{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.136158 0.658818 0.067481 ] [ 0.863842 0.158818 0.932519 ] [ 0.359502 0.156678 0.085116 ] [ 0.310911 0.685552 0.596644 ] [ 0.689089 0.185552 0.403356 ] [ 0.640498 0.656678 0.914884 ] [ 0.13133 0.028824 0.392638 ] [ 0.657915 0.810372 0.233938 ] [ 0.342085 0.310372 0.766062 ] [ 0.86867 0.528824 0.607362 ] [ 0.4536 0.385758 0.383281 ] [ 0.114563 0.919452 0.762635 ] [ 0.885437 0.419452 0.237365 ] [ 0.5464 0.885758 0.616719 ] [ 0.522175 0.223962 0.932385 ] [ 0.18604 0.783807 0.397018 ] [ 0.874946 0.001742 0.367723 ] [ 0.550858 0.045169 0.233137 ] [ 0.477825 0.723962 0.067615 ] [ 0.125054 0.501742 0.632277 ] [ 0.449142 0.545169 0.766863 ] [ 0.800576 0.821887 0.057723 ] [ 0.199424 0.321887 0.942277 ] [ 0.84604 0.546779 0.831917 ] [ 0.15396 0.046779 0.168083 ] [ 0.81396 0.283807 0.602982 ] ] } "species" { "source-value" [ "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "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" 7.52783845694 "source-unit" "angstrom" } "b" { "source-value" 7.57540806 "source-unit" "angstrom" } "c" { "source-value" 8.37710869546 "source-unit" "angstrom" } "beta" { "source-value" 97.3597920546 "source-unit" "degree" } }