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=14753.77630214859 pbc="T F F" Rf -0.19493456 -0.28028666 0.30729782 104 523.31863045 -6346.02124250 -4426.85907289 Rf 1.59505459 1.27946642 0.24152030 104 15127.53921881 23266.43264963 -41785.41280350 Rf 1.22310950 0.29146292 1.54399449 104 13215.36577564 -49951.94458130 38299.89168794 Rf 0.24842441 1.66323693 1.37920477 104 -28866.22362491 33031.53317417 7912.38018846