{ "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" [ [ 0.01109 0.32708 0.174162 ] [ 0.01109 0.17292 0.674162 ] [ 0.245541 0.170264 0.419819 ] [ 0.245541 0.329736 0.919819 ] [ 0.754459 0.670264 0.080181 ] [ 0.754459 0.829736 0.580181 ] [ 0.98891 0.82708 0.325838 ] [ 0.98891 0.67292 0.825838 ] [ 0.503076 0.184207 0.167575 ] [ 0.496924 0.684207 0.332425 ] [ 0.503076 0.315793 0.667575 ] [ 0.496924 0.815793 0.832425 ] [ 0.235093 0.824246 0.079566 ] [ 0.235093 0.675754 0.579566 ] [ 0.764907 0.324246 0.420434 ] [ 0.764907 0.175754 0.920434 ] [ 0.025773 0.685638 0.164642 ] [ 0.025773 0.814362 0.664642 ] [ 0.256483 0.180779 0.083715 ] [ 0.256483 0.319221 0.583715 ] [ 0.289571 0.801584 0.420023 ] [ 0.48758 0.346646 0.310522 ] [ 0.289571 0.698416 0.920023 ] [ 0.48758 0.153354 0.810522 ] [ 0.51242 0.846646 0.189478 ] [ 0.710429 0.301584 0.079977 ] [ 0.51242 0.653354 0.689478 ] [ 0.710429 0.198416 0.579977 ] [ 0.743517 0.680779 0.416285 ] [ 0.743517 0.819221 0.916285 ] [ 0.974227 0.185638 0.335358 ] [ 0.974227 0.314362 0.835358 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 6.29633055 "source-unit" "angstrom" } "b" { "source-value" 5.42030653 "source-unit" "angstrom" } "c" { "source-value" 10.91610186 "source-unit" "angstrom" } "beta" { "source-value" 91.29288249 "source-unit" "degree" } }