500 Lattice="10.619694838831668 0.0 0.0 0.0 10.619694838831668 0.0 0.0 0.0 10.619694838831668" Properties=species:S:1:pos:R:3:forces:R:3 energy=43090.168281584454 stress="-146.3812644139513 -0.6212282370995851 -0.15555880308327505 -0.6212282370995851 -146.00419442885402 0.4624475034739245 -0.15555880308327505 0.4624475034739245 -145.97564699565527" free_energy=43090.168281584454 pbc="F F F" Ne 0.03461875 0.03275692 0.01899338 -305.83403018 -311.20645647 -229.86348340 Ne 1.04304381 1.02850275 0.02134463 39.37648894 266.60633386 -365.73879743 Ne 1.05050775 0.01271906 1.10569896 71.98432117 -511.21252235 -130.53386120 Ne 0.02025079 1.05436742 1.08794806 -484.91187747 132.23230446 -88.51371424 Ne 2.04695801 0.02238891 0.04026657 124.84785852 -372.65792857 -340.70457924 Ne 3.16524597 1.05369710 0.01378168 -8.39589662 60.74688913 -476.85711703 Ne 3.15778753 0.04113282 1.03256945 59.21876957 -560.70477718 88.05085797 Ne 2.14508589 1.06163713 1.10654153 -253.69945614 179.07584257 -195.25080598 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