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=-19.02232304422271 stress="5.475108162221279 0.7540045963424338 -8.04894183790897 0.7540045963424338 7.4104912530616485 -11.073676835990375 -8.04894183790897 -11.073676835990375 19.345792092939163" pbc="F F F" He -0.01643439 -0.23227551 -0.12717625 -0.88361251 -1.21796399 0.53367666 W 1.24014891 1.43198894 -0.17256882 -3.82375561 -5.03781096 10.50899681 H 1.08848106 -0.29059379 1.61893942 0.38664251 5.27287230 -5.85857458 H -0.27043062 1.07127504 1.53926819 4.32072561 0.98290266 -5.18409889