{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.989045 0.04745 0.25 ] [ 0.510955 0.54745 0.25 ] [ 0.489045 0.45255 0.75 ] [ 0.010955 0.95255 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.286215 0.712444 0.542999 ] [ 0.213785 0.212444 0.957001 ] [ 0.786215 0.787556 0.457001 ] [ 0.713785 0.287556 0.042999 ] [ 0.713785 0.287556 0.457001 ] [ 0.786215 0.787556 0.042999 ] [ 0.213785 0.212444 0.542999 ] [ 0.286215 0.712444 0.957001 ] [ 0.921021 0.514351 0.75 ] [ 0.578979 0.014351 0.75 ] [ 0.421021 0.985649 0.25 ] [ 0.078979 0.485649 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.43176205 "source-unit" "angstrom" } "b" { "source-value" 5.49584938 "source-unit" "angstrom" } "c" { "source-value" 7.70942855 "source-unit" "angstrom" } }