256 Lattice="29.822076356520693 0.0 0.0 0.0 29.822076356520693 0.0 0.0 0.0 29.822076356520693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-124.9708885187786 stress="-5.5974049502313317e-05 3.2279513714094106e-06 1.3812640487019418e-07 3.2279513714094106e-06 -5.359511403387981e-05 -7.349039156064294e-06 1.3812640487019418e-07 -7.349039156064294e-06 -5.3600874182946376e-05" free_energy=-124.9708885187786 pbc="F F F" K 0.04584130 0.01545035 0.00015079 -0.04776004 -0.04543432 -0.05136355 K 3.73475205 3.76460621 0.06061108 0.06451449 0.05311845 -0.11413809 K 3.65513320 0.04234141 3.71548236 0.07642960 -0.10766410 0.06633406 K 0.02504722 3.76270088 3.65963894 -0.11800433 0.04168572 0.07034030 K 7.50671850 0.01700227 0.05832509 -0.00374476 -0.06440360 -0.06941798 K 11.24256832 3.69478811 0.02252637 -0.01771428 0.07863201 -0.08456495 K 11.13351403 0.04859627 3.75266380 0.01527375 -0.08246351 0.08139203 K 7.43410417 3.70396491 3.71849265 0.02859502 0.09469461 0.10591321 K 14.91425356 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