32 Lattice="11.332149505615234 0.0 0.0 0.0 11.332149505615234 0.0 0.0 0.0 11.332149505615234" Properties=species:S:1:pos:R:3:forces:R:3 energy=-231.39556612946075 stress="-551.0972892572386 61.932436661270685 -65.249486616708 61.932436661270685 -529.5046462645219 23.66540270373241 -65.249486616708 23.66540270373241 -583.931311579566" pbc="F F F" Th 0.07080539 0.18199813 0.23385580 -8.68214493 -15.75235850 -12.08697710 Th 2.69619988 2.83872453 0.16458466 12.41830860 -9.24265134 -16.29778039 Th 2.76229387 0.08941092 3.02883093 22.77649094 -13.90153886 -31.55543095 Th -0.08523223 2.63008310 2.97818960 -7.73166143 25.14661360 4.49598698 Th 5.79174322 0.05849726 0.02725113 -6.05530108 0.86128042 -0.86486858 Th 8.43028217 3.03135949 0.14188269 22.65282664 -22.06240754 -0.29320942 Th 8.30162259 -0.13826943 2.98454533 4.75847226 -0.84622655 -3.20997753 Th 5.45785257 3.05623965 2.91176114 18.65343330 -15.31904598 -9.64666228 Th 0.23600578 5.74678035 0.02698422 -34.78278810 -7.19878606 -22.66357159 Th 2.76875737 8.40720867 0.03398784 14.27243731 11.98614874 -13.55999196 Th 2.63877705 5.53696146 2.59358427 18.47039019 10.31319457 38.95514359 Th 0.14771966 8.65837390 2.70679670 -8.94239233 2.84559277 7.11509023 Th 5.86595077 5.45453908 0.08464358 -39.19705434 16.60254209 -19.84144208 Th 8.31252606 8.31348609 -0.08548529 7.02643499 19.06526848 -18.51545139 Th 8.39982739 5.99497703 2.66898323 16.47013001 -22.19951597 25.96911271 Th 5.54966461 8.44644191 2.65078637 -3.64786470 5.64066758 6.98820449 Th 0.18053128 -0.12106211 5.43270554 -23.27997963 -11.46733782 24.36343670 Th 3.01747728 2.69673725 5.61031322 -33.06636477 28.31126650 12.00510198 Th 2.64807192 0.15333700 8.40564764 13.81536348 -14.91947716 8.03043714 Th 0.01926818 2.68490911 8.49371026 -11.49172599 11.35076442 -1.95824510 Th 5.50791330 0.14392479 5.59442447 20.08027071 -17.46200980 11.06885591 Th 8.61721154 2.73100583 5.59852991 -1.15300736 11.25830334 -7.31739404 Th 8.67791117 0.33295343 8.46394502 -2.09950630 -5.27275323 6.16424218 Th 5.51659874 3.07591755 8.59859473 6.82276165 -13.43284642 11.22706446 Th 0.14001614 5.91427621 5.79679801 -22.34693226 -18.74589304 -18.96199558 Th 2.89928892 8.28914655 5.46526153 9.95667785 12.94813488 1.38376702 Th 2.70143034 5.63721515 8.35535617 6.95699706 1.24147747 16.03337534 Th -0.12404017 8.59539134 8.42973856 1.05134141 5.64983397 4.68738169 Th 5.63091412 5.42100087 5.76595208 3.76332991 21.34846255 -9.24356891 Th 8.38383174 8.38257118 5.58860829 -2.01954563 12.34084481 -0.94289660 Th 8.54770665 5.80133300 8.27813192 2.10750559 -6.65609670 10.04032587 Th 5.31946714 8.71201837 8.61928603 2.44309695 -2.43145123 -1.56806277