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=1290.3128216583027 stress="-229.18073090837436 69.58838380460247 -96.06464809622089 69.58838380460247 -136.30605371472294 -32.88716827763832 -96.06464809622089 -32.88716827763832 -203.21592434753555" free_energy=1290.3128216583027 pbc="F T F"
U       0.29594673       0.15710459       0.24122900   -3907.03961252    -634.31862221   -4204.51309455 
U       1.52201293       1.31634348       0.05659446     491.24917765     671.46283592    -437.29934507 
U       1.22051529       0.19273990       1.30722932    5927.42450459   -2797.47287330    3439.74884806 
U       0.25403545       1.21294510       1.68817113   -2511.63406972    2760.32865959    1202.06359156