{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.742678 0.256497 0.063435 ] [ 0.242678 0.243503 0.563435 ] [ 0.242678 0.743503 0.936565 ] [ 0.742678 0.756497 0.436565 ] [ 0.499544 0.755334 0.145149 ] [ 0.999544 0.744666 0.645149 ] [ 0.999544 0.244666 0.854851 ] [ 0.499544 0.255334 0.354851 ] [ 0.500051 0.244877 0.855145 ] [ 0.000051 0.255123 0.355145 ] [ 0.988589 0.496453 0.750831 ] [ 0.488589 0.503547 0.249169 ] [ 0.500051 0.744877 0.644855 ] [ 0.488589 0.003547 0.250831 ] [ 0.988589 0.996453 0.749169 ] [ 0.000051 0.755123 0.144855 ] [ 0.247249 0.994157 0.357329 ] [ 0.257568 0.746404 0.750867 ] [ 0.257568 0.246404 0.749133 ] [ 0.747249 0.505843 0.857329 ] [ 0.747044 0.983601 0.855318 ] [ 0.249277 0.741129 0.540037 ] [ 0.757568 0.253596 0.249133 ] [ 0.749277 0.758871 0.040037 ] [ 0.747044 0.483601 0.644682 ] [ 0.749277 0.258871 0.459963 ] [ 0.247044 0.516399 0.355318 ] [ 0.747249 0.005843 0.642671 ] [ 0.249277 0.241129 0.959963 ] [ 0.247249 0.494157 0.142671 ] [ 0.757568 0.753596 0.250867 ] [ 0.247044 0.016399 0.144682 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ta" "Ta" "Ta" "Ta" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02425557 "source-unit" "angstrom" } "b" { "source-value" 8.25062573 "source-unit" "angstrom" } "c" { "source-value" 20.49239306 "source-unit" "angstrom" } }