{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.278076 0.223123 0.789512 ] [ 0.721924 0.776877 0.210488 ] [ 0.278076 0.276877 0.289512 ] [ 0.721924 0.723123 0.710488 ] [ 0.763171 0.176984 0.581543 ] [ 0.763171 0.323016 0.081543 ] [ 0.236829 0.823016 0.418457 ] [ 0.236829 0.676984 0.918457 ] [ 0.56384 0.304829 0.627721 ] [ 0.56384 0.195171 0.127721 ] [ 0.005032 0.222093 0.088029 ] [ 0.994968 0.777907 0.911971 ] [ 0.43616 0.695171 0.372279 ] [ 0.790078 0.027196 0.694404 ] [ 0.2974 0.888875 0.567017 ] [ 0.790078 0.472804 0.194404 ] [ 0.005032 0.277907 0.588029 ] [ 0.209922 0.527196 0.805596 ] [ 0.2974 0.611125 0.067017 ] [ 0.7026 0.388875 0.932983 ] [ 0.7026 0.111125 0.432983 ] [ 0.994968 0.722093 0.411971 ] [ 0.209922 0.972804 0.305596 ] [ 0.43616 0.804829 0.872279 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41907930091 "source-unit" "angstrom" } "b" { "source-value" 7.34315083 "source-unit" "angstrom" } "c" { "source-value" 9.13753575867 "source-unit" "angstrom" } "beta" { "source-value" 93.1762580942 "source-unit" "degree" } }