32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=890.8042058027777 stress="-10.06141530767493 0.4220267542799399 -1.4137101721167702 0.4220267542799399 -14.659927639250357 3.723140287735685 -1.4137101721167702 3.723140287735685 -17.53481980496329" free_energy=890.8042058027777 pbc="F F F" Al 0.18022474 0.37213820 0.24493277 -37.61734088 -110.19385885 -100.71409110 Al 1.18552004 1.83181576 0.31142736 132.06086335 -36.06386815 -129.83891818 Al 1.59836637 0.39256018 1.46256803 -10.04632718 -11.85799153 96.16668387 Mn 0.21906288 1.36575278 1.26742953 -105.51378697 51.17845335 155.23820092 Pd 2.41039270 0.02175993 0.18226365 52.13221203 -31.08523969 -83.20283882 Pd 4.46768379 2.02726056 0.24001844 21.54937635 -28.84864469 -22.83430514 Al 4.46865867 0.07485787 1.39548578 2.31213653 -6.01195451 -0.72482999 Mn 3.12190207 1.80319908 1.20611227 1.29291896 -27.59731655 22.95117100 Mn 0.14830078 2.87467826 0.10484780 -81.48650816 37.60349617 -25.38459301 Al 1.03488472 4.32591757 0.04826778 125.94595492 -13.06109756 -180.89883410 Al 1.30615972 2.87159773 1.53348737 6.47317620 44.15611405 78.47396732 Al 0.24227423 4.62933971 1.18291593 -126.12300916 56.07230533 173.71393831 Al 2.67387261 3.17713129 0.37315449 -21.81561780 4.01175969 -50.94281406 Al 4.32279487 3.96283736 0.17111295 -87.16122953 1555.54121615 -1841.58520752 Mn 4.37137301 3.31465475 0.94127513 140.92933570 -1522.78792918 1831.35266292 Mn 3.12229462 4.34886306 1.51033670 -29.89557760 31.84743176 6.57422448 Mn 0.35363325 0.17899621 3.01878001 -24.15685297 -18.02880117 -14.83037535 Pd 1.56294209 1.32323195 3.29941889 87.13330580 283.12708230 -407.51364900 Pd 1.45854772 0.18259565 4.39705932 -15.78039640 -374.59640163 349.65343304 Pd 0.06013337 1.66039283 4.44339926 -329.26619768 -194.54234773 36.17779748 Mn 3.09214961 0.22378441 3.31898049 6.37299807 -12.22881926 -15.12658720 Al 4.56093870 1.68661677 2.99061613 13.41116412 -10.43942551 -12.45894558 Pd 4.21091411 0.43706964 4.59322636 15.52895109 -8.26005659 17.06391124 Mn 2.80325540 1.91948123 4.40211623 15.29624040 -12.15560801 20.11016167 Mn 0.30194169 2.48688952 3.10858130 -24.44709519 19.61529709 -20.97091942 Mn 1.41073672 4.51657305 3.03697938 -10.78977459 8.81588299 -4.31301108 Pd 1.31122734 2.71221026 4.53235629 238.00150299 272.30149213 88.12414413 Mn 0.11172674 4.49671791 4.55257882 -2.92220696 4.80640175 -2.55613196 Pd 3.24684207 3.12315688 3.23886447 -503.20724677 -503.77145098 -985.82827621 Al 4.44465714 4.49233578 2.54691979 30.39067359 17.06856033 16.11739810 Pd 4.39806491 3.12106612 4.21078421 716.91051980 -40.41802247 555.16882653 Pd 2.93984207 4.26022098 4.22132455 -195.51216206 575.80334099 452.83780672