{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.882172 0.5 0.127258 ] [ 0.382172 0 0.127258 ] [ 0.62572 0.236094 0.610975 ] [ 0.03505 0 0.064648 ] [ 0.878039 0.5 0.624976 ] [ 0.207152 0.5 0.201091 ] [ 0.62572 0.763906 0.610975 ] [ 0.12572 0.736094 0.610975 ] [ 0.53505 0.5 0.064648 ] [ 0.378039 0 0.624976 ] [ 0.707152 0 0.201091 ] [ 0.12572 0.263906 0.610975 ] [ 0.10225 0.5 0.825895 ] [ 0.153037 0 0.438742 ] [ 0.107224 0.5 0.376291 ] [ 0.60225 0 0.825895 ] [ 0.653037 0.5 0.438742 ] [ 0.607224 0 0.376291 ] [ 0.370471 0.245741 0.359516 ] [ 0.87792 0.748116 0.889452 ] [ 0.87792 0.251884 0.889452 ] [ 0.136856 0 0.871218 ] [ 0.370471 0.754259 0.359516 ] [ 0.870471 0.745741 0.359516 ] [ 0.37792 0.248116 0.889452 ] [ 0.37792 0.751884 0.889452 ] [ 0.636856 0.5 0.871218 ] [ 0.870471 0.254259 0.359516 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.85004747 "source-unit" "angstrom" } "b" { "source-value" 6.24258204 "source-unit" "angstrom" } "c" { "source-value" 6.37873797 "source-unit" "angstrom" } "beta" { "source-value" 125.29232198 "source-unit" "degree" } }