{ "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 ] [ 0.825528 0.674472 0.5 ] [ 0.674472 0.174472 0.5 ] [ 0.325528 0.825528 0.5 ] [ 0.174472 0.325528 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.139193 0.639193 0.257244 ] [ 0.860807 0.360807 0.257244 ] [ 0.360807 0.139193 0.257244 ] [ 0.639193 0.860807 0.257244 ] [ 0.139193 0.639193 0.742756 ] [ 0.639193 0.860807 0.742756 ] [ 0.860807 0.360807 0.742756 ] [ 0.360807 0.139193 0.742756 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sm" "Sm" "Sm" "Sm" "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" 6.74426368 "source-unit" "angstrom" } "c" { "source-value" 5.97855145 "source-unit" "angstrom" } }