{ "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" [ [ 0.192345 0.183091 0.240309 ] [ 0.307655 0.683091 0.259691 ] [ 0.807655 0.816909 0.759691 ] [ 0.692345 0.316909 0.740309 ] [ 0.60183 0.405045 0.128742 ] [ 0.89817 0.905045 0.371258 ] [ 0.39817 0.594955 0.871258 ] [ 0.10183 0.094955 0.628742 ] [ 0.916156 0.573797 0.247815 ] [ 0.434735 0.174617 0.905549 ] [ 0.065265 0.674617 0.594451 ] [ 0.565265 0.825383 0.094451 ] [ 0.934735 0.325383 0.405549 ] [ 0.343674 0.894467 0.48895 ] [ 0.156326 0.394467 0.01105 ] [ 0.656326 0.105533 0.51105 ] [ 0.843674 0.605533 0.98895 ] [ 0.583844 0.073797 0.252185 ] [ 0.083844 0.426203 0.752185 ] [ 0.416156 0.926203 0.747815 ] [ 0.482812 0.323815 0.405191 ] [ 0.017188 0.823815 0.094809 ] [ 0.517188 0.676185 0.594809 ] [ 0.982812 0.176185 0.905191 ] [ 0.720847 0.530349 0.441788 ] [ 0.779153 0.030349 0.058212 ] [ 0.279153 0.469651 0.558212 ] [ 0.220847 0.969651 0.941788 ] [ 0.467239 0.205365 0.28231 ] [ 0.494071 0.670876 0.080564 ] [ 0.005929 0.170876 0.419436 ] [ 0.505929 0.329124 0.919436 ] [ 0.994071 0.829124 0.580564 ] [ 0.246202 0.440079 0.123342 ] [ 0.253798 0.940079 0.376658 ] [ 0.753798 0.559921 0.876658 ] [ 0.032761 0.705365 0.21769 ] [ 0.746202 0.059921 0.623342 ] [ 0.967239 0.294635 0.78231 ] [ 0.532761 0.794635 0.71769 ] [ 0.829125 0.532116 0.116541 ] [ 0.670875 0.032116 0.383459 ] [ 0.170875 0.467884 0.883459 ] [ 0.329125 0.967884 0.616541 ] [ 0.990691 0.418625 0.297609 ] [ 0.509309 0.918625 0.202391 ] [ 0.009309 0.581375 0.702391 ] [ 0.490691 0.081375 0.797609 ] [ 0.809421 0.637733 0.350499 ] [ 0.690579 0.137733 0.149501 ] [ 0.190579 0.362267 0.649501 ] [ 0.309421 0.862267 0.850499 ] [ 0.581185 0.466122 0.362782 ] [ 0.918815 0.966122 0.137218 ] [ 0.418815 0.533878 0.637218 ] [ 0.081185 0.033878 0.862782 ] [ 0.323987 0.383919 0.42698 ] [ 0.176013 0.883919 0.07302 ] [ 0.676013 0.616081 0.57302 ] [ 0.32023 0.117081 0.987868 ] [ 0.549798 0.234209 0.527076 ] [ 0.950202 0.734209 0.972924 ] [ 0.450202 0.765791 0.472924 ] [ 0.049798 0.265791 0.027076 ] [ 0.82023 0.382919 0.487868 ] [ 0.67977 0.882919 0.012132 ] [ 0.17977 0.617081 0.512132 ] [ 0.823987 0.116081 0.92698 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cd" "Cd" "Cd" "Cd" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 8.70857804775 "source-unit" "angstrom" } "b" { "source-value" 7.98028698 "source-unit" "angstrom" } "c" { "source-value" 9.63746191222 "source-unit" "angstrom" } "beta" { "source-value" 92.050719648 "source-unit" "degree" } }