{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.387778 0 0 ] [ 0.612222 0.5 0.5 ] [ 0.125279 0 0.663703 ] [ 0.125279 0 0.336297 ] [ 0.874721 0.5 0.836297 ] [ 0.874721 0.5 0.163703 ] [ 0.632773 0.5 0 ] [ 0.367227 0 0.5 ] [ 0.911578 0 0.165118 ] [ 0.088422 0.5 0.665118 ] [ 0.088422 0.5 0.334882 ] [ 0.911578 0 0.834882 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "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" 3.65126982 "source-unit" "angstrom" } "b" { "source-value" 4.13628258 "source-unit" "angstrom" } "c" { "source-value" 10.08905464 "source-unit" "angstrom" } }