{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.175762 0.190566 ] [ 0.75 0.824238 0.809434 ] [ 0.25 0.324238 0.690566 ] [ 0.75 0.675762 0.309434 ] [ 0.75 0.32454 0.94687 ] [ 0.25 0.82454 0.55313 ] [ 0.75 0.17546 0.44687 ] [ 0.25 0.67546 0.05313 ] [ 0.25 0.924793 0.388821 ] [ 0.75 0.075207 0.611179 ] [ 0.47683 0.801467 0.064876 ] [ 0.25 0.537111 0.197523 ] [ 0.75 0.424793 0.111179 ] [ 0.02317 0.801467 0.064876 ] [ 0.25 0.575207 0.888821 ] [ 0.97683 0.301467 0.435124 ] [ 0.97683 0.198533 0.935124 ] [ 0.75 0.037111 0.302477 ] [ 0.02317 0.698533 0.564876 ] [ 0.75 0.462889 0.802477 ] [ 0.52317 0.198533 0.935124 ] [ 0.25 0.962889 0.697523 ] [ 0.47683 0.698533 0.564876 ] [ 0.52317 0.301467 0.435124 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 5.39580243 "source-unit" "angstrom" } "b" { "source-value" 6.88518963 "source-unit" "angstrom" } "c" { "source-value" 7.90395762 "source-unit" "angstrom" } }