{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.101284 0.705284 0.5 ] [ 0.294716 0.101284 0.5 ] [ 0.705284 0.898716 0.5 ] [ 0.898716 0.294716 0.5 ] [ 0.601284 0.205284 0 ] [ 0.794716 0.601284 0 ] [ 0.205284 0.398716 0 ] [ 0.398716 0.794716 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60314594083 "source-unit" "angstrom" } "c" { "source-value" 4.01240429113 "source-unit" "angstrom" } }