{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.831982 ] [ 0 0 0.331982 ] [ 0.5 0.5 0.168018 ] [ 0 0 0.668018 ] [ 0.702597 0.702597 0.676271 ] [ 0.297403 0.297403 0.676271 ] [ 0.702597 0.702597 0.323729 ] [ 0.202597 0.797403 0.176271 ] [ 0.797403 0.202597 0.176271 ] [ 0.797403 0.202597 0.823729 ] [ 0.311104 0.311104 0 ] [ 0.188896 0.811104 0.5 ] [ 0.811104 0.188896 0.5 ] [ 0.688896 0.688896 0 ] [ 0.297403 0.297403 0.323729 ] [ 0.202597 0.797403 0.823729 ] ] } "species" { "source-value" [ "Mg" "Mg" "Ta" "Ta" "Ta" "Ta" "O" "O" "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" 4.77834765 "source-unit" "angstrom" } "c" { "source-value" 9.26435727 "source-unit" "angstrom" } }