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=121.73012839981145 stress="-8.48780226925165 0.12128040633167791 0.5254392415305525 0.12128040633167791 -4.696260596785445 -0.15187500143647384 0.5254392415305525 -0.15187500143647384 -8.538694337175285" free_energy=121.73012839981145 pbc="T F T" Na 0.05110767 0.12648720 2.89480571 -18.00295366 -51.20832636 -2.16004165 Na 1.29465254 1.23404592 0.26894294 35.50958273 47.40572358 -28.26938616 Na 1.47783967 0.11425863 1.60377621 14.61349184 -51.96510598 3.58658991 Na 0.21559994 1.44730467 1.28902994 -32.12012091 55.76770877 26.84283789