{ "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" [ [ 0.637181 0.581272 0.301021 ] [ 0.362819 0.081272 0.198979 ] [ 0.637181 0.918728 0.801021 ] [ 0.362819 0.418728 0.698979 ] [ 0.905542 0.304094 0.955917 ] [ 0.905542 0.195906 0.455917 ] [ 0.094458 0.804094 0.544083 ] [ 0.094458 0.695906 0.044083 ] [ 0.105316 0.070672 0.765741 ] [ 0.894684 0.929328 0.234259 ] [ 0.894684 0.570672 0.734259 ] [ 0.105316 0.429328 0.265741 ] [ 0.373183 0.816796 0.470888 ] [ 0.626817 0.183204 0.529112 ] [ 0.626817 0.316796 0.029112 ] [ 0.373183 0.683204 0.970888 ] [ 0.966513 0.376068 0.368521 ] [ 0.112034 0.161465 0.623134 ] [ 0.112034 0.338535 0.123134 ] [ 0.032686 0.567034 0.21355 ] [ 0.712856 0.563519 0.649617 ] [ 0.287144 0.436481 0.350383 ] [ 0.887966 0.838535 0.376866 ] [ 0.887966 0.661465 0.876866 ] [ 0.033487 0.623932 0.631479 ] [ 0.033487 0.876068 0.131479 ] [ 0.966513 0.123932 0.868521 ] [ 0.967314 0.432966 0.78645 ] [ 0.967314 0.067034 0.28645 ] [ 0.712856 0.936481 0.149617 ] [ 0.287144 0.063519 0.850383 ] [ 0.032686 0.932966 0.71355 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "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" 7.36784395514 "source-unit" "angstrom" } "b" { "source-value" 9.81872415 "source-unit" "angstrom" } "c" { "source-value" 8.50137272421 "source-unit" "angstrom" } "beta" { "source-value" 95.689397928 "source-unit" "degree" } }