{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.310272 0 ] [ 0 0.689728 0 ] [ 0.5 0.810272 0 ] [ 0.5 0.189728 0 ] [ 0.776286 0 0.593365 ] [ 0.223714 0 0.406635 ] [ 0.276286 0.5 0.593365 ] [ 0.723714 0.5 0.406635 ] [ 0.234839 0.157461 0.211544 ] [ 0.765161 0.157461 0.788456 ] [ 0.765161 0.842539 0.788456 ] [ 0.234839 0.842539 0.211544 ] [ 0 0 0.5 ] [ 0.394624 0 0.719638 ] [ 0.605376 0 0.280362 ] [ 0.734839 0.657461 0.211544 ] [ 0.265161 0.657461 0.788456 ] [ 0.265161 0.342539 0.788456 ] [ 0.734839 0.342539 0.211544 ] [ 0.5 0.5 0.5 ] [ 0.894624 0.5 0.719638 ] [ 0.105376 0.5 0.280362 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "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" 6.55774569122 "source-unit" "angstrom" } "b" { "source-value" 8.59105915645 "source-unit" "angstrom" } "c" { "source-value" 4.73692347031 "source-unit" "angstrom" } "beta" { "source-value" 102.875064127 "source-unit" "degree" } }