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=506.5086254394506 stress="-7.075309112669465 0.03816837734906305 -0.1456365398546704 0.03816837734906305 -6.782598469858746 0.13508020414428173 -0.1456365398546704 0.13508020414428173 -7.2831662948495675" free_energy=506.5086254394506 pbc="F F F" Sm 0.13918523 0.15050642 0.00239915 -33.12850809 -34.81932614 -46.96974889 Sm 1.54278917 1.73520322 0.24421963 -11.96721473 13.63401376 -107.67124055 Sm 1.59176916 0.06487656 1.51477119 -14.29637972 -110.66813093 -69.52016905 Sm 0.29553441 1.34125301 1.50601457 -104.08576910 43.94138267 -36.70785898 Al 2.70763472 0.12771106 0.02805905 18.80881648 -23.31295628 -32.52570109 Al 4.28502229 1.72045516 0.04683757 20.88119042 -5.67766878 -20.13872912 Al 4.54263272 0.18292312 1.29212069 18.69412134 -14.44861841 -4.94792188 Sm 2.74043896 1.62417424 1.51635763 89.48422808 18.29377888 -29.31761845 Al 0.04797327 3.11659092 0.25900491 -25.64963843 10.82758134 -21.51566821 Al 1.34186116 4.75685297 0.12784938 -2.16511583 14.37469034 -17.66038859 Al 1.43372255 2.98887480 1.73666665 -33.25508931 62.02143295 -33.01287270 Al 0.01942903 4.79417082 1.61821270 -16.39377677 15.30764861 1.14140644 Al 2.91562308 2.95887194 0.03691384 10.58912232 18.42972426 -37.35735166 Al 4.20677130 4.57736569 0.22577322 22.99514850 12.12430560 -25.04223130 Sm 4.64977756 3.09364432 1.77354104 45.87022345 -29.05799306 -35.72121164 Al 2.94212604 4.57675992 1.20377231 -9.74510095 29.16622459 2.43662297 Sm 0.29497883 0.29119256 2.80691229 -88.65476641 -76.07497387 55.88205843 Al 1.66188986 1.44564997 2.74841186 -23.34281167 11.20746265 76.39795772 Sm 1.49214527 0.00795817 4.26680101 -6.20077626 -47.62046404 62.86237780 Al 0.19215061 1.66717744 4.64995810 -34.24924099 -15.07694511 29.26422083 Sm 2.75491735 0.16523617 2.67168712 83.48854418 -91.76183213 35.80080146 Al 4.37846166 1.35733739 3.18360837 54.66572799 11.56364359 -33.88562623 Sm 4.62919136 0.14592855 4.32706660 48.42140484 -52.32400416 31.08979615 Sm 3.20359985 1.25068542 4.22822113 -20.40711362 21.67097314 73.89113824 Al 0.15154029 2.58570290 3.09971497 -52.51882526 21.85954245 9.08636952 Al 1.57473240 4.26010779 2.95221418 -12.13139647 47.64189244 12.53021941 Sm 1.55926218 2.72754451 4.73715536 16.08076570 16.52411655 46.99555611 Sm 0.02704010 4.28209294 4.48656723 -22.23627370 22.85019817 15.76212582 Al 2.98688953 3.20470050 2.77493780 27.08976166 23.68230355 24.88916947 Sm 4.62749873 4.49397598 2.85183389 26.28392476 65.95499544 12.25942399 Sm 4.66162860 3.21338862 4.36129912 27.48988500 -5.76524430 38.30698513 Sm 2.98328568 4.75219415 4.62370952 -0.41506740 25.53224625 23.39810885