64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-28.947236117776853 stress="7.40299020416696e-05 5.828833799593406e-06 6.800201515139601e-05 5.828833799593406e-06 5.5788168926165186e-05 9.889980450489477e-05 6.800201515139601e-05 9.889980450489477e-05 6.972344146292738e-05" free_energy=-28.947236117776853 pbc="F F F" O 34.90060281 35.26865450 35.09361494 -0.22196951 -0.51060923 -0.42608512 O 35.52155593 36.94679975 36.52527694 -1.98859068 5.35253273 10.94920249 O 37.44911471 37.75306836 34.81443900 0.16857427 0.05140073 -0.19933476 O 38.42670380 38.84944552 36.60961810 -8.32695178 4.94316540 2.51932346 O 38.06698730 35.04767051 37.03499572 -0.24768877 -0.28317689 0.02248775 O 38.39035873 36.56037550 39.59797579 -0.25576543 -0.06268241 0.40803764 O 35.21940011 37.59407382 37.89174020 0.85241825 -6.25072885 -11.40298652 O 36.67046722 38.29490919 39.22388604 2.03682769 -2.30776991 4.78393296 O 39.85788646 35.37366765 34.97501262 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