{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.674317 0.174317 0.5 ] [ 0.825683 0.674317 0.5 ] [ 0.174317 0.325683 0.5 ] [ 0.325683 0.825683 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.360674 0.139326 0.254043 ] [ 0.639326 0.860674 0.254043 ] [ 0.139326 0.639326 0.745957 ] [ 0.860674 0.360674 0.254043 ] [ 0.5 0.5 0.5 ] [ 0.639326 0.860674 0.745957 ] [ 0.360674 0.139326 0.745957 ] [ 0.860674 0.360674 0.745957 ] [ 0.139326 0.639326 0.254043 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Nd" "Nd" "Pt" "Pt" "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" 6.82973357 "source-unit" "angstrom" } "c" { "source-value" 5.9968082 "source-unit" "angstrom" } }