32 Lattice="79.32504653930664 0.0 0.0 0.0 79.32504653930664 0.0 0.0 0.0 79.32504653930664" Properties=species:S:1:pos:R:3:forces:R:3 energy=-231.39556612946117 stress="-0.0011040716748199906 0.00012407582182530745 -0.0001307212199630853 0.00012407582182530745 -0.0010608128419832524 4.7411412300024285e-05 -0.0001307212199630853 4.7411412300024285e-05 -0.0011698515556561892" pbc="F F F" Th 39.73332866 39.84452140 39.89637907 -8.68214493 -15.75235850 -12.08697710 Th 42.35872315 42.50124780 39.82710793 12.41830860 -9.24265134 -16.29778039 Th 42.42481714 39.75193419 42.69135420 22.77649094 -13.90153886 -31.55543095 Th 39.57729104 42.29260637 42.64071287 -7.73166143 25.14661360 4.49598698 Th 45.45426649 39.72102053 39.68977440 -6.05530108 0.86128042 -0.86486858 Th 48.09280544 42.69388276 39.80440596 22.65282664 -22.06240754 -0.29320942 Th 47.96414586 39.52425384 42.64706860 4.75847226 -0.84622655 -3.20997753 Th 45.12037584 42.71876292 42.57428441 18.65343330 -15.31904598 -9.64666228 Th 39.89852905 45.40930362 39.68950749 -34.78278810 -7.19878606 -22.66357159 Th 42.43128064 48.06973194 39.69651111 14.27243731 11.98614874 -13.55999196 Th 42.30130032 45.19948473 42.25610754 18.47039019 10.31319457 38.95514359 Th 39.81024293 48.32089717 42.36931997 -8.94239233 2.84559277 7.11509023 Th 45.52847404 45.11706235 39.74716685 -39.19705434 16.60254209 -19.84144208 Th 47.97504933 47.97600936 39.57703798 7.02643499 19.06526848 -18.51545139 Th 48.06235065 45.65750030 42.33150650 16.47013001 -22.19951597 25.96911271 Th 45.21218788 48.10896518 42.31330964 -3.64786470 5.64066758 6.98820449 Th 39.84305455 39.54146116 45.09522881 -23.27997963 -11.46733782 24.36343670 Th 42.68000055 42.35926052 45.27283649 -33.06636477 28.31126650 12.00510198 Th 42.31059518 39.81586027 48.06817091 13.81536348 -14.91947716 8.03043714 Th 39.68179145 42.34743238 48.15623353 -11.49172599 11.35076442 -1.95824510 Th 45.17043657 39.80644805 45.25694774 20.08027071 -17.46200980 11.06885591 Th 48.27973481 42.39352910 45.26105318 -1.15300736 11.25830334 -7.31739404 Th 48.34043444 39.99547670 48.12646829 -2.09950630 -5.27275323 6.16424218 Th 45.17912201 42.73844082 48.26111800 6.82276165 -13.43284642 11.22706446 Th 39.80253941 45.57679948 45.45932128 -22.34693226 -18.74589304 -18.96199558 Th 42.56181219 47.95166982 45.12778480 9.95667785 12.94813488 1.38376702 Th 42.36395361 45.29973842 48.01787943 6.95699706 1.24147747 16.03337534 Th 39.53848310 48.25791461 48.09226183 1.05134141 5.64983397 4.68738169 Th 45.29343739 45.08352414 45.42847535 3.76332991 21.34846255 -9.24356891 Th 48.04635500 48.04509445 45.25113156 -2.01954563 12.34084481 -0.94289660 Th 48.21022992 45.46385627 47.94065519 2.10750559 -6.65609670 10.04032587 Th 44.98199041 48.37454164 48.28180930 2.44309695 -2.43145123 -1.56806277