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=-12.993266683634333 stress="21.403772675251027 -0.35535306958293056 -2.3496428217072625 -0.35535306958293056 23.5200239253088 -0.40765730082986984 -2.3496428217072625 -0.40765730082986984 16.012758442192137" pbc="F F F" Mn -0.16466555 -0.25851365 0.08611608 6.28375671 7.03146133 4.57740009 Mn 1.53369179 1.52598936 -0.27670350 -6.26046521 -5.71085051 6.89681111 Mn 1.46375436 -0.09416457 1.25559716 -6.11496131 5.60625484 -6.18397985 Mn -0.29821528 1.79874826 1.27290972 6.09166981 -6.92686565 -5.29023135