{ "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" [ [ 0.774161 0.264198 0.686525 ] [ 0.225839 0.735802 0.313475 ] [ 0.225839 0.764198 0.813475 ] [ 0.774161 0.235802 0.186525 ] [ 0.114785 0.22628 0.471729 ] [ 0.885215 0.77372 0.528271 ] [ 0.885215 0.72628 0.028271 ] [ 0.114785 0.27372 0.971729 ] [ 0.462384 0.959574 0.167813 ] [ 0.462384 0.540426 0.667813 ] [ 0.585488 0.210045 0.918944 ] [ 0.067135 0.09845 0.829111 ] [ 0.537616 0.459574 0.332187 ] [ 0.585488 0.289955 0.418944 ] [ 0.067135 0.40155 0.329111 ] [ 0.932865 0.59845 0.670889 ] [ 0.414512 0.789955 0.081056 ] [ 0.414512 0.710045 0.581056 ] [ 0.932865 0.90155 0.170889 ] [ 0.537616 0.040426 0.832187 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cl" "Cl" "Cl" "Cl" "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" 6.84205068588 "source-unit" "angstrom" } "b" { "source-value" 5.90082964 "source-unit" "angstrom" } "c" { "source-value" 9.18182297327 "source-unit" "angstrom" } "beta" { "source-value" 104.684151195 "source-unit" "degree" } }