64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=83.92725003759179 stress="-0.001600850662300522 -0.00017328710164047872 -0.000827547771661587 -0.00017328710164047872 -0.0019473556872156717 -7.363141840825471e-05 -0.000827547771661587 -7.363141840825471e-05 -0.0013640886160483522" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -3.43731155 -3.05161899 -2.08945512 Si 36.59933616 35.93572417 35.98055861 -14.18086903 -34.94264810 18.25466981 Si 37.14715992 37.22516294 35.23402360 -1.17314852 10.77617999 -32.45047742 Si 37.93229823 38.31172061 36.19084223 18.42767162 21.46244870 9.87586583 Si 37.29465675 35.14771729 38.20399864 -4.82663078 0.00064738 0.19133458 Si 39.35802973 36.07349581 38.45018589 -5.82916684 -1.37739320 -9.48855372 Si 34.76884260 38.20444678 38.02575960 -2.48428444 3.07320775 -2.53218568 Si 36.55604684 39.07636534 38.99475015 -57.11239618 83.43727094 -55.85729455 Si 40.23975440 35.55577733 35.25284888 -2.59268159 -2.19293000 -5.39620401 Si 41.57116719 36.00454661 36.78983070 -10.34841242 8.60288133 -7.06237546 Si 42.51432400 36.93324962 34.69615509 -0.13976918 1.35934428 1.24737520 Si 43.42712388 38.91385061 36.22088890 12.04850081 -16.88913545 -10.08228418 Si 42.73578848 35.29825864 37.98568119 12.35607127 -6.96709501 11.90415322 Si 43.94092265 36.79747090 39.26025248 6.07339807 -10.91589300 -12.44668724 Si 39.61890133 37.67682157 37.20485326 6.01803282 3.82483685 0.48289930 Si 40.92663375 38.41370018 39.17474164 6.81766647 -2.03756589 -0.01033525 Si 34.78999998 39.65336482 34.98106946 -2.61865987 -2.05160325 -2.23342534 Si 36.12186196 40.57149940 36.31379331 0.06744389 8.29099596 3.05586638 Si 36.76963915 42.55691150 34.78333901 5.50645138 -0.54900708 5.10842695 Si 38.61643991 43.32327578 36.40123177 -63.95843040 41.73904506 -48.46676723 Si 37.95366604 39.69696332 37.71888199 -11.86109283 -4.13703277 -14.16922673 Si 39.18297782 40.79320854 38.39174556 12.66422027 17.26235879 3.12874662 Si 35.69127342 42.83507907 37.63905551 -2.53720009 -10.58071467 -13.31797900 Si 35.93114464 43.99801325 39.11824152 5.96729980 4.70426296 12.59062626 Si 40.10049303 40.54851891 34.85209736 -0.32042425 -0.69563305 -0.56550389 Si 41.60365422 41.12475624 36.46651109 -27.11413816 31.21630807 -16.87860230 Si 42.06544791 43.43063630 35.46577408 -26.69344392 -11.81452348 -6.81822961 Si 43.61612729 43.80145122 36.02098422 27.32300681 7.74788159 9.13795800 Si 42.58087455 40.09122498 37.35935114 8.00908923 -8.10933907 19.71640296 Si 43.53127631 41.09201764 38.97117919 1.92288254 0.16327379 1.62926198 Si 39.66448343 42.68403127 37.11226018 64.22506612 -47.64541699 46.04290717 Si 40.97555741 43.31914392 38.89352680 -26.09125369 12.29225187 -15.64854085 Si 34.81356338 35.02979695 39.64687243 -1.17856974 -4.36125381 -7.19076177 Si 35.93325827 36.09305905 40.87301830 -1.10477225 15.12423577 -2.93097131 Si 37.00297454 37.99791377 39.62151619 50.91678058 -101.79986109 60.70456778 Si 38.55150311 38.51894432 40.85684932 -10.04049968 -15.52408010 20.06802437 Si 37.02681434 35.22966073 42.20662353 9.79066827 -6.17984243 10.27069610 Si 39.08450338 35.75571598 43.30519610 -37.77047367 -57.76159710 9.84776606 Si 35.19715962 37.96978731 42.51668654 -16.93411379 -17.47667313 -15.30391110 Si 36.22422232 38.84668947 43.54655608 -4.43705776 -5.75341162 26.52680575 Si 39.94580508 35.24192104 40.01079315 5.22026997 -5.00979843 12.41749020 Si 41.48837336 36.00831489 41.43404765 -25.57454314 59.07401260 -20.32835424 Si 42.84911873 37.67270989 40.51987673 -100.63183585 -85.91672939 -66.15253461 Si 43.60556472 38.49425818 41.03735392 83.13771375 90.98107012 76.01336877 Si 42.20384740 34.85081933 42.03810700 31.30179686 -49.89097471 25.13176581 Si 43.96462330 36.16805224 43.76534421 0.04694158 0.00941865 0.04456291 Si 39.73333753 37.00409575 43.00005349 35.16653822 53.83852473 -17.91154104 Si 41.03695434 38.28719268 43.94632733 2.47885756 2.42120391 2.46777710 Si 34.94292271 39.80099153 40.20999044 -5.80891025 7.05610145 0.14323606 Si 36.26332309 41.49467021 41.17665376 -1.05482360 -3.53732596 2.87322974 Si 37.82350393 42.21827495 39.80335328 -20.74398447 -6.47872672 -20.74598068 Si 38.63834321 43.28337470 40.87827378 19.47731805 15.11130944 21.40371120 Si 37.36102597 39.94186987 42.87644269 21.48155923 19.33729378 -16.89452543 Si 39.23911782 40.86547492 43.69892213 1.97238474 3.38931759 -2.00605319 Si 35.06236183 42.74812411 42.77511221 -1.12904367 -1.43763874 -1.85086552 Si 36.48115325 43.96771709 43.78828861 1.59098913 1.87363195 1.67985829 Si 39.50493887 39.93176006 40.24335814 18.62318672 8.78121392 -3.31345741 Si 40.89974943 41.22892384 41.12165250 31.52586597 -42.29091383 -59.91281120 Si 42.34497277 42.80178516 39.71375535 22.92347381 -12.48592553 19.08332054 Si 43.54610002 43.89496231 41.59964402 -0.74517690 -0.20929060 -1.02309413 Si 42.83394746 40.70480081 42.92669675 -53.83905883 -41.67565641 -44.43134040 Si 43.77099171 41.28111300 43.66957874 61.71616358 38.03948656 48.91386183 Si 40.39757659 42.11536967 42.13716159 -41.14310595 51.36048345 56.46469700 Si 40.99934153 43.70821989 43.60820831 0.65797416 -0.60324962 -0.91090417