{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.791306 0.25 0.416928 ] [ 0.291306 0.75 0.083072 ] [ 0.208694 0.75 0.583072 ] [ 0.708694 0.25 0.916928 ] [ 0.655385 0.75 0.944798 ] [ 0.155385 0.25 0.555202 ] [ 0.344615 0.25 0.055202 ] [ 0.844615 0.75 0.444798 ] [ 0.460322 0.25 0.003337 ] [ 0.039678 0.25 0.503337 ] [ 0.539678 0.75 0.996663 ] [ 0.960322 0.75 0.496663 ] [ 0.714764 0.415377 0.533755 ] [ 0.465968 0.75 0.667673 ] [ 0.082711 0.585152 0.684424 ] [ 0.034032 0.75 0.167673 ] [ 0.313971 0.25 0.62593 ] [ 0.965968 0.25 0.832327 ] [ 0.813971 0.75 0.87407 ] [ 0.082711 0.914848 0.684424 ] [ 0.285236 0.584623 0.466245 ] [ 0.214764 0.915377 0.966245 ] [ 0.917289 0.085152 0.315576 ] [ 0.214764 0.584623 0.966245 ] [ 0.534032 0.25 0.332327 ] [ 0.714764 0.084623 0.533755 ] [ 0.917289 0.414848 0.315576 ] [ 0.686029 0.75 0.37407 ] [ 0.285236 0.915377 0.466245 ] [ 0.186029 0.25 0.12593 ] [ 0.582711 0.414848 0.815576 ] [ 0.417289 0.914848 0.184424 ] [ 0.582711 0.085152 0.815576 ] [ 0.785236 0.415377 0.033755 ] [ 0.785236 0.084623 0.033755 ] [ 0.417289 0.585152 0.184424 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "C" "C" "C" "C" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.08289581 "source-unit" "angstrom" } "b" { "source-value" 10.12700901 "source-unit" "angstrom" } "c" { "source-value" 13.40851037 "source-unit" "angstrom" } }