{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnan" } "basis-atom-coordinates" { "source-value" [ [ 0.201853 0.201642 0.864285 ] [ 0.201853 0.298358 0.635715 ] [ 0.25 0.698159 0 ] [ 0.25 0.801841 0.5 ] [ 0.298147 0.298358 0.364285 ] [ 0.298147 0.201642 0.135715 ] [ 0.701853 0.701642 0.635715 ] [ 0.701853 0.798358 0.864285 ] [ 0.75 0.301841 0 ] [ 0.75 0.198159 0.5 ] [ 0.798147 0.798358 0.135715 ] [ 0.798147 0.701642 0.364285 ] [ 0.224354 0.75 0.75 ] [ 0.275646 0.75 0.25 ] [ 0.724354 0.25 0.75 ] [ 0.775646 0.25 0.25 ] [ 0.014195 0.457412 0.414377 ] [ 0.014195 0.042588 0.085623 ] [ 0.073876 0.430697 0.938567 ] [ 0.073876 0.069303 0.561433 ] [ 0.426124 0.069303 0.438567 ] [ 0.426124 0.430697 0.061433 ] [ 0.485805 0.457412 0.585623 ] [ 0.485805 0.042588 0.914377 ] [ 0.514195 0.957412 0.085623 ] [ 0.514195 0.542588 0.414377 ] [ 0.573876 0.569303 0.938567 ] [ 0.573876 0.930697 0.561433 ] [ 0.926124 0.569303 0.061433 ] [ 0.926124 0.930697 0.438567 ] [ 0.985805 0.957412 0.914377 ] [ 0.985805 0.542588 0.585623 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "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" 5.86185449 "source-unit" "angstrom" } "b" { "source-value" 5.90371238 "source-unit" "angstrom" } "c" { "source-value" 19.9950619 "source-unit" "angstrom" } }