{ "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" [ [ 0.772915 0.077852 0.5 ] [ 0.227085 0.922148 0.5 ] [ 0.077852 0.227085 0.5 ] [ 0.922148 0.772915 0.5 ] [ 0.772915 0.922148 0 ] [ 0.922148 0.227085 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0.227085 0.077852 0 ] [ 0.077852 0.772915 0 ] [ 0.272915 0.577852 0 ] [ 0.727085 0.422148 0 ] [ 0.577852 0.727085 0 ] [ 0.422148 0.272915 0 ] [ 0.272915 0.422148 0.5 ] [ 0.422148 0.727085 0.5 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.727085 0.577852 0.5 ] [ 0.577852 0.272915 0.5 ] [ 0.835922 0.335922 0.5 ] [ 0.835922 0.664078 0 ] [ 0.664078 0.835922 0.5 ] [ 0.664078 0.164078 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.335922 0.835922 0 ] [ 0.335922 0.164078 0.5 ] [ 0.164078 0.335922 0 ] [ 0.164078 0.664078 0.5 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.46760701 "source-unit" "angstrom" } "c" { "source-value" 4.94417237 "source-unit" "angstrom" } }