{ "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" [ [ 0.809099 0.050123 0.200207 ] [ 0.190901 0.550123 0.299793 ] [ 0.190901 0.949877 0.799793 ] [ 0.809099 0.449877 0.700207 ] [ 0.425664 0.336148 0.951142 ] [ 0.574336 0.663852 0.048858 ] [ 0.574336 0.836148 0.548858 ] [ 0.425664 0.163852 0.451142 ] [ 0.084795 0.27396 0.998729 ] [ 0.915205 0.77396 0.501271 ] [ 0.915205 0.72604 0.001271 ] [ 0.084795 0.22604 0.498729 ] [ 0.41023 0.885747 0.222361 ] [ 0.41023 0.614253 0.722361 ] [ 0.58977 0.114253 0.777639 ] [ 0.58977 0.385747 0.277639 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.51150994155 "source-unit" "angstrom" } "b" { "source-value" 7.20356974 "source-unit" "angstrom" } "c" { "source-value" 6.88912744421 "source-unit" "angstrom" } "beta" { "source-value" 97.5438413589 "source-unit" "degree" } }