{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.091624 ] [ 0 0.5 0.908376 ] [ 0.5 0 0.342063 ] [ 0 0.5 0.657937 ] [ 0 0.5 0.21059 ] [ 0.5 0 0.78941 ] [ 0 0.5 0.423136 ] [ 0.5 0 0.576864 ] [ 0 0 0.23058 ] [ 0.5 0.5 0.23058 ] [ 0.5 0.5 0.76942 ] [ 0 0 0.76942 ] [ 0 0.5 0.073739 ] [ 0.5 0 0.926261 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Cl" "Cl" "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" 3.9362391 "source-unit" "angstrom" } "c" { "source-value" 14.77689547 "source-unit" "angstrom" } }