{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.173451 0.710216 0.67141 ] [ 0.326549 0.710216 0.17141 ] [ 0.673451 0.210216 0.82859 ] [ 0.826549 0.210216 0.32859 ] [ 0.17579 0.961471 0.915374 ] [ 0.32421 0.961471 0.415374 ] [ 0.67579 0.461471 0.584626 ] [ 0.82421 0.461471 0.084626 ] [ 0.171607 0.207769 0.664881 ] [ 0.328393 0.207769 0.164881 ] [ 0.671607 0.707769 0.835119 ] [ 0.828393 0.707769 0.335119 ] [ 0.148767 0.737307 0.336146 ] [ 0.219647 0.179568 0.307328 ] [ 0.190545 0.42243 0.109105 ] [ 0.243657 0.99565 0.584027 ] [ 0.256343 0.99565 0.084027 ] [ 0.309455 0.42243 0.609105 ] [ 0.280353 0.179568 0.807328 ] [ 0.351233 0.737307 0.836146 ] [ 0.648767 0.237307 0.163854 ] [ 0.719647 0.679568 0.192672 ] [ 0.690545 0.92243 0.390895 ] [ 0.743657 0.49565 0.915973 ] [ 0.756343 0.49565 0.415973 ] [ 0.809455 0.92243 0.890895 ] [ 0.780353 0.679568 0.692672 ] [ 0.851233 0.237307 0.663854 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.10122843 "source-unit" "angstrom" } "b" { "source-value" 6.38102818 "source-unit" "angstrom" } "c" { "source-value" 10.84451042 "source-unit" "angstrom" } }