{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.668591 0 0.64884 ] [ 0.331409 0 0.64884 ] [ 0.5 0.168591 0.14884 ] [ 0.831409 0.5 0.85116 ] [ 0.168591 0.5 0.85116 ] [ 0 0.331409 0.35116 ] [ 0 0.668591 0.35116 ] [ 0.5 0.831409 0.14884 ] [ 0.248583 0 0.354391 ] [ 0.751417 0 0.354391 ] [ 0.5 0.251417 0.854391 ] [ 0.748583 0.5 0.145609 ] [ 0.251417 0.5 0.145609 ] [ 0 0.248583 0.645609 ] [ 0 0.751417 0.645609 ] [ 0.5 0.748583 0.854391 ] ] } "species" { "source-value" [ "Er" "Er" "B" "B" "B" "B" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33630442 "source-unit" "angstrom" } "c" { "source-value" 7.44528017 "source-unit" "angstrom" } }