{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.359617 0.322229 0.923461 ] [ 0.937073 0.62604 0.846104 ] [ 0.371307 0.801919 0.808772 ] [ 0.628693 0.301919 0.691228 ] [ 0.062927 0.12604 0.653896 ] [ 0.640383 0.822229 0.576539 ] [ 0.359617 0.177771 0.423461 ] [ 0.937073 0.87396 0.346104 ] [ 0.371307 0.698081 0.308772 ] [ 0.628693 0.198081 0.191228 ] [ 0.062927 0.37396 0.153896 ] [ 0.640383 0.677771 0.076539 ] [ 0.835539 0.094943 0.929453 ] [ 0.164461 0.594943 0.570547 ] [ 0.835539 0.405057 0.429453 ] [ 0.164461 0.905057 0.070547 ] [ 0.73767 0.368073 0.962592 ] [ 0.110288 0.042611 0.899583 ] [ 0.686565 0.931806 0.805762 ] [ 0.313435 0.431806 0.694238 ] [ 0.889712 0.542611 0.600417 ] [ 0.26233 0.868073 0.537408 ] [ 0.73767 0.131927 0.462592 ] [ 0.110288 0.457389 0.399583 ] [ 0.686565 0.568194 0.305762 ] [ 0.313435 0.068194 0.194238 ] [ 0.889712 0.957389 0.100417 ] [ 0.26233 0.631927 0.037408 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pb" "Pb" "Pb" "Pb" "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" 8.08302645 "source-unit" "angstrom" } "b" { "source-value" 7.40458221 "source-unit" "angstrom" } "c" { "source-value" 11.80741078 "source-unit" "angstrom" } "beta" { "source-value" 93.85853667 "source-unit" "degree" } }