{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.017107 0.75 0.728592 ] [ 0.517107 0.25 0.771408 ] [ 0.982893 0.25 0.271408 ] [ 0.482893 0.75 0.228592 ] [ 0.596946 0.75 0.909041 ] [ 0.903054 0.75 0.409041 ] [ 0.403054 0.25 0.090959 ] [ 0.096946 0.25 0.590959 ] [ 0.756991 0.968421 0.334922 ] [ 0.243009 0.468421 0.665078 ] [ 0.743009 0.531579 0.834922 ] [ 0.753086 0.25 0.091513 ] [ 0.246914 0.75 0.908487 ] [ 0.746914 0.25 0.591513 ] [ 0.233257 0.25 0.439116 ] [ 0.253086 0.75 0.408487 ] [ 0.766743 0.75 0.560884 ] [ 0.266743 0.25 0.939116 ] [ 0.756991 0.531579 0.334922 ] [ 0.733257 0.75 0.060884 ] [ 0.743009 0.968421 0.834922 ] [ 0.243009 0.031579 0.665078 ] [ 0.256991 0.468421 0.165078 ] [ 0.256991 0.031579 0.165078 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "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" 6.42878192 "source-unit" "angstrom" } "b" { "source-value" 8.22964995 "source-unit" "angstrom" } "c" { "source-value" 13.87019455 "source-unit" "angstrom" } }