{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.855603 0.209857 0.665262 ] [ 0.144397 0.709857 0.834738 ] [ 0.855603 0.290143 0.165262 ] [ 0.144397 0.790143 0.334738 ] [ 0.670214 0.710044 0.850179 ] [ 0.329786 0.210044 0.649821 ] [ 0.329786 0.289956 0.149821 ] [ 0.670214 0.789956 0.350179 ] [ 0.818595 0.427242 0.912756 ] [ 0.112715 0.375867 0.674074 ] [ 0.401246 0.995551 0.295091 ] [ 0.818595 0.072758 0.412756 ] [ 0.112715 0.124133 0.174074 ] [ 0.598754 0.004449 0.704909 ] [ 0.181405 0.572758 0.087244 ] [ 0.708522 0.56473 0.642454 ] [ 0.708522 0.93527 0.142454 ] [ 0.598754 0.495551 0.204909 ] [ 0.887285 0.875867 0.825926 ] [ 0.291478 0.06473 0.857546 ] [ 0.401246 0.504449 0.795091 ] [ 0.181405 0.927242 0.587244 ] [ 0.887285 0.624133 0.325926 ] [ 0.291478 0.43527 0.357546 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "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" 8.16203666215 "source-unit" "angstrom" } "b" { "source-value" 5.70780842 "source-unit" "angstrom" } "c" { "source-value" 8.63544452318 "source-unit" "angstrom" } "beta" { "source-value" 90.5770732191 "source-unit" "degree" } }