16 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=225.79219837376183 stress="-0.006386811099178773 -0.00033847062559510226 -0.0008535623558270603 -0.00033847062559510226 -0.007199791231776539 -0.0004721034641005985 -0.0008535623558270603 -0.0004721034641005985 -0.0065476292371978335" free_energy=225.79219837376183 pbc="F F F" K 20.88106935 20.74663523 20.98702489 -6.56210802 -10.34391626 -10.38588668 K 22.40155398 22.68843096 22.67061300 -5.30701504 -19.28841916 -29.10716414 K 24.13851683 20.96863002 20.94630638 -2.47121869 -22.50408891 -20.66298421 K 25.53851086 22.64982991 22.24795387 44.43572481 -22.33048254 7.57261949 K 20.82929456 23.78747849 20.89476746 -16.60507144 5.33816199 -19.41592184 K 22.24887902 25.78095696 22.32464588 2.37448215 26.97539988 -11.26206455 K 24.26008946 23.87675974 20.82230465 -16.84649966 16.08472587 -42.17106217 K 25.78460712 25.25346517 22.31509580 19.79006778 29.55459413 1.56107275 K 20.77715687 20.74014891 23.96437677 -17.26628610 -16.33480612 5.02255565 K 22.57148080 22.29546282 25.20940621 -12.06255049 -17.56188683 48.32567765 K 24.11893942 20.72956938 23.83885520 10.72410602 -32.15552509 4.25493806 K 25.53926819 22.73010044 25.59566688 23.70001459 -22.75976741 23.41496438 K 21.12528982 24.12033173 24.04639637 -52.37070325 9.67951761 9.88243518 K 22.84120565 25.29301824 25.23241985 -6.06683616 37.90208213 33.30866127 K 24.07255377 23.76947317 24.01258782 18.20788341 14.67848378 -11.69652164 K 25.66911338 25.30454100 25.62365747 16.32601008 23.06592695 11.35868081