{ "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" [ [ 0.329414 0 0.104345 ] [ 0.003441 0 0.005476 ] [ 0.001258 0 0.505815 ] [ 0.665443 0 0.603278 ] [ 0.829414 0.5 0.104345 ] [ 0.503441 0.5 0.005476 ] [ 0.501258 0.5 0.505815 ] [ 0.165443 0.5 0.603278 ] [ 0.338363 0 0.514922 ] [ 0.666921 0 0.00058 ] [ 0.838363 0.5 0.514922 ] [ 0.166921 0.5 0.00058 ] [ 0.914514 0.254758 0.786277 ] [ 0.914514 0.745242 0.786277 ] [ 0.829959 0 0.286284 ] [ 0.414514 0.754758 0.786277 ] [ 0.414514 0.245242 0.786277 ] [ 0.329959 0.5 0.286284 ] [ 0.170411 0 0.782838 ] [ 0.084931 0.254685 0.285437 ] [ 0.084931 0.745315 0.285437 ] [ 0.670411 0.5 0.782838 ] [ 0.584931 0.754685 0.285437 ] [ 0.584931 0.245315 0.285437 ] [ 0.921407 0.250195 0.401592 ] [ 0.48044 0 0.656686 ] [ 0.330682 0 0.896079 ] [ 0.000811 0 0.691716 ] [ 0.003581 0 0.193406 ] [ 0.921407 0.749805 0.401592 ] [ 0.26174 0.777226 0.650497 ] [ 0.26174 0.222774 0.650497 ] [ 0.832638 0 0.90816 ] [ 0.16346 0 0.398537 ] [ 0.735716 0.778607 0.162905 ] [ 0.735716 0.221393 0.162905 ] [ 0.662008 0 0.390175 ] [ 0.082346 0.255694 0.907858 ] [ 0.519967 0 0.165089 ] [ 0.082346 0.744306 0.907858 ] [ 0.421407 0.750195 0.401592 ] [ 0.98044 0.5 0.656686 ] [ 0.830682 0.5 0.896079 ] [ 0.500811 0.5 0.691716 ] [ 0.503581 0.5 0.193406 ] [ 0.421407 0.249805 0.401592 ] [ 0.76174 0.277226 0.650497 ] [ 0.76174 0.722774 0.650497 ] [ 0.332638 0.5 0.90816 ] [ 0.66346 0.5 0.398537 ] [ 0.235716 0.278607 0.162905 ] [ 0.235716 0.721393 0.162905 ] [ 0.162008 0.5 0.390175 ] [ 0.582346 0.755694 0.907858 ] [ 0.019967 0.5 0.165089 ] [ 0.582346 0.244306 0.907858 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.17681286 "source-unit" "angstrom" } "b" { "source-value" 5.8827749 "source-unit" "angstrom" } "c" { "source-value" 9.44894493 "source-unit" "angstrom" } "beta" { "source-value" 90.03369483 "source-unit" "degree" } }