{ "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" [ [ 0.2828 0.67897 0.257452 ] [ 0.7172 0.32103 0.742548 ] [ 0 0 0 ] [ 0.83923 0.868185 0.625274 ] [ 0.16077 0.131815 0.374726 ] [ 0.134954 0.982543 0.689778 ] [ 0.865046 0.017457 0.310222 ] [ 0.360628 0.693145 0.772078 ] [ 0.639372 0.306855 0.227922 ] [ 0.143592 0.728927 0.909467 ] [ 0.856408 0.271073 0.090533 ] [ 0.637558 0.747257 0.921592 ] [ 0.362442 0.252743 0.078408 ] [ 0.39349 0.870831 0.661969 ] [ 0.60651 0.129169 0.338031 ] [ 0.262391 0.420641 0.616448 ] [ 0.737609 0.579359 0.383552 ] [ 0.974386 0.006723 0.722008 ] [ 0.025614 0.993277 0.277992 ] ] } "species" { "source-value" [ "K" "K" "Co" "H" "H" "H" "H" "Se" "Se" "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" 6.67313561039 "source-unit" "angstrom" } "b" { "source-value" 7.67493355134 "source-unit" "angstrom" } "c" { "source-value" 5.5994305957 "source-unit" "angstrom" } "alpha" { "source-value" 96.2647874439 "source-unit" "degree" } "beta" { "source-value" 105.293065315 "source-unit" "degree" } "gamma" { "source-value" 111.857902049 "source-unit" "degree" } }