{ "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" [ [ 0.626254 0.75 0.843941 ] [ 0.373746 0.25 0.156059 ] [ 0.873746 0.75 0.343941 ] [ 0.126254 0.25 0.656059 ] [ 0.896343 0.75 0.955887 ] [ 0.364207 0.97139 0.151813 ] [ 0.135793 0.97139 0.651813 ] [ 0.603657 0.75 0.455887 ] [ 0.135793 0.52861 0.651813 ] [ 0.103657 0.25 0.044113 ] [ 0.364207 0.52861 0.151813 ] [ 0.635793 0.47139 0.848187 ] [ 0.864207 0.47139 0.348187 ] [ 0.635793 0.02861 0.848187 ] [ 0.864207 0.02861 0.348187 ] [ 0.396343 0.25 0.544113 ] ] } "species" { "source-value" [ "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69880465 "source-unit" "angstrom" } "b" { "source-value" 6.2720291 "source-unit" "angstrom" } "c" { "source-value" 9.20902728 "source-unit" "angstrom" } }