108 Lattice="18.576210485064266 0.0 0.0 0.0 18.576210485064266 0.0 0.0 0.0 18.576210485064266" Properties=species:S:1:pos:R:3:forces:R:3 energy=-11.486237389964593 stress="-0.5295718779312717 -0.07787616574831863 -0.19667135442070743 -0.07787616574831863 -0.5030828892716261 -0.042574928005759904 -0.19667135442070743 -0.042574928005759904 -0.5028232691703409" pbc="F F F" Xe -0.05979915 -0.05044947 -0.05145109 0.00873588 0.01173734 0.00989572 Xe 3.14960689 3.08667306 0.04992429 -0.02345273 0.01489765 -0.02688055 Xe 3.11319270 0.04649476 3.07942818 -0.01032618 -0.02406045 0.01228385 Xe 0.02979982 3.13559808 3.15346522 -0.01475923 -0.00170211 -0.00501151 Xe 6.21607303 0.03783004 -0.00510094 0.00320513 -0.01700281 -0.00928759 Xe 9.28772444 3.09954177 0.02644257 0.00749778 0.01346633 -0.00451532 Xe 9.25336145 -0.02863040 3.15422185 0.01521697 0.00418348 -0.01074818 Xe 6.14879230 3.08575946 3.07528394 0.02597956 0.02798181 0.02986631 Xe 12.38369287 -0.04632534 -0.05217080 -0.00778773 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