{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.251782 ] [ 0.5 0 0.501782 ] [ 0 0 0.751782 ] [ 0 0.5 0.001782 ] [ 0 0 0.331451 ] [ 0 0.5 0.581451 ] [ 0.5 0.5 0.831451 ] [ 0.5 0 0.081451 ] [ 0 0.5 0.412767 ] [ 0.5 0.5 0.662767 ] [ 0.5 0 0.912767 ] [ 0 0 0.162767 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18165423 "source-unit" "angstrom" } "c" { "source-value" 14.01971996 "source-unit" "angstrom" } }