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=43086.286123105114 stress="-146.02687523405552 0.5655550697462433 0.34850461127431653 0.5655550697462433 -145.86570471402692 0.3643202193673186 0.34850461127431653 0.3643202193673186 -146.42480632015776" free_energy=43086.286123105114 pbc="F F F" Ne 0.00377227 0.00829728 0.00938924 -227.64810122 -221.90500435 -226.76132482 Ne 1.06960086 1.04830708 0.00574985 -24.49768056 53.86510030 -441.03715300 Ne 1.06582342 0.02401225 1.03518765 -44.90230240 -425.75469554 129.02419223 Ne 0.00610084 1.07599408 1.03648049 -426.92022666 -52.37433550 137.00203120 Ne 2.08666028 0.01943429 0.01232104 129.66937637 -341.53026764 -338.29885788 Ne 3.18659560 1.04438076 0.03484602 -32.85941078 58.90764174 -421.52315730 Ne 3.16541471 0.01346904 1.08838849 136.40054852 -446.46886240 -130.67952109 Ne 2.14296411 1.04391268 1.10083360 -83.15927550 196.48752309 -141.34672597 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