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NO. NON-PRIMITIVE TRANSLATION CARTESIAN ROTATION MATRIX RECIPROCAL-LATTICE-COOR. 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.142091259 .151371362 -.146437995 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.258455443 3.417835671 2 3.563544557 .000000000 3.417835671 3 3.563544557 3.258455443 .000000000 Reciprocal 1 -.140309737 .153446935 .146291410 2 .140309737 -.153446935 .146291410 3 .140309737 .153446935 -.146291410 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.240450000 3.419548872 2 3.581550000 .000000000 3.419548872 3 3.581550000 3.240450000 .000000000 Reciprocal 1 -.139604361 .154299557 .146218118 2 .139604361 -.154299557 .146218118 3 .139604361 .154299557 -.146218118 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.224171836 3.421263791 2 3.597828164 .000000000 3.421263791 3 3.597828164 3.224171836 .000000000 Reciprocal 1 -.138972729 .155078583 .146144826 2 .138972729 -.155078583 .146144826 3 .138972729 .155078583 -.146144826 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.195269418 3.424698795 2 3.626730582 .000000000 3.424698795 3 3.626730582 3.195269418 .000000000 Reciprocal 1 -.137865217 .156481327 .145998241 2 .137865217 -.156481327 .145998241 3 .137865217 .156481327 -.145998241 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.169805877 3.428140704 2 3.652194123 .000000000 3.428140704 3 3.652194123 3.169805877 .000000000 Reciprocal 1 -.136904004 .157738366 .145851656 2 .136904004 -.157738366 .145851656 3 .136904004 .157738366 -.145851656 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.115598735 3.436775819 2 3.706401265 .000000000 3.436775819 3 3.706401265 3.115598735 .000000000 Reciprocal 1 -.134901745 .160482797 .145485195 2 .134901745 -.160482797 .145485195 3 .134901745 .160482797 -.145485195 Secular equation size = 9 11.0000000000000000 electrons in the calculation Lattice type 1 Elastic strain field -2 1 atoms in the calculation Primitive 1 .000000000 3.069900000 3.445454545 2 3.752100000 .000000000 3.445454545 3 3.752100000 3.069900000 .000000000 Reciprocal 1 -.133258708 .162871755 .145118734 2 .133258708 -.162871755 .145118734 3 .133258708 .162871755 -.145118734 Secular equation size = 9 11.0000000000000000 electrons in the calculation