{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.889196 0.788038 0.225057 ] [ 0.788038 0.110804 0.774943 ] [ 0.610804 0.711962 0.725057 ] [ 0.211962 0.889196 0.774943 ] [ 0 0.5 0.75 ] [ 0.389196 0.288038 0.725057 ] [ 0.288038 0.610804 0.274943 ] [ 0.110804 0.211962 0.225057 ] [ 0.711962 0.389196 0.274943 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.689062 0.911187 0.994942 ] [ 0.088813 0.689062 0.005058 ] [ 0.411187 0.810938 0.505058 ] [ 0.732715 0.90484 0.500002 ] [ 0.09516 0.732715 0.499998 ] [ 0.90484 0.267285 0.499998 ] [ 0.810938 0.588813 0.494942 ] [ 0.767285 0.59516 0.000002 ] [ 0.5 0.5 0.5 ] [ 0.189062 0.411187 0.494942 ] [ 0.588813 0.189062 0.505058 ] [ 0.911187 0.310938 0.005058 ] [ 0.232715 0.40484 0.000002 ] [ 0.59516 0.232715 0.999998 ] [ 0.40484 0.767285 0.999998 ] [ 0.310938 0.088813 0.994942 ] [ 0.267285 0.09516 0.500002 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "O" "O" "O" "O" "O" "O" "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" 8.6949034 "source-unit" "angstrom" } "c" { "source-value" 5.57801143 "source-unit" "angstrom" } }