{ "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 0.014885 0.738589 ] [ 0.25 0.514885 0.761411 ] [ 0.75 0.985115 0.261411 ] [ 0.75 0.485115 0.238589 ] [ 0.25 0.687134 0.557274 ] [ 0.75 0.312866 0.442726 ] [ 0.75 0.812866 0.057274 ] [ 0.25 0.187134 0.942726 ] [ 0.25 0.178938 0.482634 ] [ 0.25 0.212153 0.769967 ] [ 0.75 0.787847 0.230033 ] [ 0.75 0.821062 0.517366 ] [ 0.25 0.712153 0.730033 ] [ 0.75 0.287847 0.269967 ] [ 0.25 0.039703 0.148276 ] [ 0.75 0.321062 0.982634 ] [ 0.25 0.539703 0.351724 ] [ 0.25 0.678938 0.017366 ] [ 0.75 0.460297 0.648276 ] [ 0.75 0.960297 0.851724 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.80835542 "source-unit" "angstrom" } "b" { "source-value" 12.82302905 "source-unit" "angstrom" } "c" { "source-value" 15.05569916 "source-unit" "angstrom" } }