{ "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" [ [ 0.227033 0.999489 0.497373 ] [ 0.772967 0.499489 0.002627 ] [ 0.227033 0.500511 0.997373 ] [ 0.772967 0.000511 0.502627 ] [ 0.982704 0.327885 0.665449 ] [ 0.017296 0.827885 0.834551 ] [ 0.51205 0.831585 0.180707 ] [ 0.48795 0.331585 0.319293 ] [ 0.982704 0.172115 0.165449 ] [ 0.51205 0.668415 0.680707 ] [ 0.017296 0.672115 0.334551 ] [ 0.48795 0.168415 0.819293 ] [ 0.503087 0.359887 0.097486 ] [ 0.244366 0.684148 0.166835 ] [ 0.012658 0.10478 0.651983 ] [ 0.254019 0.160956 0.311228 ] [ 0.503087 0.140113 0.597486 ] [ 0.987342 0.89522 0.348017 ] [ 0.244366 0.815852 0.666835 ] [ 0.745981 0.660956 0.188772 ] [ 0.254019 0.339044 0.811228 ] [ 0.987342 0.60478 0.848017 ] [ 0.745981 0.839044 0.688772 ] [ 0.012658 0.39522 0.151983 ] [ 0.496913 0.640113 0.902514 ] [ 0.755634 0.315852 0.833165 ] [ 0.496913 0.859887 0.402514 ] [ 0.755634 0.184148 0.333165 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 5.87809206276 "source-unit" "angstrom" } "b" { "source-value" 8.80255375 "source-unit" "angstrom" } "c" { "source-value" 8.76092154838 "source-unit" "angstrom" } "beta" { "source-value" 91.6930434303 "source-unit" "degree" } }