{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.155089 0.503421 0.747303 ] [ 0.155089 0.996579 0.247303 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.844911 0.003421 0.752697 ] [ 0.844911 0.496579 0.252697 ] [ 0.362213 0.006189 0.631049 ] [ 0.362213 0.493811 0.131049 ] [ 0.637787 0.506189 0.868951 ] [ 0.637787 0.993811 0.368951 ] [ 0.097466 0.845871 0.686812 ] [ 0.097466 0.654129 0.186812 ] [ 0.221783 0.324381 0.580273 ] [ 0.221783 0.175619 0.080273 ] [ 0.353615 0.648708 0.93151 ] [ 0.353615 0.851292 0.43151 ] [ 0.459131 0.191101 0.817403 ] [ 0.459131 0.308899 0.317403 ] [ 0.540869 0.691101 0.682597 ] [ 0.540869 0.808899 0.182597 ] [ 0.646385 0.148708 0.56849 ] [ 0.646385 0.351292 0.06849 ] [ 0.778217 0.824381 0.919727 ] [ 0.778217 0.675619 0.419727 ] [ 0.902534 0.345871 0.813188 ] [ 0.902534 0.154129 0.313188 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.91305346 "source-unit" "angstrom" } "b" { "source-value" 5.17528759 "source-unit" "angstrom" } "c" { "source-value" 9.64099963 "source-unit" "angstrom" } "beta" { "source-value" 94.61589516 "source-unit" "degree" } }