{ "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" [ [ 0.802546 0.802546 0.655313 ] [ 0.197454 0.197454 0.655313 ] [ 0.802546 0.802546 0.344687 ] [ 0.302546 0.697454 0.155313 ] [ 0.697454 0.302546 0.155313 ] [ 0.697454 0.302546 0.844687 ] [ 0.302546 0.697454 0.844687 ] [ 0.197454 0.197454 0.344687 ] [ 0.175422 0.175422 0 ] [ 0.324578 0.675422 0.5 ] [ 0.675422 0.324578 0.5 ] [ 0.824578 0.824578 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.857996 ] [ 0.5 0.5 0.357996 ] [ 0.5 0.5 0.642004 ] [ 0 0 0.142004 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.86343762 "source-unit" "angstrom" } "c" { "source-value" 10.50958348 "source-unit" "angstrom" } }