{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.903532 0.75 0.57992 ] [ 0.596468 0.75 0.07992 ] [ 0.403532 0.25 0.92008 ] [ 0.096468 0.25 0.42008 ] [ 0.961214 0.25 0.722755 ] [ 0.538786 0.25 0.222755 ] [ 0.461214 0.75 0.777245 ] [ 0.038786 0.75 0.277245 ] [ 0.758318 0.75 0.443904 ] [ 0.764193 0.939881 0.656634 ] [ 0.764193 0.560119 0.656634 ] [ 0.72972 0.25 0.922492 ] [ 0.77028 0.25 0.422492 ] [ 0.735807 0.560119 0.156634 ] [ 0.735807 0.939881 0.156634 ] [ 0.741682 0.75 0.943904 ] [ 0.258318 0.25 0.056096 ] [ 0.264193 0.439881 0.843366 ] [ 0.264193 0.060119 0.843366 ] [ 0.22972 0.75 0.577508 ] [ 0.27028 0.75 0.077508 ] [ 0.235807 0.060119 0.343366 ] [ 0.235807 0.439881 0.343366 ] [ 0.241682 0.25 0.556096 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 4.95600577 "source-unit" "angstrom" } "b" { "source-value" 6.74430722 "source-unit" "angstrom" } "c" { "source-value" 10.92207595 "source-unit" "angstrom" } }