{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.120384 0.75 ] [ 0 0.879616 0.25 ] [ 0.5 0.591456 0.75 ] [ 0.5 0.408544 0.25 ] [ 0.215666 0.285144 0.453304 ] [ 0.784334 0.285144 0.046696 ] [ 0.784334 0.714856 0.546696 ] [ 0.215666 0.714856 0.953304 ] [ 0.664315 0.923644 0.629641 ] [ 0.335685 0.923644 0.870359 ] [ 0.335685 0.076356 0.370359 ] [ 0.664315 0.076356 0.129641 ] [ 0.714662 0.568551 0.08907 ] [ 0.285338 0.568551 0.41093 ] [ 0.285338 0.431449 0.91093 ] [ 0.714662 0.431449 0.58907 ] [ 0.297384 0.248363 0.636754 ] [ 0.702616 0.248363 0.863246 ] [ 0.702616 0.751637 0.363246 ] [ 0.297384 0.751637 0.136754 ] [ 0.042797 0.766982 0.602398 ] [ 0.957203 0.766982 0.897602 ] [ 0.957203 0.233018 0.397602 ] [ 0.042797 0.233018 0.102398 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Ga" "Ga" "Ga" "Ga" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.28953156692 "source-unit" "angstrom" } "b" { "source-value" 7.62052543 "source-unit" "angstrom" } "c" { "source-value" 13.3360447813 "source-unit" "angstrom" } "beta" { "source-value" 105.095015628 "source-unit" "degree" } }