{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.684086 0.684086 0.315914 ] [ 0.315914 0.684086 0.684086 ] [ 0.815914 0.815914 0.184086 ] [ 0.184086 0.815914 0.815914 ] [ 0.815914 0.184086 0.815914 ] [ 0.315914 0.315914 0.315914 ] [ 0.815914 0.815914 0.815914 ] [ 0.315914 0.684086 0.315914 ] [ 0.315914 0.315914 0.684086 ] [ 0.684086 0.315914 0.315914 ] [ 0.184086 0.184086 0.815914 ] [ 0.815914 0.184086 0.184086 ] [ 0.184086 0.815914 0.184086 ] [ 0.684086 0.684086 0.684086 ] [ 0 0.307811 0.117251 ] [ 0.5 0.382749 0.807811 ] [ 0.5 0.617251 0.192189 ] [ 0.617251 0.807811 0.5 ] [ 0.382749 0.807811 0.5 ] [ 0.192189 0.5 0.617251 ] [ 0.807811 0.5 0.617251 ] [ 0.117251 0 0.307811 ] [ 0.307811 0.117251 0 ] [ 0.692189 0.882749 0 ] [ 0.117251 0 0.692189 ] [ 0.692189 0.117251 0 ] [ 0.882749 0 0.307811 ] [ 0.882749 0 0.692189 ] [ 0.307811 0.882749 0 ] [ 0 0.692189 0.882749 ] [ 0 0.307811 0.882749 ] [ 0 0.692189 0.117251 ] [ 0.807811 0.5 0.382749 ] [ 0.192189 0.5 0.382749 ] [ 0.617251 0.192189 0.5 ] [ 0.382749 0.192189 0.5 ] [ 0.5 0.617251 0.807811 ] [ 0.5 0.382749 0.192189 ] [ 0.684086 0.315914 0.684086 ] [ 0.184086 0.184086 0.184086 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.24375391 "source-unit" "angstrom" } }