{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.655558 0.85539 ] [ 0 0.344442 0.14461 ] [ 0.5 0.655558 0.14461 ] [ 0.5 0.344442 0.85539 ] [ 0.5 0.155558 0.35539 ] [ 0.5 0.844442 0.64461 ] [ 0 0.155558 0.64461 ] [ 0 0.844442 0.35539 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0.5 0.16616 0.07805 ] [ 0.5 0.83384 0.92195 ] [ 0 0.16616 0.92195 ] [ 0 0.83384 0.07805 ] [ 0.5 0.338701 0.129384 ] [ 0.5 0.661299 0.870616 ] [ 0 0.661299 0.129384 ] [ 0 0.338701 0.870616 ] [ 0 0.66616 0.57805 ] [ 0 0.33384 0.42195 ] [ 0.5 0.66616 0.42195 ] [ 0.5 0.33384 0.57805 ] [ 0 0.838701 0.629384 ] [ 0 0.161299 0.370616 ] [ 0.5 0.161299 0.629384 ] [ 0.5 0.838701 0.370616 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99445413 "source-unit" "angstrom" } "b" { "source-value" 7.45983909 "source-unit" "angstrom" } "c" { "source-value" 9.49887054 "source-unit" "angstrom" } }