{ "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 0.110746 0.871898 ] [ 0.25 0.889254 0.128102 ] [ 0.75 0.610746 0.628102 ] [ 0.25 0.389254 0.371898 ] [ 0.25 0.171597 0.038724 ] [ 0.75 0.328403 0.538724 ] [ 0.25 0.671597 0.461276 ] [ 0.75 0.828403 0.961276 ] [ 0.25 0.476062 0.815752 ] [ 0.75 0.023938 0.315752 ] [ 0.25 0.976062 0.684248 ] [ 0.75 0.523938 0.184248 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2739906 "source-unit" "angstrom" } "b" { "source-value" 9.03710559 "source-unit" "angstrom" } "c" { "source-value" 11.27748786 "source-unit" "angstrom" } }