{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.974807 0.046271 0.341135 ] [ 0.011401 0.376501 0.188468 ] [ 0.974807 0.953729 0.841135 ] [ 0.011401 0.623499 0.688468 ] [ 0.598619 0.248852 0.568076 ] [ 0.598619 0.751148 0.068076 ] [ 0.523165 0.673055 0.621777 ] [ 0.182787 0.194685 0.697711 ] [ 0.523165 0.326945 0.121777 ] [ 0.182787 0.805315 0.197711 ] [ 0.980239 0.737692 0.404475 ] [ 0.980239 0.262308 0.904475 ] [ 0.890255 0.77059 0.045254 ] [ 0.392167 0.328648 0.238976 ] [ 0.274714 0.65375 0.374788 ] [ 0.685298 0.495676 0.155103 ] [ 0.283504 0.241613 0.562373 ] [ 0.244818 0.986644 0.289673 ] [ 0.676702 0.167565 0.139138 ] [ 0.392167 0.671352 0.738976 ] [ 0.834523 0.818628 0.355052 ] [ 0.274714 0.34625 0.874788 ] [ 0.685298 0.504324 0.655103 ] [ 0.890255 0.22941 0.545254 ] [ 0.244818 0.013356 0.789673 ] [ 0.676702 0.832435 0.639138 ] [ 0.834523 0.181372 0.855052 ] [ 0.283504 0.758387 0.062373 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "H" "H" "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" 6.27238171 "source-unit" "angstrom" } "b" { "source-value" 7.55730296 "source-unit" "angstrom" } "c" { "source-value" 7.87920697 "source-unit" "angstrom" } "beta" { "source-value" 124.4783842 "source-unit" "degree" } }