{ "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" [ [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.821032 0.321032 0.125678 ] [ 0.821032 0.321032 0.874322 ] [ 0.178968 0.678968 0.874322 ] [ 0.321032 0.178968 0.874322 ] [ 0.178968 0.678968 0.125678 ] [ 0.321032 0.178968 0.125678 ] [ 0.678968 0.821032 0.125678 ] [ 0.678968 0.821032 0.874322 ] [ 0.321032 0.821032 0.625678 ] [ 0.321032 0.821032 0.374322 ] [ 0.678968 0.178968 0.374322 ] [ 0.821032 0.678968 0.374322 ] [ 0.678968 0.178968 0.625678 ] [ 0.821032 0.678968 0.625678 ] [ 0.178968 0.321032 0.625678 ] [ 0.178968 0.321032 0.374322 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.76247528379 "source-unit" "angstrom" } "c" { "source-value" 11.0878702967 "source-unit" "angstrom" } }