{ "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" [ [ 0.164754 0.639546 0.339831 ] [ 0.335246 0.139546 0.160169 ] [ 0.835246 0.360454 0.660169 ] [ 0.664754 0.860454 0.839831 ] [ 0.601607 0.572986 0.196796 ] [ 0.898393 0.072986 0.303204 ] [ 0.398393 0.427014 0.803204 ] [ 0.101607 0.927014 0.696796 ] [ 0.794007 0.338525 0.081536 ] [ 0.705993 0.838525 0.418464 ] [ 0.205993 0.661475 0.918464 ] [ 0.294007 0.161475 0.581536 ] [ 0.120973 0.81566 0.977251 ] [ 0.712228 0.840348 0.228999 ] [ 0.287772 0.159652 0.771001 ] [ 0.212228 0.659652 0.728999 ] [ 0.783107 0.994353 0.540414 ] [ 0.716893 0.494353 0.959586 ] [ 0.216893 0.005647 0.459586 ] [ 0.283107 0.505647 0.040414 ] [ 0.879027 0.18434 0.022749 ] [ 0.620973 0.68434 0.477251 ] [ 0.787772 0.340348 0.271001 ] [ 0.379027 0.31566 0.522749 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 6.59112414261 "source-unit" "angstrom" } "b" { "source-value" 7.19515744 "source-unit" "angstrom" } "c" { "source-value" 7.30667500998 "source-unit" "angstrom" } "beta" { "source-value" 114.154772426 "source-unit" "degree" } }