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false 1 0.000000000000000E+00 false false false false 1.201100000000000E+01 C.upf 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.685163271635031E+00 1.685163271635031E+00 1.685163271635031E+00 0.000000000000000E+00 3.370326543270061E+00 3.370326543270061E+00 3.370326543270061E+00 0.000000000000000E+00 3.370326543270061E+00 3.370326543270061E+00 3.370326543270061E+00 0.000000000000000E+00 48 48 0 crystal_symmetry 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.499999999999998E-01 2 1 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.499999999999998E-01 -2.500000000000001E-01 2 1 crystal_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -2.499999999999998E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.500000000000001E-01 -2.499999999999998E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.499999999999998E-01 2 1 crystal_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -2.499999999999998E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.499999999999998E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.499999999999998E-01 2 1 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.499999999999998E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 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0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1 2 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.499999999999998E-01 -2.500000000000001E-01 2 1 crystal_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.499999999999998E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.499999999999998E-01 2 1 crystal_symmetry 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -2.499999999999998E-01 -2.500000000000001E-01 -2.500000000000001E-01 2 1 crystal_symmetry -1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 -2.500000000000001E-01 -2.500000000000001E-01 -2.499999999999998E-01 2 1 crystal_symmetry 0.000000000000000E+00 -1.000000000000000E+00 0.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 1.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 -1.000000000000000E+00 -2.500000000000001E-01 -2.499999999999998E-01 -2.500000000000001E-01 2 1 false 3.000000000000000E+01 1.200000000000000E+02 4909 4909 620 -7.071067811865471E-01 7.071067811865471E-01 7.071067811865471E-01 7.071067811865471E-01 -7.071067811865471E-01 7.071067811865471E-01 7.071067811865471E-01 7.071067811865471E-01 -7.071067811865471E-01 PBE false false false 0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 9.655351391428754E-01 -4.769238325300109E+00 -4.338923660381713E+00 0.000000000000000E+00 false false false 4 8.000000000000000E+00 8 true 4.911419598520048E-01 4.911419598520048E-01 216 0.000000000000000E+00 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