{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.105904 0.25 ] [ 0 0.63356 0.25 ] [ 0.829028 0.114662 0.616811 ] [ 0.829028 0.885338 0.116811 ] [ 0.170972 0.114662 0.883189 ] [ 0.170972 0.885338 0.383189 ] [ 0 0.36644 0.75 ] [ 0 0.894096 0.75 ] [ 0.5 0.605904 0.25 ] [ 0.5 0.13356 0.25 ] [ 0.329028 0.614662 0.616811 ] [ 0.329028 0.385338 0.116811 ] [ 0.670972 0.614662 0.883189 ] [ 0.670972 0.385338 0.383189 ] [ 0.5 0.86644 0.75 ] [ 0.5 0.394096 0.75 ] [ 0.652933 0.852619 0.433843 ] [ 0.347067 0.852619 0.066157 ] [ 0.652933 0.147381 0.933843 ] [ 0.347067 0.147381 0.566157 ] [ 0.152933 0.352619 0.433843 ] [ 0.847067 0.352619 0.066157 ] [ 0.152933 0.647381 0.933843 ] [ 0.847067 0.647381 0.566157 ] [ 0.908397 0.984225 0.921687 ] [ 0.732555 0.794166 0.737272 ] [ 0.07637 0.236326 0.579162 ] [ 0.578082 0.966195 0.479239 ] [ 0.421918 0.966195 0.020761 ] [ 0.92363 0.236326 0.920838 ] [ 0.908397 0.015775 0.421687 ] [ 0.897739 0.277904 0.383469 ] [ 0.897739 0.722096 0.883469 ] [ 0.266664 0.949298 0.147142 ] [ 0.266664 0.050702 0.647142 ] [ 0.267445 0.794166 0.762728 ] [ 0.732555 0.205834 0.237272 ] [ 0.733336 0.949298 0.352858 ] [ 0.733336 0.050702 0.852858 ] [ 0.102261 0.277904 0.116531 ] [ 0.102261 0.722096 0.616531 ] [ 0.091603 0.984225 0.578313 ] [ 0.07637 0.763674 0.079162 ] [ 0.578082 0.033805 0.979239 ] [ 0.421918 0.033805 0.520761 ] [ 0.92363 0.763674 0.420838 ] [ 0.267445 0.205834 0.262728 ] [ 0.091603 0.015775 0.078313 ] [ 0.408397 0.484225 0.921687 ] [ 0.232555 0.294166 0.737272 ] [ 0.57637 0.736326 0.579162 ] [ 0.078082 0.466195 0.479239 ] [ 0.921918 0.466195 0.020761 ] [ 0.42363 0.736326 0.920838 ] [ 0.408397 0.515775 0.421687 ] [ 0.397739 0.777904 0.383469 ] [ 0.397739 0.222096 0.883469 ] [ 0.766664 0.449298 0.147142 ] [ 0.766664 0.550702 0.647142 ] [ 0.767445 0.294166 0.762728 ] [ 0.232555 0.705834 0.237272 ] [ 0.233336 0.449298 0.352858 ] [ 0.233336 0.550702 0.852858 ] [ 0.602261 0.777904 0.116531 ] [ 0.602261 0.222096 0.616531 ] [ 0.591603 0.484225 0.578313 ] [ 0.57637 0.263674 0.079162 ] [ 0.078082 0.533805 0.979239 ] [ 0.921918 0.533805 0.520761 ] [ 0.42363 0.263674 0.420838 ] [ 0.767445 0.705834 0.262728 ] [ 0.591603 0.515775 0.078313 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 16.42448378 "source-unit" "angstrom" } "b" { "source-value" 11.17328664 "source-unit" "angstrom" } "c" { "source-value" 5.43141153 "source-unit" "angstrom" } "beta" { "source-value" 107.2423935 "source-unit" "degree" } }