{ "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 0 0.133059 ] [ 0 0 0.866941 ] [ 0 0.5 0 ] [ 0.5 0.5 0.633059 ] [ 0.5 0.5 0.366941 ] [ 0.5 0 0.5 ] [ 0.5 0.68334 0.832364 ] [ 0.5 0.31666 0.167636 ] [ 0.5 0.68334 0.167636 ] [ 0.5 0.31666 0.832364 ] [ 0 0.18334 0.332364 ] [ 0 0.81666 0.667636 ] [ 0 0.18334 0.667636 ] [ 0 0.81666 0.332364 ] [ 0 0.5 0.216527 ] [ 0 0.5 0.783473 ] [ 0.5 0.202366 0 ] [ 0.5 0.797634 0 ] [ 0.5 0 0.716527 ] [ 0.5 0 0.283473 ] [ 0 0.702366 0.5 ] [ 0 0.297634 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62554231861 "source-unit" "angstrom" } "b" { "source-value" 6.97087566432 "source-unit" "angstrom" } "c" { "source-value" 14.9701090466 "source-unit" "angstrom" } }