{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.125 ] [ 0.25 0 0.375 ] [ 0 0.25 0.625 ] [ 0.25 0.5 0.875 ] [ 0 0.75 0.625 ] [ 0.75 0.5 0.875 ] [ 0.5 0.75 0.125 ] [ 0.75 0 0.375 ] [ 0.75 0 0.875 ] [ 0 0.25 0.125 ] [ 0.75 0.5 0.375 ] [ 0.5 0.25 0.625 ] [ 0.25 0.5 0.375 ] [ 0.5 0.75 0.625 ] [ 0.25 0 0.875 ] [ 0 0.75 0.125 ] [ 0.209137 0.791799 0.994452 ] [ 0.709137 0.791799 0.755548 ] [ 0.5 0.5 0.708288 ] [ 0.5 0 0.958288 ] [ 0.791799 0.790863 0.005548 ] [ 0.791799 0.290863 0.244452 ] [ 0.5 0 0.25 ] [ 0.708201 0.209137 0.744452 ] [ 0.290863 0.208201 0.755548 ] [ 0 0.5 0.041712 ] [ 0.708201 0.709137 0.505548 ] [ 0 0 0.5 ] [ 0 0 0.791712 ] [ 0.790863 0.208201 0.994452 ] [ 0.709137 0.291799 0.494452 ] [ 0.209137 0.291799 0.255548 ] [ 0 0 0.208288 ] [ 0 0.5 0.458288 ] [ 0.291799 0.290863 0.505548 ] [ 0.291799 0.790863 0.744452 ] [ 0 0.5 0.75 ] [ 0.208201 0.709137 0.244452 ] [ 0.790863 0.708201 0.255548 ] [ 0.5 0 0.541712 ] [ 0.208201 0.209137 0.005548 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.291712 ] [ 0.290863 0.708201 0.494452 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.52910473 "source-unit" "angstrom" } "b" { "source-value" 7.52910473 "source-unit" "angstrom" } "c" { "source-value" 10.63102003 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } "beta" { "source-value" 90 "source-unit" "degree" } "gamma" { "source-value" 90 "source-unit" "degree" } }