{ "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" [ [ 0.824514 0.675486 0.5 ] [ 0.175486 0.324514 0.5 ] [ 0.675486 0.175486 0.5 ] [ 0.324514 0.824514 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.62623 0.87377 0 ] [ 0.37377 0.12623 0 ] [ 0.87377 0.37377 0 ] [ 0.12623 0.62623 0 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60495454 "source-unit" "angstrom" } "c" { "source-value" 4.00449513 "source-unit" "angstrom" } }