{ "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" [ [ 0.182485 0.682485 0 ] [ 0.817515 0.317515 0 ] [ 0.682485 0.817515 0 ] [ 0.317515 0.182485 0 ] [ 0.086755 0.413245 0.5 ] [ 0.5 0.5 0.79765 ] [ 0.961462 0.823209 0.5 ] [ 0.676791 0.538538 0.5 ] [ 0.5 0.5 0.20235 ] [ 0.323209 0.461462 0.5 ] [ 0 0 0.20235 ] [ 0.038538 0.176791 0.5 ] [ 0.538538 0.323209 0.5 ] [ 0.823209 0.038538 0.5 ] [ 0.586755 0.086755 0.5 ] [ 0.461462 0.676791 0.5 ] [ 0.413245 0.913245 0.5 ] [ 0.913245 0.586755 0.5 ] [ 0.176791 0.961462 0.5 ] [ 0 0 0.79765 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.05271598 "source-unit" "angstrom" } "c" { "source-value" 3.98435487 "source-unit" "angstrom" } }