{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.830251 ] [ 0.5 0.5 0.169749 ] [ 0 0.712571 0 ] [ 0 0.287429 0 ] [ 0 0 0.330251 ] [ 0 0 0.669749 ] [ 0.5 0.212571 0.5 ] [ 0.5 0.787429 0.5 ] [ 0.5 0.5 0.959916 ] [ 0.5 0.5 0.040084 ] [ 0 0 0.459916 ] [ 0 0 0.540084 ] [ 0 0.229728 0.167188 ] [ 0 0.229728 0.832812 ] [ 0 0.770272 0.832812 ] [ 0 0.770272 0.167188 ] [ 0.5 0 0 ] [ 0.5 0.729728 0.667188 ] [ 0.5 0.729728 0.332812 ] [ 0.5 0.270272 0.332812 ] [ 0.5 0.270272 0.667188 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "C" "C" "C" "C" "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" 3.9238383636 "source-unit" "angstrom" } "b" { "source-value" 7.90831609035 "source-unit" "angstrom" } "c" { "source-value" 17.5932961858 "source-unit" "angstrom" } }