{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.79894 0.930629 0.269482 ] [ 0.70106 0.430629 0.730518 ] [ 0.20106 0.069371 0.730518 ] [ 0.29894 0.569371 0.269482 ] [ 0.322003 0.793712 0.942382 ] [ 0.177997 0.293712 0.057618 ] [ 0.677997 0.206288 0.057618 ] [ 0.822003 0.706288 0.942382 ] [ 0.99195 0.33442 0.498287 ] [ 0.50805 0.83442 0.501713 ] [ 0.00805 0.66558 0.501713 ] [ 0.49195 0.16558 0.498287 ] [ 0.861399 0.00625 0.834362 ] [ 0.638601 0.50625 0.165638 ] [ 0.138601 0.99375 0.165638 ] [ 0.361399 0.49375 0.834362 ] [ 0.124572 0.80298 0.244223 ] [ 0.375428 0.30298 0.755777 ] [ 0.875428 0.19702 0.755777 ] [ 0.624572 0.69702 0.244223 ] [ 0.419385 0.030857 0.158459 ] [ 0.080615 0.530857 0.841541 ] [ 0.580615 0.969143 0.841541 ] [ 0.919385 0.469143 0.158459 ] [ 0.433481 0.632288 0.667108 ] [ 0.066519 0.132288 0.332892 ] [ 0.566519 0.367712 0.332892 ] [ 0.933481 0.867712 0.667108 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.70391314728 "source-unit" "angstrom" } "b" { "source-value" 12.86928009 "source-unit" "angstrom" } "c" { "source-value" 8.92463192777 "source-unit" "angstrom" } "beta" { "source-value" 114.269932774 "source-unit" "degree" } }