{ "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" [ [ 0.848262 0.848262 0.255683 ] [ 0.651738 0.348262 0.755683 ] [ 0.651738 0.348262 0.244317 ] [ 0.5 0 0 ] [ 0.348262 0.651738 0.244317 ] [ 0.348262 0.651738 0.755683 ] [ 0 0.5 0 ] [ 0.151738 0.151738 0.255683 ] [ 0.151738 0.151738 0.744317 ] [ 0.5 0 0.5 ] [ 0.848262 0.848262 0.744317 ] [ 0 0.5 0.5 ] [ 0.655071 0.655071 0 ] [ 0.155071 0.844929 0.5 ] [ 0.844929 0.155071 0.5 ] [ 0.344929 0.344929 0 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "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" 7.116895285 "source-unit" "angstrom" } "c" { "source-value" 7.3217372 "source-unit" "angstrom" } }