{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.81608 0.31608 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.18392 0.68392 0 ] [ 0.31608 0.18392 0 ] [ 0.68392 0.81608 0 ] [ 0.31608 0.81608 0.5 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.68392 0.18392 0.5 ] [ 0.81608 0.68392 0.5 ] [ 0.18392 0.31608 0.5 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "As" "As" "As" "As" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33963389543 "source-unit" "angstrom" } "c" { "source-value" 7.91684151203 "source-unit" "angstrom" } }