{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.051379 0 0 ] [ 0.051379 0 0.5 ] [ 0.551379 0.5 0 ] [ 0.551379 0.5 0.5 ] [ 0.63114 0.871322 0.75 ] [ 0.63114 0.128678 0.25 ] [ 0.13114 0.371322 0.75 ] [ 0.13114 0.628678 0.25 ] [ 0.00454 0.329288 0.897383 ] [ 0.00454 0.329288 0.602617 ] [ 0.92901 0.966892 0.75 ] [ 0.00454 0.670712 0.397383 ] [ 0.00454 0.670712 0.102617 ] [ 0.92901 0.033108 0.25 ] [ 0.50454 0.829288 0.897383 ] [ 0.50454 0.829288 0.602617 ] [ 0.42901 0.466892 0.75 ] [ 0.50454 0.170712 0.397383 ] [ 0.50454 0.170712 0.102617 ] [ 0.42901 0.533108 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "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" 4.07193322 "source-unit" "angstrom" } "b" { "source-value" 6.68947908 "source-unit" "angstrom" } "c" { "source-value" 8.6060453 "source-unit" "angstrom" } }