16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=225.792198374 stress="-3.89336377309519 -0.2063297710681135 -0.5203267644289888 -0.2063297710681135 -4.3889518447244305 -0.2877915904728035 -0.5203267644289888 -0.2877915904728035 -3.9913975966884077" pbc="F F F" K -0.11893065 -0.25336477 -0.01297511 -6.56210802 -10.34391626 -10.38588668 K 1.40155398 1.68843096 1.67061300 -5.30701504 -19.28841916 -29.10716414 K 3.13851683 -0.03136998 -0.05369362 -2.47121869 -22.50408891 -20.66298421 K 4.53851086 1.64982991 1.24795387 44.43572481 -22.33048254 7.57261949 K -0.17070544 2.78747849 -0.10523254 -16.60507144 5.33816199 -19.41592184 K 1.24887902 4.78095696 1.32464588 2.37448215 26.97539988 -11.26206455 K 3.26008946 2.87675974 -0.17769535 -16.84649966 16.08472587 -42.17106217 K 4.78460712 4.25346517 1.31509580 19.79006778 29.55459413 1.56107275 K -0.22284313 -0.25985109 2.96437677 -17.26628610 -16.33480612 5.02255565 K 1.57148080 1.29546282 4.20940621 -12.06255049 -17.56188683 48.32567765 K 3.11893942 -0.27043062 2.83885520 10.72410602 -32.15552509 4.25493806 K 4.53926819 1.73010044 4.59566688 23.70001459 -22.75976741 23.41496438 K 0.12528982 3.12033173 3.04639637 -52.37070325 9.67951761 9.88243518 K 1.84120565 4.29301824 4.23241985 -6.06683616 37.90208213 33.30866127 K 3.07255377 2.76947317 3.01258782 18.20788341 14.67848378 -11.69652164 K 4.66911338 4.30454100 4.62365747 16.32601008 23.06592695 11.35868081