{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.578572 0.643254 ] [ 0.25 0.078572 0.856746 ] [ 0.75 0.421428 0.356746 ] [ 0.75 0.921428 0.143254 ] [ 0.75 0.575778 0.901819 ] [ 0.25 0.924222 0.401819 ] [ 0.75 0.075778 0.598181 ] [ 0.25 0.424222 0.098181 ] [ 0.75 0.836333 0.754355 ] [ 0.25 0.663667 0.254355 ] [ 0.75 0.758984 0.493012 ] [ 0.25 0.163667 0.245645 ] [ 0.75 0.336333 0.745645 ] [ 0.25 0.241016 0.506988 ] [ 0.25 0.741016 0.993012 ] [ 0.75 0.258984 0.006988 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "V" "V" "V" "V" "N" "N" "N" "N" "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" 3.15698853 "source-unit" "angstrom" } "b" { "source-value" 5.44671367 "source-unit" "angstrom" } "c" { "source-value" 10.68841738 "source-unit" "angstrom" } }