.06564332 0.01819336 0.02685642 -0.04807171 K 12.05992515 0.00591517 12.07336875 0.00297432 -0.00395324 0.00177661 K 8.05423948 4.00933471 11.99977852 -0.04614954 0.03810144 0.02340878 K 0.04403881 7.98920874 8.08435695 -0.02605300 -0.02183873 -0.03476835 K 4.09286788 12.04201968 8.07821510 0.02236501 0.02169303 -0.04503532 K 4.03415969 8.10559013 12.08950396 0.03439304 -0.04613396 0.02107293 K 0.02899023 12.09674061 12.00714362 -0.00560901 0.00414938 0.00241678 K 8.06270898 8.09581672 8.03779481 -0.05814157 -0.06403618 -0.05568348 K 12.12004800 12.00430940 8.06444676 0.01524129 0.02049514 -0.03703380 K 12.02300959 8.02263146 11.98349550 0.02197629 -0.02994590 0.02602309 K 8.07779832 12.00259584 12.00686027 -0.02510876 0.02493498 0.02373575