{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.83259 0.75 ] [ 0.5 0.16741 0.25 ] [ 0 0.33259 0.75 ] [ 0 0.66741 0.25 ] [ 0 0.937835 0.25 ] [ 0 0.062165 0.75 ] [ 0.5 0.437835 0.25 ] [ 0.5 0.562165 0.75 ] [ 0 0.179619 0.75 ] [ 0 0.820381 0.25 ] [ 0 0.055158 0.25 ] [ 0 0.944842 0.75 ] [ 0.5 0.679619 0.75 ] [ 0.5 0.320381 0.25 ] [ 0.5 0.555158 0.25 ] [ 0.5 0.444842 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "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" 3.6444372663 "source-unit" "angstrom" } "b" { "source-value" 16.2546374055 "source-unit" "angstrom" } "c" { "source-value" 3.97426336 "source-unit" "angstrom" } }