{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.597223 0.055201 0.295591 ] [ 0.402777 0.944799 0.704409 ] [ 0.107075 0.251402 0.781945 ] [ 0 0 0 ] [ 0.641962 0.407571 0.670696 ] [ 0.358038 0.592429 0.329304 ] [ 0.892925 0.748598 0.218055 ] [ 0.121415 0.209424 0.423544 ] [ 0.631231 0.300081 0.030573 ] [ 0.368769 0.699919 0.969427 ] [ 0.878585 0.790576 0.576456 ] [ 0.342032 0.210952 0.96534 ] [ 0.780953 0.33159 0.873555 ] [ 0.079425 0.020023 0.255223 ] [ 0.846736 0.237945 0.496326 ] [ 0.29815 0.171711 0.555946 ] [ 0.754459 0.175435 0.1007 ] [ 0.348101 0.501522 0.818201 ] [ 0.276423 0.364047 0.374479 ] [ 0.723577 0.635953 0.625521 ] [ 0.651899 0.498478 0.181799 ] [ 0.245541 0.824565 0.8993 ] [ 0.70185 0.828289 0.444054 ] [ 0.153264 0.762055 0.503674 ] [ 0.920575 0.979977 0.744777 ] [ 0.219047 0.66841 0.126445 ] [ 0.657968 0.789048 0.03466 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.16421065 "source-unit" "angstrom" } "b" { "source-value" 7.85428127 "source-unit" "angstrom" } "c" { "source-value" 8.21582708 "source-unit" "angstrom" } "alpha" { "source-value" 112.1863839 "source-unit" "degree" } "beta" { "source-value" 88.52853666 "source-unit" "degree" } "gamma" { "source-value" 100.81349868 "source-unit" "degree" } }