{ "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 0.875 ] [ 0.75 0 0.125 ] [ 0.75 0.5 0.375 ] [ 0.25 0.5 0.625 ] [ 0.25 0.5 0.125 ] [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.25 0.183474 0.54905 ] [ 0.066526 0.5 0.29905 ] [ 0.933474 0 0.79905 ] [ 0.75 0.316526 0.04905 ] [ 0.933474 0.5 0.70095 ] [ 0.75 0.816526 0.45095 ] [ 0.066526 0 0.20095 ] [ 0.25 0.683474 0.95095 ] [ 0.75 0.683474 0.04905 ] [ 0.566526 0 0.79905 ] [ 0.433474 0.5 0.29905 ] [ 0.25 0.816526 0.54905 ] [ 0.433474 0 0.20095 ] [ 0.25 0.316526 0.95095 ] [ 0.566526 0.5 0.70095 ] [ 0.75 0.183474 0.45095 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cr" "Cr" "Cr" "Cr" "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" 7.24788006599 "source-unit" "angstrom" } "c" { "source-value" 6.30887489139 "source-unit" "angstrom" } }