{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.275674 0.80363 ] [ 0.5 0.775674 0.69637 ] [ 0 0.724326 0.19637 ] [ 0.5 0.224326 0.30363 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.859935 0.411708 ] [ 0.5 0.359935 0.088292 ] [ 0 0.140065 0.588292 ] [ 0.5 0.640065 0.911708 ] [ 0.5 0.240221 0.928906 ] [ 0.5 0.759779 0.071094 ] [ 0 0.228491 0.172658 ] [ 0 0.259779 0.428906 ] [ 0.5 0.728491 0.327342 ] [ 0 0.771509 0.827342 ] [ 0 0.740221 0.571094 ] [ 0.5 0.271509 0.672658 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46104598 "source-unit" "angstrom" } "b" { "source-value" 6.87577369 "source-unit" "angstrom" } "c" { "source-value" 16.77995727 "source-unit" "angstrom" } }