{ "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" [ [ 0.764006 0.727739 0.505138 ] [ 0.235994 0.272261 0.494862 ] [ 0.93031 0.55792 0.831758 ] [ 0.06969 0.44208 0.168242 ] [ 0.15823 0.903918 0.218944 ] [ 0.84177 0.096082 0.781056 ] [ 0.280641 0.767038 0.483489 ] [ 0.719359 0.232962 0.516511 ] [ 0.515024 0.561976 0.201663 ] [ 0.484976 0.438024 0.798337 ] [ 0.281307 0.907554 0.84226 ] [ 0.718693 0.092446 0.15774 ] [ 0.974722 0.769621 0.256347 ] [ 0.025278 0.230379 0.743653 ] [ 0.905946 0.892229 0.87432 ] [ 0.094054 0.107771 0.12568 ] [ 0.396529 0.766983 0.123736 ] [ 0.603471 0.233017 0.876264 ] [ 0.194068 0.954573 0.373323 ] [ 0.805932 0.045427 0.626677 ] [ 0.10551 0.626215 0.559572 ] [ 0.89449 0.373785 0.440428 ] [ 0.360842 0.872757 0.589542 ] [ 0.639158 0.127243 0.410458 ] [ 0.507025 0.641442 0.362405 ] [ 0.492975 0.358558 0.637595 ] [ 0.240296 0.521946 0.90187 ] [ 0.759704 0.478054 0.09813 ] [ 0.62735 0.612577 0.759203 ] [ 0.37265 0.387423 0.240797 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Pb" "Pb" "O" "O" "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" 6.77887747841 "source-unit" "angstrom" } "b" { "source-value" 6.82710040033 "source-unit" "angstrom" } "c" { "source-value" 9.65053380668 "source-unit" "angstrom" } "alpha" { "source-value" 82.9015001526 "source-unit" "degree" } "beta" { "source-value" 69.675677948 "source-unit" "degree" } "gamma" { "source-value" 76.7812532946 "source-unit" "degree" } }