{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.138683 0.5 ] [ 0.5 0.137019 0 ] [ 0.5 0.862981 0 ] [ 0 0.861317 0.5 ] [ 0.5 0.638683 0.5 ] [ 0 0.637019 0 ] [ 0 0.362981 0 ] [ 0.5 0.361317 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.751901 0 0.753335 ] [ 0.751901 0 0.246665 ] [ 0.248099 0 0.753335 ] [ 0.248099 0 0.246665 ] [ 0 0.180683 0 ] [ 0.5 0.182058 0.5 ] [ 0.5 0.817942 0.5 ] [ 0 0.819317 0 ] [ 0.251901 0.5 0.753335 ] [ 0.251901 0.5 0.246665 ] [ 0.748099 0.5 0.753335 ] [ 0.748099 0.5 0.246665 ] [ 0.5 0.680683 0 ] [ 0 0.682058 0.5 ] [ 0 0.317942 0.5 ] [ 0.5 0.319317 0 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "Mn" "Mn" "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" 5.41770273 "source-unit" "angstrom" } "b" { "source-value" 12.92868299 "source-unit" "angstrom" } "c" { "source-value" 5.41802823 "source-unit" "angstrom" } }