{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.250818 0.084657 0.126566 ] [ 0.750818 0.915343 0.373434 ] [ 0.249182 0.584657 0.373434 ] [ 0.749182 0.415343 0.126566 ] [ 0.250818 0.584657 0.873434 ] [ 0.750818 0.415343 0.626566 ] [ 0.249182 0.084657 0.626566 ] [ 0.749182 0.915343 0.873434 ] [ 0.5 0.75 0.134934 ] [ 0 0.25 0.365066 ] [ 0.5 0.25 0.865066 ] [ 0 0.75 0.634934 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34744502 "source-unit" "angstrom" } "b" { "source-value" 4.74632452 "source-unit" "angstrom" } "c" { "source-value" 5.46839952 "source-unit" "angstrom" } }