{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.125 ] [ 0.25 0 0.875 ] [ 0.25 0.5 0.625 ] [ 0.75 0.5 0.375 ] [ 0.75 0.811813 0.443485 ] [ 0.938187 0.5 0.693485 ] [ 0.061813 0.5 0.306515 ] [ 0.25 0.188187 0.556515 ] [ 0.75 0.311813 0.056515 ] [ 0.938187 0 0.806515 ] [ 0.25 0.688187 0.943485 ] [ 0.061813 0 0.193485 ] [ 0.25 0.311813 0.943485 ] [ 0.438187 0 0.193485 ] [ 0.561813 0 0.806515 ] [ 0.75 0.688187 0.056515 ] [ 0.25 0.811813 0.556515 ] [ 0.438187 0.5 0.306515 ] [ 0.75 0.188187 0.443485 ] [ 0.561813 0.5 0.693485 ] ] } "species" { "source-value" [ "Pa" "Pa" "Pa" "Pa" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.43812011626 "source-unit" "angstrom" } "c" { "source-value" 7.74854632429 "source-unit" "angstrom" } }