{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.165106 0.5 0.898774 ] [ 0.987737 0 0.980819 ] [ 0.99153 0 0.498048 ] [ 0.828857 0.5 0.410889 ] [ 0.665106 0 0.898774 ] [ 0.487737 0.5 0.980819 ] [ 0.49153 0.5 0.498048 ] [ 0.328857 0 0.410889 ] [ 0.829222 0 0.213684 ] [ 0.917395 0.257755 0.711794 ] [ 0.917395 0.742245 0.711794 ] [ 0.329222 0.5 0.213684 ] [ 0.417395 0.757755 0.711794 ] [ 0.417395 0.242245 0.711794 ] [ 0.085511 0.253221 0.213685 ] [ 0.085511 0.746779 0.213685 ] [ 0.172339 0 0.712196 ] [ 0.585511 0.753221 0.213685 ] [ 0.585511 0.246779 0.213685 ] [ 0.672339 0.5 0.712196 ] [ 0.173276 0.5 0.491774 ] [ 0.844296 0.5 0.978359 ] [ 0.673276 0 0.491774 ] [ 0.344296 0 0.978359 ] [ 0.089191 0.253248 0.587795 ] [ 0.017591 0.5 0.345819 ] [ 0.16349 0.5 0.103874 ] [ 0.00101 0 0.309354 ] [ 0.005232 0 0.798507 ] [ 0.089191 0.746752 0.587795 ] [ 0.235469 0.276291 0.348987 ] [ 0.235469 0.723709 0.348987 ] [ 0.166267 0 0.097344 ] [ 0.832808 0 0.58551 ] [ 0.75781 0.280749 0.855978 ] [ 0.75781 0.719251 0.855978 ] [ 0.830479 0.5 0.606356 ] [ 0.919863 0.253935 0.093404 ] [ 0.985126 0.5 0.85408 ] [ 0.919863 0.746065 0.093404 ] [ 0.589191 0.753248 0.587795 ] [ 0.517591 0 0.345819 ] [ 0.66349 0 0.103874 ] [ 0.50101 0.5 0.309354 ] [ 0.505232 0.5 0.798507 ] [ 0.589191 0.246752 0.587795 ] [ 0.735469 0.776291 0.348987 ] [ 0.735469 0.223709 0.348987 ] [ 0.666267 0.5 0.097344 ] [ 0.332808 0.5 0.58551 ] [ 0.25781 0.780749 0.855978 ] [ 0.25781 0.219251 0.855978 ] [ 0.330479 0 0.606356 ] [ 0.419863 0.753935 0.093404 ] [ 0.485126 0 0.85408 ] [ 0.419863 0.246065 0.093404 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "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" 10.78332713 "source-unit" "angstrom" } "b" { "source-value" 6.20275604 "source-unit" "angstrom" } "c" { "source-value" 9.93904137 "source-unit" "angstrom" } "beta" { "source-value" 90.92686233 "source-unit" "degree" } }