{ "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" [ [ 0.357328 0.940501 0.094956 ] [ 0.642672 0.440501 0.405044 ] [ 0.357328 0.559499 0.594956 ] [ 0.642672 0.059499 0.905044 ] [ 0.879623 0.763563 0.7412 ] [ 0.120377 0.263563 0.7588 ] [ 0.879623 0.736437 0.2412 ] [ 0.120377 0.236437 0.2588 ] [ 0.281076 0.634759 0.185184 ] [ 0.718924 0.134759 0.314816 ] [ 0.281076 0.865241 0.685184 ] [ 0.718924 0.365241 0.814816 ] [ 0.080561 0.762223 0.071448 ] [ 0.774881 0.485515 0.697034 ] [ 0.529704 0.640611 0.19704 ] [ 0.470296 0.140611 0.30296 ] [ 0.919439 0.262223 0.428552 ] [ 0.774881 0.014485 0.197034 ] [ 0.225119 0.985515 0.802966 ] [ 0.080561 0.737777 0.571448 ] [ 0.529704 0.859389 0.69704 ] [ 0.470296 0.359389 0.80296 ] [ 0.225119 0.514485 0.302966 ] [ 0.919439 0.237777 0.928552 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "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" 5.6509092 "source-unit" "angstrom" } "b" { "source-value" 7.43355871 "source-unit" "angstrom" } "c" { "source-value" 7.43735277 "source-unit" "angstrom" } "beta" { "source-value" 119.03023393 "source-unit" "degree" } }