500 Lattice="13.189823322027937 0.0 0.0 0.0 13.189823322027937 0.0 0.0 0.0 13.189823322027937" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.666800700173861 stress="-0.005081223755227617 1.0710645465501425e-06 2.025782830178579e-06 1.0710645465501425e-06 -0.005080051739641174 1.7240125623586854e-06 2.025782830178579e-06 1.7240125623586854e-06 -0.005082184658224943" free_energy=5.666800700173861 pbc="F F F" Ar 0.00041299 0.04334326 0.03920017 -0.01215707 -0.01297357 -0.01439646 Ar 1.38646152 1.28195086 0.03199705 -0.00321615 0.00399782 -0.02135572 Ar 1.25914520 0.02113789 1.33170761 0.00415460 -0.02277286 -0.00005082 Ar 0.02777304 1.27913550 1.24752447 -0.02122375 0.00629836 0.00108801 Ar 2.63250129 0.04328624 0.04650128 -0.00000213 -0.01902607 -0.01667883 Ar 3.93860510 1.31170972 0.03043474 0.00203593 0.00206587 -0.02249396 Ar 3.92488623 0.02773282 1.32288134 0.00290092 -0.02247398 0.00107146 Ar 2.67877057 1.35512204 1.31395182 -0.00334136 -0.00022808 0.00311188 Ar 5.21998123 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