150 alpha-Pu & mP16 & P2_1/m -- C_{2h}^2 (#11) & H used to denote unit cell bounda H 0.00000000 0.00000000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 3.94485590 0.00000000 10.73210510 H 3.94485590 0.00000000 10.73210510 H 0.00000000 0.00000000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 0.00000000 0.00000000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 3.94485590 0.00000000 10.73210510 H 3.94485590 4.82200000 10.73210510 Pu 1.77055560 1.20550000 1.73860100 Pu 4.36635280 1.20550000 1.80299370 Pu 0.03045500 1.20550000 3.64891570 Pu 3.03939910 1.20550000 4.90457200 Pu 1.46305090 1.20550000 7.00806460 Pu 3.37212610 1.20550000 9.59450200 H 3.94485590 0.00000000 10.73210510 H 3.94485590 4.82200000 10.73210510 H 0.00000000 4.82200000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 0.00000000 4.82200000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 3.94485590 4.82200000 10.73210510 H 3.94485590 9.64400000 10.73210510 Pu 1.77055560 6.02750000 1.73860100 Pu 4.36635280 6.02750000 1.80299370 Pu 0.03045500 6.02750000 3.64891570 Pu 3.03939910 6.02750000 4.90457200 Pu 1.46305090 6.02750000 7.00806460 Pu 3.37212610 6.02750000 9.59450200 H 3.94485590 4.82200000 10.73210510 H 3.94485590 9.64400000 10.73210510 H 0.00000000 9.64400000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 0.00000000 9.64400000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 3.94485590 9.64400000 10.73210510 H 3.94485590 9.64400000 10.73210510 H 6.18300000 0.00000000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 3.94485590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 3.94485590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 6.18300000 0.00000000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 6.18300000 0.00000000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 3.94485590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 3.94485590 4.82200000 10.73210510 H 10.12785590 4.82200000 10.73210510 Pu 7.95355560 1.20550000 1.73860100 Pu 6.21345500 1.20550000 3.64891570 Pu 9.22239910 1.20550000 4.90457200 Pu 4.95440190 1.20550000 6.63244090 Pu 7.64605090 1.20550000 7.00806460 Pu 6.13850250 1.20550000 9.93792930 Pu 9.55512610 1.20550000 9.59450200 H 3.94485590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 3.94485590 4.82200000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 6.18300000 4.82200000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 6.18300000 4.82200000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 3.94485590 4.82200000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 3.94485590 9.64400000 10.73210510 H 10.12785590 9.64400000 10.73210510 Pu 7.95355560 6.02750000 1.73860100 Pu 6.21345500 6.02750000 3.64891570 Pu 9.22239910 6.02750000 4.90457200 Pu 4.95440190 6.02750000 6.63244090 Pu 7.64605090 6.02750000 7.00806460 Pu 6.13850250 6.02750000 9.93792930 Pu 9.55512610 6.02750000 9.59450200 H 3.94485590 4.82200000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 3.94485590 9.64400000 10.73210510 H 10.12785590 9.64400000 10.73210510 Pu 2.17430030 3.61650000 8.99350410 Pu 3.91440090 3.61650000 7.08318940 Pu 0.90545680 3.61650000 5.82753310 Pu 5.17345400 3.61650000 4.09966420 Pu 2.48180500 3.61650000 3.72404050 Pu 3.98935340 3.61650000 0.79417580 Pu 0.57272980 3.61650000 1.13760310 H 6.18300000 9.64400000 0.00000000 H 6.18300000 9.64400000 0.00000000 H 3.94485590 9.64400000 10.73210510 H 10.12785590 9.64400000 10.73210510 H 3.94485590 9.64400000 10.73210510 H 10.12785590 9.64400000 10.73210510 Pu 2.17430030 8.43850000 8.99350410 Pu 3.91440090 8.43850000 7.08318940 Pu 0.90545680 8.43850000 5.82753310 Pu 5.17345400 8.43850000 4.09966420 Pu 2.48180500 8.43850000 3.72404050 Pu 3.98935340 8.43850000 0.79417580 Pu 0.57272980 8.43850000 1.13760310 H 10.12785590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 10.12785590 0.00000000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 10.12785590 9.64400000 10.73210510 H 10.12785590 4.82200000 10.73210510 H 10.12785590 9.64400000 10.73210510 Pu 8.35730030 3.61650000 8.99350410 Pu 5.76150310 3.61650000 8.92911140 Pu 10.09740090 3.61650000 7.08318940 Pu 7.08845680 3.61650000 5.82753310 Pu 8.66480500 3.61650000 3.72404050 Pu 10.17235340 3.61650000 0.79417580 Pu 6.75572980 3.61650000 1.13760310 H 10.12785590 9.64400000 10.73210510 H 10.12785590 9.64400000 10.73210510 Pu 8.35730030 8.43850000 8.99350410 Pu 5.76150310 8.43850000 8.92911140 Pu 10.09740090 8.43850000 7.08318940 Pu 7.08845680 8.43850000 5.82753310 Pu 8.66480500 8.43850000 3.72404050 Pu 10.17235340 8.43850000 0.79417580 Pu 6.75572980 8.43850000 1.13760310 **************************************** Primitive vectors a(1) = 6.18300000 0.00000000 0.00000000 a(2) = 0.00000000 4.82200000 0.00000000 a(3) = -2.23814410 0.00000000 10.73210510 Volume = 319.97155333 Reciprocal vectors b(1) = 0.16173379 0.00000000 0.03372903 b(2) = 0.00000000 0.20738283 0.00000000 b(3) = 0.00000000 0.00000000 0.09317836 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates H 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 H 1.00000000 0.00000000 0.00000000 6.18300000 0.00000000 0.00000000 H 0.00000000 1.00000000 0.00000000 0.00000000 4.82200000 0.00000000 H 1.00000000 1.00000000 0.00000000 6.18300000 4.82200000 0.00000000 H 0.00000000 0.00000000 1.00000000 -2.23814410 0.00000000 10.73210510 H 1.00000000 0.00000000 1.00000000 3.94485590 0.00000000 10.73210510 H 0.00000000 1.00000000 1.00000000 -2.23814410 4.82200000 10.73210510 H 1.00000000 1.00000000 1.00000000 3.94485590 4.82200000 10.73210510 Pu 0.34499999 0.25000000 0.16200000 1.77055560 1.20550000 1.73860100 Pu -0.34499999 -0.25000000 -0.16200000 -1.77055560 -1.20550000 -1.73860100 Pu 0.76700000 0.25000000 0.16800000 4.36635280 1.20550000 1.80299370 Pu -0.76700000 -0.25000000 -0.16800000 -4.36635280 -1.20550000 -1.80299370 Pu 0.12800000 0.25000000 0.34000000 0.03045500 1.20550000 3.64891570 Pu -0.12800000 -0.25000000 -0.34000000 -0.03045500 -1.20550000 -3.64891570 Pu 0.65699999 0.25000000 0.45700000 3.03939910 1.20550000 4.90457200 Pu -0.65699999 -0.25000000 -0.45700000 -3.03939910 -1.20550000 -4.90457200 Pu 0.02499999 0.25000000 0.61800000 -1.22859810 1.20550000 6.63244090 Pu -0.02499999 -0.25000000 -0.61800000 1.22859810 -1.20550000 -6.63244090 Pu 0.47300000 0.25000000 0.65300000 1.46305090 1.20550000 7.00806460 Pu -0.47300000 -0.25000000 -0.65300000 -1.46305090 -1.20550000 -7.00806460 Pu 0.32799999 0.25000000 0.92600000 -0.04449750 1.20550000 9.93792930 Pu -0.32799999 -0.25000000 -0.92600000 0.04449750 -1.20550000 -9.93792930 Pu 0.86899999 0.25000000 0.89400000 3.37212610 1.20550000 9.59450200 Pu -0.86899999 -0.25000000 -0.89400000 -3.37212610 -1.20550000 -9.59450200