{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.380741 0.432308 ] [ 0.25 0.619259 0.567692 ] [ 0.75 0.880741 0.067692 ] [ 0.25 0.119259 0.932308 ] [ 0.75 0.39757 0.812848 ] [ 0.25 0.60243 0.187152 ] [ 0.75 0.89757 0.687152 ] [ 0.25 0.10243 0.312848 ] [ 0.75 0.334008 0.128427 ] [ 0.25 0.665992 0.871573 ] [ 0.75 0.834008 0.371573 ] [ 0.25 0.165992 0.628427 ] [ 0.75 0.477999 0.129496 ] [ 0.25 0.522001 0.870504 ] [ 0.75 0.977999 0.370504 ] [ 0.25 0.022001 0.629496 ] [ 0.75 0.257 0.254628 ] [ 0.25 0.743 0.745372 ] [ 0.75 0.757 0.245372 ] [ 0.25 0.243 0.754628 ] [ 0.75 0.259183 0.999456 ] [ 0.25 0.740817 0.000544 ] [ 0.75 0.759183 0.500544 ] [ 0.25 0.240817 0.499456 ] [ 0.75 0.493196 0.614743 ] [ 0.25 0.506804 0.385257 ] [ 0.75 0.993196 0.885257 ] [ 0.25 0.006804 0.114743 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "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" 3.14697508 "source-unit" "angstrom" } "b" { "source-value" 9.39119601 "source-unit" "angstrom" } "c" { "source-value" 9.51381279 "source-unit" "angstrom" } }