{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.487112 0.5 ] [ 0.720972 0.208131 0.316943 ] [ 0 0.308161 0 ] [ 0.279028 0.208131 0.683057 ] [ 0.5 0.987112 0.5 ] [ 0.220972 0.708131 0.316943 ] [ 0.5 0.808161 0 ] [ 0.779028 0.708131 0.683057 ] [ 0 0.00006 0 ] [ 0.5 0.50006 0 ] [ 0.721609 0.815998 0.39735 ] [ 0.278391 0.815998 0.60265 ] [ 0.892279 0.181255 0.154502 ] [ 0.367043 0.921329 0.133605 ] [ 0.107721 0.181255 0.845498 ] [ 0.632957 0.921329 0.866395 ] [ 0.695755 0.074431 0.485598 ] [ 0 0.755782 0 ] [ 0.304245 0.074431 0.514402 ] [ 0.221609 0.315998 0.39735 ] [ 0.778391 0.315998 0.60265 ] [ 0.392279 0.681255 0.154502 ] [ 0.867043 0.421329 0.133605 ] [ 0.607721 0.681255 0.845498 ] [ 0.132957 0.421329 0.866395 ] [ 0.195755 0.574431 0.485598 ] [ 0.5 0.255782 0 ] [ 0.804245 0.574431 0.514402 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pb" "Pb" "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" 7.48227414449 "source-unit" "angstrom" } "b" { "source-value" 11.6300696788 "source-unit" "angstrom" } "c" { "source-value" 4.71793802194 "source-unit" "angstrom" } "beta" { "source-value" 115.150951693 "source-unit" "degree" } }