{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.914923 0 ] [ 0.75 0.355093 0 ] [ 0.25 0.644907 0 ] [ 0.25 0.085077 0 ] [ 0.409009 0.876178 0.161935 ] [ 0.909009 0.123822 0.161935 ] [ 0.909009 0.623822 0.338065 ] [ 0.409009 0.376178 0.338065 ] [ 0.75 0.855093 0.5 ] [ 0.25 0.585077 0.5 ] [ 0.75 0.414923 0.5 ] [ 0.25 0.144907 0.5 ] [ 0.590991 0.623822 0.661935 ] [ 0.090991 0.376178 0.661935 ] [ 0.090991 0.876178 0.838065 ] [ 0.590991 0.123822 0.838065 ] [ 0.921496 0.628683 0.129199 ] [ 0.421496 0.371317 0.129199 ] [ 0.421496 0.871317 0.370801 ] [ 0.921496 0.128683 0.370801 ] [ 0.078504 0.871317 0.629199 ] [ 0.578504 0.128683 0.629199 ] [ 0.578504 0.628683 0.870801 ] [ 0.078504 0.371317 0.870801 ] [ 0.565027 0.140267 0.095928 ] [ 0.065027 0.859733 0.095928 ] [ 0.600076 0.604115 0.119342 ] [ 0.100076 0.395885 0.119342 ] [ 0.100076 0.895885 0.380658 ] [ 0.600076 0.104115 0.380658 ] [ 0.565027 0.640267 0.404072 ] [ 0.065027 0.359733 0.404072 ] [ 0.934973 0.640267 0.595928 ] [ 0.434973 0.359733 0.595928 ] [ 0.399924 0.895885 0.619342 ] [ 0.899924 0.104115 0.619342 ] [ 0.899924 0.604115 0.880658 ] [ 0.399924 0.395885 0.880658 ] [ 0.434973 0.859733 0.904072 ] [ 0.934973 0.140267 0.904072 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 5.95859452 "source-unit" "angstrom" } "b" { "source-value" 6.91263266 "source-unit" "angstrom" } "c" { "source-value" 15.94450747 "source-unit" "angstrom" } }