{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.136464 0.636464 0.5 ] [ 0.636464 0.863536 0.5 ] [ 0.863536 0.363536 0.5 ] [ 0.363536 0.136464 0.5 ] [ 0.83787 0.66213 0.5 ] [ 0.33787 0.83787 0.5 ] [ 0.66213 0.16213 0.5 ] [ 0.16213 0.33787 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "B" "B" "B" "B" "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" 5.33839322 "source-unit" "angstrom" } "c" { "source-value" 3.51412069 "source-unit" "angstrom" } }