{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.304785 0.25 ] [ 0.174533 0 0 ] [ 0.825467 0 0.5 ] [ 0 0.695215 0.75 ] [ 0.5 0.804785 0.25 ] [ 0.674533 0.5 0 ] [ 0.325467 0.5 0.5 ] [ 0.5 0.195215 0.75 ] [ 0 0.31605 0.75 ] [ 0 0.68395 0.25 ] [ 0.5 0.81605 0.75 ] [ 0.5 0.18395 0.25 ] [ 0.180731 0 0.5 ] [ 0.819269 0 0 ] [ 0.680731 0.5 0.5 ] [ 0.319269 0.5 0 ] [ 0.052603 0.166549 0.507639 ] [ 0.947397 0.166549 0.992361 ] [ 0.300453 0.993397 0.700804 ] [ 0.699547 0.993397 0.799196 ] [ 0.699547 0.006603 0.200804 ] [ 0.300453 0.006603 0.299196 ] [ 0.052603 0.833451 0.492361 ] [ 0.947397 0.833451 0.007639 ] [ 0.552603 0.666549 0.507639 ] [ 0.447397 0.666549 0.992361 ] [ 0.800453 0.493397 0.700804 ] [ 0.199547 0.493397 0.799196 ] [ 0.199547 0.506603 0.200804 ] [ 0.800453 0.506603 0.299196 ] [ 0.552603 0.333451 0.492361 ] [ 0.447397 0.333451 0.007639 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 6.99711058 "source-unit" "angstrom" } "b" { "source-value" 7.25322904 "source-unit" "angstrom" } "c" { "source-value" 6.17436845 "source-unit" "angstrom" } }