500 Lattice="13.189824811710821 0.0 0.0 0.0 13.189824811710821 0.0 0.0 0.0 13.189824811710821" Properties=species:S:1:pos:R:3:forces:R:3 energy=5.681195575225079 stress="-0.005093626597969711 4.400847583580217e-06 1.7784761939564287e-06 4.400847583580217e-06 -0.005090671852428816 -2.4697388031014475e-06 1.7784761939564287e-06 -2.4697388031014475e-06 -0.005089619428712143" free_energy=5.681195575225079 pbc="F F F" Ar 0.01582167 0.05237393 0.01525144 -0.01137603 -0.01107655 -0.01082938 Ar 1.31966324 1.35229444 0.00076020 -0.00084079 0.00022189 -0.02156614 Ar 1.37260169 0.01804652 1.29827566 -0.00388165 -0.02265849 0.00046251 Ar 0.04525550 1.31774912 1.36730892 -0.02201390 -0.00181024 -0.00217983 Ar 2.60955866 0.04286160 0.03397970 0.00265888 -0.01649422 -0.01778947 Ar 3.97254722 1.34212937 0.01714225 -0.00221182 -0.00196232 -0.02258935 Ar 3.96092628 0.00811593 1.35439591 0.00033273 -0.02056403 -0.00166306 Ar 2.61342992 1.35945118 1.28648033 0.00281647 -0.00117219 -0.00287848 Ar 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