{ "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" [ [ 0.324011 0 0.108043 ] [ 0.023345 0 0.014713 ] [ 0.018524 0 0.501241 ] [ 0.664129 0 0.595686 ] [ 0.824011 0.5 0.108043 ] [ 0.523345 0.5 0.014713 ] [ 0.518524 0.5 0.501241 ] [ 0.164129 0.5 0.595686 ] [ 0.331594 0 0.509072 ] [ 0.6569 0 0.019678 ] [ 0.831594 0.5 0.509072 ] [ 0.1569 0.5 0.019678 ] [ 0.168516 0 0.786616 ] [ 0.083007 0.256903 0.288047 ] [ 0.083007 0.743097 0.288047 ] [ 0.668516 0.5 0.786616 ] [ 0.583007 0.756903 0.288047 ] [ 0.583007 0.243097 0.288047 ] [ 0.91341 0.253886 0.787909 ] [ 0.91341 0.746114 0.787909 ] [ 0.829147 0 0.2895 ] [ 0.41341 0.753886 0.787909 ] [ 0.41341 0.246114 0.787909 ] [ 0.329147 0.5 0.2895 ] [ 0.916665 0.25091 0.407554 ] [ 0.482206 0 0.652997 ] [ 0.324606 0 0.899883 ] [ 0.006291 0 0.690252 ] [ 0.007188 0 0.201095 ] [ 0.916665 0.74909 0.407554 ] [ 0.262088 0.780235 0.644792 ] [ 0.262088 0.219765 0.644792 ] [ 0.831154 0 0.905409 ] [ 0.178149 0 0.403302 ] [ 0.734767 0.784259 0.149277 ] [ 0.734767 0.215741 0.149277 ] [ 0.657497 0 0.392113 ] [ 0.07947 0.258219 0.909656 ] [ 0.516571 0 0.14799 ] [ 0.07947 0.741781 0.909656 ] [ 0.416665 0.75091 0.407554 ] [ 0.982206 0.5 0.652997 ] [ 0.824606 0.5 0.899883 ] [ 0.506291 0.5 0.690252 ] [ 0.507188 0.5 0.201095 ] [ 0.416665 0.24909 0.407554 ] [ 0.762088 0.280235 0.644792 ] [ 0.762088 0.719765 0.644792 ] [ 0.331154 0.5 0.905409 ] [ 0.678149 0.5 0.403302 ] [ 0.234767 0.284259 0.149277 ] [ 0.234767 0.715741 0.149277 ] [ 0.157497 0.5 0.392113 ] [ 0.57947 0.758219 0.909656 ] [ 0.016571 0.5 0.14799 ] [ 0.57947 0.241781 0.909656 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 10.43417224 "source-unit" "angstrom" } "b" { "source-value" 6.11455869 "source-unit" "angstrom" } "c" { "source-value" 9.58827622 "source-unit" "angstrom" } "beta" { "source-value" 90.20340184 "source-unit" "degree" } }