{ "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" [ [ 0.672005 0 0.890274 ] [ 0.999662 0 0.995221 ] [ 0.992368 0 0.49681 ] [ 0.331249 0 0.393504 ] [ 0.172005 0.5 0.890274 ] [ 0.499662 0.5 0.995221 ] [ 0.492368 0.5 0.49681 ] [ 0.831249 0.5 0.393504 ] [ 0.085419 0.253007 0.214461 ] [ 0.085419 0.746993 0.214461 ] [ 0.16773 0 0.711719 ] [ 0.585419 0.753007 0.214461 ] [ 0.585419 0.246993 0.214461 ] [ 0.66773 0.5 0.711719 ] [ 0.831578 0 0.21184 ] [ 0.915863 0.256674 0.71361 ] [ 0.915863 0.743326 0.71361 ] [ 0.331578 0.5 0.21184 ] [ 0.415863 0.756674 0.71361 ] [ 0.415863 0.243326 0.71361 ] [ 0.665237 0 0.486394 ] [ 0.340112 0 0.982518 ] [ 0.165237 0.5 0.486394 ] [ 0.840112 0.5 0.982518 ] [ 0.080727 0.241648 0.603574 ] [ 0.51773 0 0.335235 ] [ 0.670131 0 0.106296 ] [ 0.997032 0 0.309196 ] [ 0.998246 0 0.808249 ] [ 0.080727 0.758352 0.603574 ] [ 0.732798 0.775897 0.345199 ] [ 0.732798 0.224103 0.345199 ] [ 0.166904 0 0.106819 ] [ 0.831914 0 0.601806 ] [ 0.262295 0.783213 0.836735 ] [ 0.262295 0.216787 0.836735 ] [ 0.332518 0 0.605617 ] [ 0.927769 0.254533 0.098519 ] [ 0.485278 0 0.841835 ] [ 0.927769 0.745467 0.098519 ] [ 0.580727 0.741648 0.603574 ] [ 0.01773 0.5 0.335235 ] [ 0.170131 0.5 0.106296 ] [ 0.497032 0.5 0.309196 ] [ 0.498246 0.5 0.808249 ] [ 0.580727 0.258352 0.603574 ] [ 0.232798 0.275897 0.345199 ] [ 0.232798 0.724103 0.345199 ] [ 0.666904 0.5 0.106819 ] [ 0.331914 0.5 0.601806 ] [ 0.762295 0.283213 0.836735 ] [ 0.762295 0.716787 0.836735 ] [ 0.832518 0.5 0.605617 ] [ 0.427769 0.754533 0.098519 ] [ 0.985278 0.5 0.841835 ] [ 0.427769 0.245467 0.098519 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "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" 10.16018873 "source-unit" "angstrom" } "b" { "source-value" 5.98015931 "source-unit" "angstrom" } "c" { "source-value" 9.58415797 "source-unit" "angstrom" } "beta" { "source-value" 90.3782161 "source-unit" "degree" } }