4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=53.15059376803092 stress="-16.86225600908791 0.3106008621720459 -2.5449368601653077 0.3106008621720459 -19.596553673439285 -5.5648378082138645 -2.5449368601653077 -5.5648378082138645 -24.06755570813834" pbc="F T T" Br 0.14631568 0.13993511 0.02716520 -203.31376249 -45.14842599 -223.01624811 Br 1.74099145 1.59213537 0.16123610 80.24087143 -81.98057678 -123.21373516 Br 1.32607569 -0.04707214 1.43203775 260.75696049 106.23708042 237.92125557 Br 0.00329184 1.53495013 1.34603395 -137.68406943 20.89192234 108.30872770