256 Lattice="15.971378326416016 0.0 0.0 0.0 15.971378326416016 0.0 0.0 0.0 15.971378326416016" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1002.6010081888899 stress="-4.141829559027315 -2.5176874964110034 1.9297203645153118 -2.5176874964110034 -4.826148123105959 2.0774888966888447 1.9297203645153118 2.0774888966888447 -5.348491812129312" pbc="F F F" Ti -0.02765096 -0.03564950 0.00005460 0.55484948 0.63687333 0.54446977 Ti 2.03042968 1.94576507 -0.03355589 -0.33971358 0.14655274 0.05789066 Al 2.00505043 -0.02046991 1.99884646 0.38666554 0.16904447 0.15260770 Ti -0.00290167 1.96437445 2.01716674 -0.08401594 0.17363071 -0.45238405 Ti 3.98006155 -0.02232453 -0.03586959 0.18574426 0.23015713 0.44802452 Al 6.00528621 2.00231620 0.03306598 -0.17206945 -0.09570604 -0.27792738 Al 6.00847600 -0.03191150 2.02977109 -0.13438325 0.29490709 -0.16020651 Ti 4.02733197 2.02173603 1.99301434 -0.31939842 -0.71190755 0.27421487 Ti 8.03978862 0.05082719 0.00104134 -0.31203131 -0.05646230 0.04798739 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0.36127576 0.12512307 0.36508932 Ti 6.01366826 11.94530993 14.00752941 -0.14386952 0.30513670 0.30037610 Ti 4.02397973 13.92838866 13.94055003 -0.15861921 -0.04988994 -0.01332567 Al 7.96566079 11.94212603 12.00768404 0.41161709 0.33636181 -0.66216675 Al 9.95368701 13.98901800 12.01410100 0.45058312 -0.41317149 -0.25753929 Al 9.99824786 12.01809031 13.98678264 -0.12687265 -0.19974669 -0.18766133 Ti 7.97679453 14.00261937 13.97097466 -0.20045209 -0.14204547 -0.18970823 Ti 11.98751204 11.97173358 11.95880244 0.08329392 0.62640455 0.28308263 Ti 13.95881769 14.01169197 12.01775874 -0.41078624 -0.55470203 -0.16543801 Al 13.99082354 11.97829766 14.01096146 -0.37609099 -0.16562681 -0.69246546 Al 12.01426308 13.93890114 14.00570502 -0.38132258 -0.33482388 -0.45788639