{ "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" [ [ 0.041317 0.897847 0.166958 ] [ 0.958683 0.397847 0.333042 ] [ 0.041317 0.602153 0.666958 ] [ 0.958683 0.102153 0.833042 ] [ 0.560929 0.072997 0.178404 ] [ 0.439071 0.572997 0.321596 ] [ 0.560929 0.427003 0.678404 ] [ 0.439071 0.927003 0.821596 ] [ 0.810136 0.651337 0.028391 ] [ 0.810136 0.848663 0.528391 ] [ 0.189864 0.151337 0.471609 ] [ 0.189864 0.348663 0.971609 ] [ 0.344819 0.218112 0.030767 ] [ 0.127825 0.689559 0.148284 ] [ 0.728857 0.043965 0.999467 ] [ 0.21143 0.426302 0.159868 ] [ 0.686648 0.570049 0.159034 ] [ 0.78857 0.926302 0.340132 ] [ 0.872175 0.189559 0.351716 ] [ 0.655181 0.718112 0.469233 ] [ 0.313352 0.070049 0.340966 ] [ 0.728857 0.456035 0.499467 ] [ 0.271143 0.543965 0.500533 ] [ 0.686648 0.929951 0.659034 ] [ 0.344819 0.281888 0.530767 ] [ 0.127825 0.810441 0.648284 ] [ 0.21143 0.073698 0.659868 ] [ 0.313352 0.429951 0.840966 ] [ 0.78857 0.573698 0.840132 ] [ 0.271143 0.956035 0.000533 ] [ 0.872175 0.310441 0.851716 ] [ 0.655181 0.781888 0.969233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 4.9805572 "source-unit" "angstrom" } "b" { "source-value" 10.33096283 "source-unit" "angstrom" } "c" { "source-value" 7.22058573 "source-unit" "angstrom" } "beta" { "source-value" 111.09778471 "source-unit" "degree" } }