{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.73179 0.984843 0.274253 ] [ 0.26821 0.015157 0.725747 ] [ 0.79358 0.25 0.895031 ] [ 0.20642 0.75 0.104969 ] [ 0.26821 0.484843 0.725747 ] [ 0.73179 0.515157 0.274253 ] [ 0.788452 0.75 0.668122 ] [ 0.211548 0.25 0.331878 ] [ 0.73249 0.25 0.58873 ] [ 0.26751 0.75 0.41127 ] [ 0.678868 0.75 0.959087 ] [ 0.321132 0.25 0.040913 ] [ 0.502421 0.25 0.164692 ] [ 0.928102 0.75 0.932054 ] [ 0.163803 0.75 0.575508 ] [ 0.497579 0.75 0.835308 ] [ 0.16192 0.562318 0.305617 ] [ 0.836197 0.25 0.424492 ] [ 0.16192 0.937682 0.305617 ] [ 0.83808 0.437682 0.694383 ] [ 0.83808 0.062318 0.694383 ] [ 0.418148 0.25 0.567265 ] [ 0.606429 0.75 0.101194 ] [ 0.393571 0.25 0.898806 ] [ 0.581852 0.75 0.432735 ] [ 0.071898 0.25 0.067946 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "P" "P" "C" "C" "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" 4.99886117042 "source-unit" "angstrom" } "b" { "source-value" 6.42673009 "source-unit" "angstrom" } "c" { "source-value" 8.48772746479 "source-unit" "angstrom" } "beta" { "source-value" 96.1059965283 "source-unit" "degree" } }