{ "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" [ [ 0.319928 0.687559 0.621515 ] [ 0.680072 0.312441 0.378485 ] [ 0.387349 0.275917 0.884557 ] [ 0.802365 0.127863 0.815813 ] [ 0.197635 0.872137 0.184187 ] [ 0.612651 0.724083 0.115443 ] [ 0 0 0.5 ] [ 0.825306 0.620124 0.801695 ] [ 0.174694 0.379876 0.198305 ] [ 0.918028 0.731999 0.582761 ] [ 0.287854 0.167736 0.114353 ] [ 0.323059 0.511892 0.985701 ] [ 0.475651 0.556027 0.305443 ] [ 0.489538 0.908861 0.166175 ] [ 0.905021 0.401828 0.73059 ] [ 0.712146 0.832264 0.885647 ] [ 0.917778 0.233583 0.048755 ] [ 0.676941 0.488108 0.014299 ] [ 0.081972 0.268001 0.417239 ] [ 0.096865 0.131816 0.749854 ] [ 0.726498 0.003179 0.572178 ] [ 0.094979 0.598172 0.26941 ] [ 0.903135 0.868184 0.250146 ] [ 0.082222 0.766417 0.951245 ] [ 0.510462 0.091139 0.833825 ] [ 0.273502 0.996821 0.427822 ] [ 0.524349 0.443973 0.694557 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 6.83651184295 "source-unit" "angstrom" } "b" { "source-value" 7.22805213748 "source-unit" "angstrom" } "c" { "source-value" 7.64974024577 "source-unit" "angstrom" } "alpha" { "source-value" 93.3492590726 "source-unit" "degree" } "beta" { "source-value" 94.6007239866 "source-unit" "degree" } "gamma" { "source-value" 115.636333458 "source-unit" "degree" } }