{ "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" [ [ 0.828029 0.001003 0.410979 ] [ 0.328029 0.998997 0.089021 ] [ 0.171971 0.501003 0.589021 ] [ 0.328029 0.501003 0.089021 ] [ 0.171971 0.998997 0.589021 ] [ 0.828029 0.498997 0.410979 ] [ 0.671971 0.001003 0.910979 ] [ 0.671971 0.498997 0.910979 ] [ 0.672282 0.75 0.663742 ] [ 0.172282 0.25 0.836258 ] [ 0.827718 0.75 0.163742 ] [ 0.327718 0.25 0.336258 ] [ 0.666906 0.25 0.65707 ] [ 0.166906 0.75 0.84293 ] [ 0.833094 0.25 0.15707 ] [ 0.333094 0.75 0.34293 ] [ 0.789962 0.046927 0.588257 ] [ 0.710038 0.453073 0.088257 ] [ 0.150419 0.25 0.146296 ] [ 0.743917 0.25 0.805419 ] [ 0.210038 0.546927 0.411743 ] [ 0.289962 0.953073 0.911743 ] [ 0.243917 0.75 0.694581 ] [ 0.849581 0.75 0.853704 ] [ 0.789962 0.453073 0.588257 ] [ 0.256083 0.75 0.194581 ] [ 0.349581 0.25 0.646296 ] [ 0.210038 0.953073 0.411743 ] [ 0.756083 0.25 0.305419 ] [ 0.289962 0.546927 0.911743 ] [ 0.710038 0.046927 0.088257 ] [ 0.650419 0.75 0.353704 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cd" "Cd" "Cd" "Cd" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.2001582 "source-unit" "angstrom" } "b" { "source-value" 6.53565085 "source-unit" "angstrom" } "c" { "source-value" 10.9182778 "source-unit" "angstrom" } }