{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.128372 ] [ 0 0.25 0.871628 ] [ 0.5 0.25 0.628372 ] [ 0.5 0.75 0.371628 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.970981 0.761961 ] [ 0.267918 0.75 0.989453 ] [ 0.732082 0.75 0.989453 ] [ 0 0.029019 0.261961 ] [ 0 0.970981 0.738039 ] [ 0.732082 0.25 0.010547 ] [ 0.267918 0.25 0.010547 ] [ 0.5 0.029019 0.238039 ] [ 0 0.470981 0.261961 ] [ 0.767918 0.25 0.489453 ] [ 0.232082 0.25 0.489453 ] [ 0.5 0.529019 0.761961 ] [ 0.5 0.470981 0.238039 ] [ 0.232082 0.75 0.510547 ] [ 0.767918 0.75 0.510547 ] [ 0 0.529019 0.738039 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Sn" "Sn" "Sn" "Sn" "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" 6.06921818 "source-unit" "angstrom" } "b" { "source-value" 6.31630785 "source-unit" "angstrom" } "c" { "source-value" 8.74737994 "source-unit" "angstrom" } }