{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.125 ] [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.75 0 0.125 ] [ 0.25 0 0.875 ] [ 0.25 0.5 0.625 ] [ 0.75 0.5 0.375 ] [ 0.25 0.181017 0.051446 ] [ 0.568983 0 0.301446 ] [ 0.931017 0 0.301446 ] [ 0.25 0.818983 0.051446 ] [ 0.431017 0 0.698554 ] [ 0.75 0.818983 0.948554 ] [ 0.75 0.181017 0.948554 ] [ 0.068983 0 0.698554 ] [ 0.75 0.681017 0.551446 ] [ 0.068983 0.5 0.801446 ] [ 0.431017 0.5 0.801446 ] [ 0.75 0.318983 0.551446 ] [ 0.931017 0.5 0.198554 ] [ 0.25 0.318983 0.448554 ] [ 0.25 0.681017 0.448554 ] [ 0.568983 0.5 0.198554 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "As" "As" "As" "As" "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" 7.18396002105 "source-unit" "angstrom" } "c" { "source-value" 6.38008267779 "source-unit" "angstrom" } }