{ "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" [ [ 0.5 0.5 0 ] [ 0.914349 0.203883 0.597898 ] [ 0.5 0.5 0.5 ] [ 0.085651 0.796117 0.402102 ] [ 0.528402 0.010544 0.81593 ] [ 0.000876 0.788284 0.856577 ] [ 0.999124 0.211716 0.143423 ] [ 0.471598 0.989456 0.18407 ] [ 0.262566 0.073257 0.990632 ] [ 0.780499 0.214197 0.958203 ] [ 0.406431 0.106363 0.684723 ] [ 0.854858 0.565265 0.771951 ] [ 0.287931 0.783622 0.729457 ] [ 0.800659 0.877781 0.70839 ] [ 0.199341 0.122219 0.29161 ] [ 0.712069 0.216378 0.270543 ] [ 0.145142 0.434735 0.228049 ] [ 0.593569 0.893637 0.315277 ] [ 0.219501 0.785803 0.041797 ] [ 0.737434 0.926743 0.009368 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ta" "Ta" "Ta" "Ta" "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" 5.17377975 "source-unit" "angstrom" } "b" { "source-value" 8.57985203 "source-unit" "angstrom" } "c" { "source-value" 9.11195733 "source-unit" "angstrom" } "alpha" { "source-value" 114.19379086 "source-unit" "degree" } "beta" { "source-value" 93.74136809 "source-unit" "degree" } "gamma" { "source-value" 94.58255134 "source-unit" "degree" } }