{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.794557 0.140838 ] [ 0.25 0.705443 0.640838 ] [ 0.75 0.294557 0.359162 ] [ 0.25 0.205443 0.859162 ] [ 0.75 0.924949 0.782364 ] [ 0.75 0.853546 0.454795 ] [ 0.25 0.646454 0.954795 ] [ 0.25 0.575051 0.282364 ] [ 0.75 0.424949 0.717636 ] [ 0.75 0.353546 0.045205 ] [ 0.25 0.146454 0.545205 ] [ 0.25 0.075051 0.217636 ] [ 0.75 0.998212 0.59999 ] [ 0.75 0.939092 0.18349 ] [ 0.25 0.766603 0.13327 ] [ 0.25 0.807324 0.755284 ] [ 0.75 0.758154 0.993254 ] [ 0.25 0.741846 0.493254 ] [ 0.75 0.692676 0.255284 ] [ 0.75 0.733397 0.63327 ] [ 0.25 0.560908 0.68349 ] [ 0.25 0.501788 0.09999 ] [ 0.75 0.498212 0.90001 ] [ 0.75 0.439092 0.31651 ] [ 0.25 0.266603 0.36673 ] [ 0.25 0.307324 0.744716 ] [ 0.75 0.258154 0.506746 ] [ 0.25 0.241846 0.006746 ] [ 0.75 0.192676 0.244716 ] [ 0.75 0.233397 0.86673 ] [ 0.25 0.060908 0.81651 ] [ 0.25 0.001788 0.40001 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 3.90540938 "source-unit" "angstrom" } "b" { "source-value" 10.84936675 "source-unit" "angstrom" } "c" { "source-value" 11.07085468 "source-unit" "angstrom" } }