{ "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" [ [ 0.55647 0.272005 0.387517 ] [ 0.44353 0.772005 0.112483 ] [ 0.44353 0.727995 0.612483 ] [ 0.55647 0.227995 0.887517 ] [ 0.056474 0.761064 0.362444 ] [ 0.943526 0.261064 0.137556 ] [ 0.943526 0.238936 0.637556 ] [ 0.056474 0.738936 0.862444 ] [ 0.856323 0.749712 0.757159 ] [ 0.143677 0.249712 0.742841 ] [ 0.143677 0.250288 0.242841 ] [ 0.856323 0.750288 0.257159 ] [ 0.356237 0.254454 0.492504 ] [ 0.643763 0.754454 0.007496 ] [ 0.643763 0.745546 0.507496 ] [ 0.356237 0.245546 0.992504 ] [ 0.41866 0.743859 0.823441 ] [ 0.58134 0.243859 0.676559 ] [ 0.58134 0.256141 0.176559 ] [ 0.41866 0.756141 0.323441 ] [ 0.918934 0.248542 0.926364 ] [ 0.081066 0.748542 0.573636 ] [ 0.081066 0.751458 0.073636 ] [ 0.918934 0.251458 0.426364 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.96278819413 "source-unit" "angstrom" } "b" { "source-value" 4.34286089 "source-unit" "angstrom" } "c" { "source-value" 16.3137109277 "source-unit" "angstrom" } "beta" { "source-value" 90.0837039297 "source-unit" "degree" } }