{ "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" [ [ 0.325603 0.825603 0.5 ] [ 0.825603 0.674397 0.5 ] [ 0.174397 0.325603 0.5 ] [ 0.674397 0.174397 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.119272 0.619272 0 ] [ 0.619272 0.880728 0 ] [ 0.880728 0.380728 0 ] [ 0.380728 0.119272 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.50670941 "source-unit" "angstrom" } "c" { "source-value" 3.86877034 "source-unit" "angstrom" } }