{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.24051 0.41017 0.510711 ] [ 0.74051 0.08983 0.010711 ] [ 0.25949 0.58983 0.010711 ] [ 0.75949 0.91017 0.510711 ] [ 0.303237 0.264088 0.159334 ] [ 0.74051 0.41017 0.989289 ] [ 0.696763 0.764088 0.159334 ] [ 0.696763 0.735912 0.840666 ] [ 0.75949 0.58983 0.489289 ] [ 0.303237 0.235912 0.840666 ] [ 0.25949 0.91017 0.989289 ] [ 0.196763 0.764088 0.340666 ] [ 0.196763 0.735912 0.659334 ] [ 0.803237 0.264088 0.340666 ] [ 0.24051 0.08983 0.489289 ] [ 0.803237 0.235912 0.659334 ] [ 0.078382 0.48891 0.771074 ] [ 0.921618 0.98891 0.771074 ] [ 0.421618 0.98891 0.728926 ] [ 0.578382 0.48891 0.728926 ] [ 0.921618 0.51109 0.228926 ] [ 0.078382 0.01109 0.228926 ] [ 0.421618 0.51109 0.271074 ] [ 0.578382 0.01109 0.271074 ] [ 0.940422 0.350813 0.162875 ] [ 0.124633 0.160887 0.30369 ] [ 0.439702 0.054894 0.886855 ] [ 0.939702 0.054894 0.613145 ] [ 0.624633 0.160887 0.19631 ] [ 0.060298 0.554894 0.613145 ] [ 0.11088 0.088875 0.07595 ] [ 0.61088 0.088875 0.42405 ] [ 0.940422 0.149187 0.837125 ] [ 0.375367 0.839113 0.80369 ] [ 0.88912 0.588875 0.07595 ] [ 0.875367 0.660887 0.30369 ] [ 0.61088 0.411125 0.57595 ] [ 0.38912 0.588875 0.42405 ] [ 0.559578 0.850813 0.337125 ] [ 0.440422 0.149187 0.662875 ] [ 0.476519 0.75 0 ] [ 0.560298 0.945106 0.113145 ] [ 0.88912 0.911125 0.92405 ] [ 0.976519 0.75 0.5 ] [ 0.439702 0.445106 0.113145 ] [ 0.440422 0.350813 0.337125 ] [ 0.124633 0.339113 0.69631 ] [ 0.023481 0.25 0.5 ] [ 0.059578 0.649187 0.837125 ] [ 0.375367 0.660887 0.19631 ] [ 0.875367 0.839113 0.69631 ] [ 0.11088 0.411125 0.92405 ] [ 0.059578 0.850813 0.162875 ] [ 0.560298 0.554894 0.886855 ] [ 0.624633 0.339113 0.80369 ] [ 0.939702 0.445106 0.386855 ] [ 0.559578 0.649187 0.662875 ] [ 0.523481 0.25 0 ] [ 0.38912 0.911125 0.57595 ] [ 0.060298 0.945106 0.386855 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" "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" 6.02102234 "source-unit" "angstrom" } "b" { "source-value" 11.89697354 "source-unit" "angstrom" } "c" { "source-value" 11.91201831 "source-unit" "angstrom" } }