{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.91561 0.793568 0.5 ] [ 0.08439 0.206432 0.5 ] [ 0.206432 0.91561 0.5 ] [ 0.793568 0.08439 0.5 ] [ 0.793568 0.91561 0 ] [ 0.91561 0.206432 0 ] [ 0.08439 0.793568 0 ] [ 0.206432 0.08439 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.41561 0.293568 0 ] [ 0.58439 0.706432 0 ] [ 0.706432 0.41561 0 ] [ 0.293568 0.58439 0 ] [ 0.293568 0.41561 0.5 ] [ 0.41561 0.706432 0.5 ] [ 0.58439 0.293568 0.5 ] [ 0.706432 0.58439 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.345746 0.845746 0 ] [ 0.845746 0.654254 0 ] [ 0.654254 0.845746 0.5 ] [ 0.154254 0.654254 0.5 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.845746 0.345746 0.5 ] [ 0.345746 0.154254 0.5 ] [ 0.154254 0.345746 0 ] [ 0.654254 0.154254 0 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "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" 12.5649989842 "source-unit" "angstrom" } "c" { "source-value" 6.50281318101 "source-unit" "angstrom" } }