{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.250649 0.925653 0.552859 ] [ 0.249351 0.425653 0.947141 ] [ 0.250649 0.074347 0.052859 ] [ 0.249351 0.574347 0.447141 ] [ 0.750649 0.425653 0.552859 ] [ 0.749351 0.925653 0.947141 ] [ 0.750649 0.574347 0.052859 ] [ 0.749351 0.074347 0.447141 ] [ 0.111076 0.24997 0.578775 ] [ 0.888924 0.24997 0.921225 ] [ 0.611076 0.25003 0.078775 ] [ 0.388924 0.25003 0.421225 ] [ 0.611076 0.74997 0.578775 ] [ 0.388924 0.74997 0.921225 ] [ 0.111076 0.75003 0.078775 ] [ 0.888924 0.75003 0.421225 ] [ 0 0.465816 0.75 ] [ 0.5 0.034184 0.25 ] [ 0.142713 0.895796 0.752025 ] [ 0.857287 0.895796 0.747975 ] [ 0.642713 0.604204 0.252025 ] [ 0.357287 0.604204 0.247975 ] [ 0.5 0.965816 0.75 ] [ 0 0.534184 0.25 ] [ 0.642713 0.395796 0.752025 ] [ 0.357287 0.395796 0.747975 ] [ 0.142713 0.104204 0.252025 ] [ 0.857287 0.104204 0.247975 ] [ 0.428785 0.93697 0.069775 ] [ 0.03586 0.164201 0.077777 ] [ 0.086829 0.364533 0.752578 ] [ 0.338021 0.634449 0.056427 ] [ 0.428785 0.06303 0.569775 ] [ 0.913171 0.364533 0.747422 ] [ 0.155861 0.07435 0.756409 ] [ 0.23551 0.826517 0.741484 ] [ 0.844139 0.07435 0.743591 ] [ 0.661979 0.634449 0.443573 ] [ 0.23551 0.173483 0.241484 ] [ 0.46414 0.664201 0.422223 ] [ 0.03586 0.835799 0.577777 ] [ 0.26449 0.326517 0.758516 ] [ 0.838021 0.865551 0.556427 ] [ 0.655861 0.42565 0.256409 ] [ 0.26449 0.673483 0.258516 ] [ 0.344139 0.42565 0.243591 ] [ 0.586829 0.135467 0.252578 ] [ 0.071215 0.43697 0.430225 ] [ 0.161979 0.865551 0.943573 ] [ 0.413171 0.135467 0.247422 ] [ 0.46414 0.335799 0.922223 ] [ 0.071215 0.56303 0.930225 ] [ 0.928785 0.43697 0.069775 ] [ 0.53586 0.664201 0.077777 ] [ 0.586829 0.864533 0.752578 ] [ 0.838021 0.134449 0.056427 ] [ 0.928785 0.56303 0.569775 ] [ 0.413171 0.864533 0.747422 ] [ 0.655861 0.57435 0.756409 ] [ 0.73551 0.326517 0.741484 ] [ 0.344139 0.57435 0.743591 ] [ 0.161979 0.134449 0.443573 ] [ 0.73551 0.673483 0.241484 ] [ 0.96414 0.164201 0.422223 ] [ 0.53586 0.335799 0.577777 ] [ 0.76449 0.826517 0.758516 ] [ 0.338021 0.365551 0.556427 ] [ 0.155861 0.92565 0.256409 ] [ 0.76449 0.173483 0.258516 ] [ 0.844139 0.92565 0.243591 ] [ 0.086829 0.635467 0.252578 ] [ 0.571215 0.93697 0.430225 ] [ 0.661979 0.365551 0.943573 ] [ 0.913171 0.635467 0.247422 ] [ 0.96414 0.835799 0.922223 ] [ 0.571215 0.06303 0.930225 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 14.9059479 "source-unit" "angstrom" } "b" { "source-value" 8.6765081 "source-unit" "angstrom" } "c" { "source-value" 8.69399176 "source-unit" "angstrom" } "beta" { "source-value" 125.57347681 "source-unit" "degree" } }