{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.861614 0.907187 ] [ 0.25 0.138386 0.092813 ] [ 0.75 0.361614 0.592813 ] [ 0.75 0.517935 0.180847 ] [ 0.75 0.017935 0.319153 ] [ 0.25 0.982065 0.680847 ] [ 0.25 0.638386 0.407187 ] [ 0.25 0.482065 0.819153 ] [ 0.25 0.728973 0.077112 ] [ 0.75 0.771027 0.577112 ] [ 0.75 0.271027 0.922888 ] [ 0.25 0.228973 0.422888 ] [ 0.002634 0.319252 0.346406 ] [ 0.25 0.994671 0.411641 ] [ 0.002634 0.819252 0.153594 ] [ 0.75 0.505329 0.911641 ] [ 0.25 0.313154 0.585113 ] [ 0.997366 0.180748 0.846406 ] [ 0.25 0.813154 0.914887 ] [ 0.75 0.005329 0.588359 ] [ 0.997366 0.680748 0.653594 ] [ 0.497366 0.319252 0.346406 ] [ 0.497366 0.819252 0.153594 ] [ 0.502634 0.180748 0.846406 ] [ 0.75 0.186846 0.085113 ] [ 0.502634 0.680748 0.653594 ] [ 0.25 0.494671 0.088359 ] [ 0.75 0.686846 0.414887 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66170434 "source-unit" "angstrom" } "b" { "source-value" 9.95103552 "source-unit" "angstrom" } "c" { "source-value" 13.53736914 "source-unit" "angstrom" } }