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:Z:I:1:forces:R:3 energy=125047.6597266821 pbc="T F T" Np -0.09352113 0.03844010 -0.21943723 93 49247.52740668 -247116.24329709 261329.66573968 Np 1.31518048 1.56826643 0.31609838 93 44941.69522841 96744.45106113 -94652.82404232 Np 1.58773944 0.12103006 1.49318028 93 -107904.20299197 -153758.56198382 -37644.10141642 Np -0.00416103 1.30531938 1.63788212 93 13714.98035688 304130.35421978 -129032.74028095