{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.11216 0.039247 0.25 ] [ 0.11216 0.460753 0.75 ] [ 0.88784 0.539247 0.25 ] [ 0.88784 0.960753 0.75 ] [ 0.610089 0.25 0 ] [ 0.389911 0.75 0.5 ] [ 0.389911 0.75 0 ] [ 0.610089 0.25 0.5 ] [ 0.113659 0.25 0 ] [ 0.886341 0.75 0.5 ] [ 0.886341 0.75 0 ] [ 0.113659 0.25 0.5 ] [ 0.402001 0.428873 0.25 ] [ 0.402001 0.071127 0.75 ] [ 0.597999 0.928873 0.25 ] [ 0.597999 0.571127 0.75 ] [ 0.046654 0.770408 0.114976 ] [ 0.046654 0.729592 0.885024 ] [ 0.953346 0.270408 0.385024 ] [ 0.953346 0.229592 0.614976 ] [ 0.953346 0.229592 0.885024 ] [ 0.953346 0.270408 0.114976 ] [ 0.046654 0.729592 0.614976 ] [ 0.046654 0.770408 0.385024 ] [ 0.267618 0.078103 0.035896 ] [ 0.267618 0.421897 0.964104 ] [ 0.732382 0.578103 0.464104 ] [ 0.732382 0.921897 0.535896 ] [ 0.732382 0.921897 0.964104 ] [ 0.732382 0.578103 0.035896 ] [ 0.267618 0.421897 0.535896 ] [ 0.267618 0.078103 0.464104 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "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" 6.41112892 "source-unit" "angstrom" } "b" { "source-value" 7.29058401 "source-unit" "angstrom" } "c" { "source-value" 11.31500415 "source-unit" "angstrom" } }