{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.658293 0.779271 0.608687 ] [ 0.158293 0.279271 0.891313 ] [ 0.279271 0.841707 0.108687 ] [ 0.720729 0.158293 0.108687 ] [ 0.341707 0.220729 0.608687 ] [ 0.841707 0.720729 0.891313 ] [ 0.220729 0.658293 0.391313 ] [ 0.779271 0.341707 0.391313 ] [ 0.340966 0.109609 0.109139 ] [ 0.659034 0.890391 0.109139 ] [ 0.609609 0.159034 0.609139 ] [ 0.109609 0.659034 0.890861 ] [ 0.159034 0.390391 0.390861 ] [ 0.840966 0.609609 0.390861 ] [ 0.890391 0.340966 0.890861 ] [ 0.390391 0.840966 0.609139 ] ] } "species" { "source-value" [ "Nd" "Nd" "B" "B" "B" "B" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.70268591 "source-unit" "angstrom" } "c" { "source-value" 3.99445481 "source-unit" "angstrom" } }