{ "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" [ [ 0.712072 0.931342 0.224349 ] [ 0.787928 0.431342 0.775651 ] [ 0.287928 0.068658 0.775651 ] [ 0.212072 0.568658 0.224349 ] [ 0.986388 0.835481 0.998802 ] [ 0.513612 0.335481 0.001198 ] [ 0.013612 0.164519 0.001198 ] [ 0.486388 0.664519 0.998802 ] [ 0.188544 0.787822 0.558872 ] [ 0.311456 0.287822 0.441128 ] [ 0.811456 0.212178 0.441128 ] [ 0.688544 0.712178 0.558872 ] [ 0.371151 0.991962 0.340108 ] [ 0.128849 0.491962 0.659892 ] [ 0.628849 0.008038 0.659892 ] [ 0.871151 0.508038 0.340108 ] [ 0.37975 0.809094 0.241899 ] [ 0.12025 0.309094 0.758101 ] [ 0.62025 0.190906 0.758101 ] [ 0.87975 0.690906 0.241899 ] [ 0.096024 0.02891 0.345891 ] [ 0.403976 0.52891 0.654109 ] [ 0.903976 0.97109 0.654109 ] [ 0.596024 0.47109 0.345891 ] [ 0.430273 0.128814 0.17191 ] [ 0.069727 0.628814 0.82809 ] [ 0.569727 0.871186 0.82809 ] [ 0.930273 0.371186 0.17191 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.05192849826 "source-unit" "angstrom" } "b" { "source-value" 13.02613057 "source-unit" "angstrom" } "c" { "source-value" 9.22906633013 "source-unit" "angstrom" } "beta" { "source-value" 115.845624485 "source-unit" "degree" } }