{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.028184 0.142906 0.25 ] [ 0.528184 0.357094 0.75 ] [ 0.471816 0.642906 0.25 ] [ 0.971816 0.857094 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.038447 0.714022 0.25 ] [ 0.461553 0.214022 0.25 ] [ 0.538447 0.785978 0.75 ] [ 0.961553 0.285978 0.75 ] [ 0.868656 0.196286 0.579868 ] [ 0.131344 0.803714 0.420132 ] [ 0.131344 0.803714 0.079868 ] [ 0.87852 0.524022 0.25 ] [ 0.37852 0.975978 0.75 ] [ 0.62148 0.024022 0.25 ] [ 0.631344 0.696286 0.920132 ] [ 0.631344 0.696286 0.579868 ] [ 0.12148 0.475978 0.75 ] [ 0.368656 0.303714 0.420132 ] [ 0.368656 0.303714 0.079868 ] [ 0.868656 0.196286 0.920132 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11388587 "source-unit" "angstrom" } "b" { "source-value" 7.58931319 "source-unit" "angstrom" } "c" { "source-value" 9.17207461 "source-unit" "angstrom" } }