64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1953.2010073481874 stress="2580.0596188504287 10.10547024820221 1548.7444055264386 10.10547024820221 4990.421542058888 -141.24846497902217 1548.7444055264386 -141.24846497902217 2798.9219602010066" pbc="F F F" Pd -0.16338383 -0.04397611 0.14440139 67.71462255 56.57148993 37.66163742 Al 1.05308540 0.97274566 0.81467411 -68.42613532 -57.49520437 -36.34759456 Mn 2.08235466 2.57081955 -0.03689257 2.63967668 1.83548478 -1.54209564 Mn 4.06991039 4.00878734 2.04863067 -3.95726249 6.44024587 -3.14361509 Al 2.34099422 -0.10113268 2.85569534 -0.42645361 -0.55480597 0.41671880 Pd 3.79195101 0.92484795 4.44161689 212.04803906 -112.37902786 55.33021161 Al -0.29018100 2.47631843 3.13891297 10.94843924 8.01532723 9.48036933 Mn 0.81037704 3.25107554 4.09836995 -10.93952886 -3.25807149 -7.74793130 Pd 4.60294238 0.22886201 -0.14013359 354.09364199 265.18386015 362.30297341 Al 5.45670806 0.86997277 0.73267770 -353.66926239 -265.43692069 -361.69946290 Pd 7.77111783 2.89584739 0.23376922 916.20179657 1233.89593960 719.26640301 Pd 8.46987830 3.83782439 0.78216122 -914.49204130 -1236.73045036 -720.96528064 Al 7.33807437 -0.00131835 2.77542786 -2.54551883 -1.92697523 0.35317231 Mn 8.52653920 1.64519168 2.96440533 2.83966220 1.87888262 -2.19198570 Pd 4.94192291 2.29795430 3.14227318 5.40580444 1.70257219 -6.20812236 Mn 6.09112676 3.63849876 4.55647503 5.59788344 -4.18423302 1.06309893 Pd -0.30069932 5.30112179 -0.12744677 -3.45323377 -2.38327396 -2.44466514 Pd 1.39553634 6.42564496 1.05265670 -0.61976073 -3.01974751 7.53106382 Pd 2.29671098 7.94069347 -0.35796614 27.72804636 19.25804431 13.29321044 Mn 3.72602064 8.74126586 0.73268405 -22.66942330 -13.48752784 -17.87251651 Mn 2.16618067 5.44941105 2.79443790 0.16479607 -2.28403954 2.35531773 Al 3.62148847 6.59914672 4.32804621 -7.62833551 -1.66583990 2.55032014 Mn 0.04909871 7.49741030 3.23221876 1.03639178 -4.30821972 1.48540209 Pd 1.54175931 9.08529462 3.67065330 88.10885159 -117.83604638 179.45672288 Mn 4.22210833 4.79835718 0.41079223 -2.74348746 -3.56987514 3.14291384 Mn 6.18451126 7.15746671 1.94991382 3.39762139 -0.49844625 1.37666969 Mn 8.00087517 6.97820460 -0.00371748 12.65697606 33.97095031 26.32642559 Pd 8.62697266 8.47564410 1.05396604 -14.32333059 -33.46367970 -24.45749999 Mn 7.62956332 5.09681703 2.41794142 -1.29369632 5.77824402 4.86852058 Mn 8.22296687 6.26249659 3.71704414 1.16847771 -3.13449007 -5.39198925 Mn 4.93496945 7.41484356 3.21770661 4.32884114 4.37669124 -6.29284481 Pd 6.44580027 8.46221967 4.44217287 287.54557825 -894.44318842 155.50015627 Pd 0.50577414 -0.29970818 5.08783221 -2.28892293 -3.27478778 -3.44090870 Al 1.65616663 1.00230709 6.18692544 8.54426342 -0.49859272 5.87653841 Al 3.15666883 3.13051473 4.75508178 -0.71287888 1.37755125 -2.09195459 Mn 3.66708737 4.18147956 6.63791758 47.12714708 -90.80815864 57.80435570 Pd 2.81476294 0.09837791 7.34029031 81.24107316 177.05069173 204.38861892 Al 3.28467876 1.04110608 8.48059085 -86.88842392 -173.90160557 -208.75646874 Al 0.38807836 2.25714618 7.78577178 -1.83580166 -1.36560801 -0.30453082 Pd 1.31125095 3.88323429 8.89022101 -1.74397320 -2.53900238 7.28261115 Mn 5.17042632 0.26077007 4.75525456 -215.89918492 103.88538376 -48.51032311 Pd 7.00749019 1.73375133 6.53732276 199.97960869 -89.10926386 -283.88161982 Pd 7.68157153 2.35628044 5.11336744 -203.96476220 -185.38870854 426.19110409 Mn 8.54309079 3.80357872 7.07927789 -172.85875493 303.55312409 61.21176192 Al 7.00065800 0.36797632 7.23776452 -0.02253459 276.35826723 -143.29835074 Pd 8.81925132 0.73405658 8.54299943 0.02275550 0.32341928 -0.06143422 Al 4.26984548 2.96332860 7.39075090 -44.36444613 92.10369841 -56.95742164 Al 6.63972657 3.65242900 8.72658390 -0.12273215 -0.77874161 -0.29873752 Mn 0.11430237 5.23900355 4.93244624 3.23056219 -3.03935277 -4.28840909 Al 1.49306265 6.05937161 7.18852175 577.37537241 -985.20513666 328.27488720 Al 2.13718472 8.25928640 4.89474944 -89.76165144 120.52540358 -178.10032682 Al 4.13434546 8.92261785 6.18028869 183.18004268 -208.39328510 366.93857593 Al 2.07968522 5.05823998 7.52118011 -580.08154635 994.44541583 -333.87809620 Pd 4.00003992 5.71982078 8.56585202 0.86165881 1.09758605 0.48172572 Pd 0.01555634 7.90680283 7.86787765 177.02657212 149.77077940 31.74775669 Mn 0.87629264 8.67178912 8.03155567 -171.21658411 -153.81714902 -33.12714248 Al 4.86271909 5.04435177 5.14197812 1.11214950 2.55597993 1.72253375 Mn 6.13849744 6.33770349 6.81037372 -3.26810842 4.06918222 1.61800272 Al 6.81087803 7.32747302 4.63818107 -291.90809357 895.35594165 -152.66300569 Al 8.80850116 8.76920591 5.40875504 -0.45751290 -0.56638589 -0.76491028 Pd 7.84849859 5.02941236 7.32014344 175.92338447 -308.19221471 -61.82638679 Mn 8.10425387 6.76749130 8.62242431 -2.92712427 2.52446281 -0.19362323 Al 4.72059472 8.25368421 7.36298254 -68.28868355 215.45042773 -218.78333857 Al 5.71516194 8.32876310 8.66061727 -113.45054593 -10.41699049 -149.76718714