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=429.93494164495587 stress="-0.033846011083489384 -0.010518865347126847 -0.012205420684541727 -0.010518865347126847 -0.03076676027928565 -0.011294038126306966 -0.012205420684541727 -0.011294038126306966 -0.026537122700376885" pbc="F F F" Na 20.99810368 20.81698966 20.92761334 -82.92183725 -68.54047249 -58.40292729 Na 22.46166281 22.31461778 22.21932072 -216.96686941 114.54494622 340.55982104 Na 23.76093560 20.81446926 21.11099574 189.51274350 -236.45587463 -186.02056446 Na 25.76510069 22.43252802 22.14171338 92.41057983 -33.81897516 35.64554755 Na 21.10347796 23.88624878 20.85588340 -65.44388214 60.68096329 -55.00114089 Na 22.69434574 25.61940242 22.75017094 -42.27496643 96.35256541 -78.33253163 Na 23.92860902 23.70615416 21.04303075 47.71115654 136.18070092 -185.83017831 Na 25.55137730 25.35538377 22.12052616 51.55734933 51.46405943 17.65708012 Na 20.94363137 21.09587308 24.14511042 -446.27799518 -360.54954922 -320.71613076 Na 22.38495279 22.25653536 25.26220794 378.52809714 334.73187781 388.39868239 Na 24.12875421 20.96448566 23.82583482 -108.24354390 -225.94011884 -199.98104660 Na 25.20069651 22.20999040 25.40034999 196.81313055 128.74782013 255.14657438 Na 20.85594923 24.20796155 24.07473509 -105.13031860 -62.52414205 -64.88377755 Na 22.27057050 25.50601392 25.59060767 40.71891370 83.51948429 104.22135263 Na 23.98006738 24.08150566 24.17488524 -102.61367779 -186.23545127 -119.91180052 Na 25.43993920 25.50585379 25.24736983 172.62112010 167.84216615 127.45103990