{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.775957 0.693091 0.129849 ] [ 0.632073 0.194893 0.629699 ] [ 0.275957 0.306909 0.129849 ] [ 0.132073 0.805107 0.629699 ] [ 0.0075 0.307721 0.758154 ] [ 0.652024 0.196265 0.257372 ] [ 0.5075 0.692279 0.758154 ] [ 0.152024 0.803735 0.257372 ] [ 0.986461 0.770679 0.128919 ] [ 0.998171 0.577749 0.693503 ] [ 0.775333 0.37124 0.217368 ] [ 0.711076 0.923779 0.260448 ] [ 0.841125 0.236281 0.773429 ] [ 0.636061 0.262711 0.422357 ] [ 0.486461 0.229321 0.128919 ] [ 0.633647 0.712796 0.923129 ] [ 0.553104 0.870357 0.640284 ] [ 0.498171 0.422251 0.693503 ] [ 0.275333 0.62876 0.217368 ] [ 0.211076 0.076221 0.260448 ] [ 0.341125 0.763719 0.773429 ] [ 0.136061 0.737289 0.422357 ] [ 0.133647 0.287204 0.923129 ] [ 0.053104 0.129643 0.640284 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 8.73512496867 "source-unit" "angstrom" } "b" { "source-value" 5.3505523 "source-unit" "angstrom" } "c" { "source-value" 8.8032043416 "source-unit" "angstrom" } "beta" { "source-value" 107.756200416 "source-unit" "degree" } }