{ "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" [ [ 0.999063 0.792784 0.108461 ] [ 0.000937 0.292784 0.391539 ] [ 0.000937 0.207216 0.891539 ] [ 0.999063 0.707216 0.608461 ] [ 0.261804 0.681335 0.861074 ] [ 0.738196 0.181335 0.638926 ] [ 0.738196 0.318665 0.138926 ] [ 0.261804 0.818665 0.361074 ] [ 0.500479 0.343517 0.412899 ] [ 0.499521 0.656483 0.587101 ] [ 0.500479 0.156483 0.912899 ] [ 0.499521 0.843517 0.087101 ] [ 0.720295 0.844541 0.340577 ] [ 0.279705 0.344541 0.159423 ] [ 0.279705 0.155459 0.659423 ] [ 0.720295 0.655459 0.840577 ] [ 0.54658 0.832141 0.926345 ] [ 0.45342 0.332141 0.573655 ] [ 0.45342 0.167859 0.073655 ] [ 0.54658 0.667859 0.426345 ] [ 0.313519 0.685813 0.1254 ] [ 0.313519 0.814187 0.6254 ] [ 0.686481 0.185813 0.3746 ] [ 0.686481 0.314187 0.8746 ] [ 0.684567 0.716663 0.670588 ] [ 0.315433 0.216663 0.829412 ] [ 0.315433 0.283337 0.329412 ] [ 0.684567 0.783337 0.170588 ] [ 0.948015 0.762239 0.378112 ] [ 0.051985 0.262239 0.121888 ] [ 0.051985 0.237761 0.621888 ] [ 0.948015 0.737761 0.878112 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Be" "Be" "Be" "Be" "Ge" "Ge" "Ge" "Ge" "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" 7.28374919102 "source-unit" "angstrom" } "b" { "source-value" 5.08670348 "source-unit" "angstrom" } "c" { "source-value" 10.252948025 "source-unit" "angstrom" } "beta" { "source-value" 90.4332406309 "source-unit" "degree" } }