{ "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" [ [ 0.356725 0.31853 0.926379 ] [ 0.948632 0.628306 0.847413 ] [ 0.364162 0.809106 0.805348 ] [ 0.635838 0.309106 0.694652 ] [ 0.051368 0.128306 0.652587 ] [ 0.643275 0.81853 0.573621 ] [ 0.356725 0.18147 0.426379 ] [ 0.948632 0.871694 0.347413 ] [ 0.364162 0.690894 0.305348 ] [ 0.635838 0.190894 0.194652 ] [ 0.051368 0.371694 0.152587 ] [ 0.643275 0.68147 0.073621 ] [ 0.846133 0.08147 0.936336 ] [ 0.153867 0.58147 0.563664 ] [ 0.846133 0.41853 0.436336 ] [ 0.153867 0.91853 0.063664 ] [ 0.758551 0.328779 0.959833 ] [ 0.096597 0.048893 0.906753 ] [ 0.703686 0.944357 0.821376 ] [ 0.296314 0.444357 0.678624 ] [ 0.903403 0.548893 0.593247 ] [ 0.241449 0.828779 0.540167 ] [ 0.758551 0.171221 0.459833 ] [ 0.096597 0.451107 0.406753 ] [ 0.703686 0.555643 0.321376 ] [ 0.296314 0.055643 0.178624 ] [ 0.903403 0.951107 0.093247 ] [ 0.241449 0.671221 0.040167 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "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" 7.71717094 "source-unit" "angstrom" } "b" { "source-value" 7.01629294 "source-unit" "angstrom" } "c" { "source-value" 11.17876426 "source-unit" "angstrom" } "beta" { "source-value" 95.5605044 "source-unit" "degree" } }