{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.130481 0.25843 0.873124 ] [ 0.74157 0.130481 0.126876 ] [ 0.869519 0.74157 0.873124 ] [ 0.25843 0.869519 0.126876 ] [ 0.630481 0.75843 0.373124 ] [ 0.24157 0.630481 0.626876 ] [ 0.369519 0.24157 0.373124 ] [ 0.75843 0.369519 0.626876 ] ] } "species" { "source-value" [ "B" "B" "P" "P" "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" 4.44199462834 "source-unit" "angstrom" } "c" { "source-value" 6.70984067328 "source-unit" "angstrom" } }