{ "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" [ [ 0.184807 0.5 0.053841 ] [ 0.947851 0.5 0.311191 ] [ 0.6983 0.5 0.567614 ] [ 0.175829 0 0.162475 ] [ 0.950203 0 0.815065 ] [ 0.427383 0.5 0.415602 ] [ 0.12411 0.5 0.871446 ] [ 0.666478 0 0.669248 ] [ 0.684807 0 0.053841 ] [ 0.447851 0 0.311191 ] [ 0.1983 0 0.567614 ] [ 0.675829 0.5 0.162475 ] [ 0.450203 0.5 0.815065 ] [ 0.927383 0 0.415602 ] [ 0.62411 0 0.871446 ] [ 0.166478 0.5 0.669248 ] [ 0.987571 0 0.99754 ] [ 0.233496 0.5 0.251305 ] [ 0.979762 0.5 0.502744 ] [ 0.749085 0.5 0.756954 ] [ 0.487571 0.5 0.99754 ] [ 0.733496 0 0.251305 ] [ 0.479762 0 0.502744 ] [ 0.249085 0 0.756954 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29767089 "source-unit" "angstrom" } "b" { "source-value" 4.20435356 "source-unit" "angstrom" } "c" { "source-value" 13.64327171 "source-unit" "angstrom" } "beta" { "source-value" 101.43687309 "source-unit" "degree" } }