4000 Lattice="21.510175809615276 0.0 0.0 0.0 21.510175809615276 0.0 0.0 0.0 21.510175809615276" Properties=species:S:1:pos:R:3:forces:R:3 energy=62565.88768503708 stress="-14.350234771454993 -0.003768873621524507 -0.004167405467579532 -0.003768873621524507 -14.35183682507153 0.004962165231374998 -0.004167405467579532 0.004962165231374998 -14.351710256603024" pbc="F F F" Ne 0.01759281 0.01380481 0.00282778 -17.88209275 -17.05184406 -20.00935223 Ne 1.11394336 1.12915620 0.00285162 -10.38958819 -4.10696074 -37.36292153 Ne 1.11369673 0.01904057 1.02032773 -3.97624781 -36.80923945 6.81464493 Ne 0.01396117 1.01769104 1.11415837 -35.37643129 6.11268834 -7.91972815 Ne 2.15050506 0.02895678 0.04276891 -0.93820140 -30.93286716 -33.37989424 Ne 3.20920206 1.04288998 0.01525231 -1.89902367 7.02118268 -39.32533599 Ne 3.24980170 0.01619929 0.99543918 -3.66695226 -38.80857761 9.42670449 Ne 2.12035001 1.11136379 1.06012283 6.85989405 -0.06267558 9.94797799 Ne 4.30593855 0.02648951 0.02488954 5.57795840 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