500 Lattice="25.3701649126715 0.0 0.0 0.0 25.3701649126715 0.0 0.0 0.0 25.3701649126715" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.198861427907353 stress="-0.00010348946745102689 -1.8086499179780305e-05 -2.3042089943330562e-05 -1.8086499179780305e-05 -7.607795771277348e-05 -1.7449892308000402e-05 -2.3042089943330562e-05 -1.7449892308000402e-05 -0.00011288165493531948" free_energy=-17.198861427907353 pbc="F F F" Ar 0.00130687 0.03284130 0.05500325 -0.01461360 0.00812342 -0.01152931 Ne 2.60302395 2.52745090 0.05024611 0.00047504 0.00058951 0.01101704 Ar 2.52205126 0.03462220 2.54570440 0.05442337 -0.00250865 -0.01719102 Ne 0.02918863 2.50319463 2.59945211 0.00905122 0.00425693 -0.00119441 Ne 5.08480930 0.04456616 0.02366326 -0.00014723 0.00823931 0.00874595 Ne 7.56774707 2.52005215 0.03737004 0.00070987 0.00240066 0.01124217 Ar 7.64694009 0.01341930 2.50747266 -0.04661329 -0.00163021 0.03146480 Ne 5.07185135 2.54517098 2.46993420 0.00026887 0.00280834 0.00181716 Ar 10.13517754 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