{ "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" [ [ 0.924288 0.933536 0.176975 ] [ 0.075712 0.066464 0.823025 ] [ 0.761058 0.267884 0.493129 ] [ 0.238942 0.732116 0.506871 ] [ 0.397737 0.431295 0.141252 ] [ 0.602263 0.568705 0.858748 ] [ 0.935644 0.451202 0.169743 ] [ 0.064356 0.548798 0.830257 ] [ 0.402834 0.940786 0.126597 ] [ 0.597166 0.059214 0.873403 ] [ 0.30512 0.295486 0.526111 ] [ 0.69488 0.704514 0.473889 ] [ 0.070452 0.78709 0.022387 ] [ 0.929548 0.21291 0.977613 ] [ 0.503539 0.806772 0.005063 ] [ 0.496461 0.193228 0.994937 ] [ 0.194323 0.402107 0.644929 ] [ 0.805677 0.597893 0.355071 ] [ 0.658139 0.48378 0.625951 ] [ 0.341861 0.51622 0.374049 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "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" 7.71336840101 "source-unit" "angstrom" } "b" { "source-value" 7.9610550559 "source-unit" "angstrom" } "c" { "source-value" 10.5988374505 "source-unit" "angstrom" } "alpha" { "source-value" 85.1548569652 "source-unit" "degree" } "beta" { "source-value" 109.741303298 "source-unit" "degree" } "gamma" { "source-value" 118.691672766 "source-unit" "degree" } }