{ "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" [ [ 0.667023 0.712176 0.585537 ] [ 0.167023 0.787824 0.585537 ] [ 0.989825 0.988464 0.787403 ] [ 0.465505 0.004938 0.233603 ] [ 0.332977 0.287824 0.414463 ] [ 0.965505 0.495062 0.233603 ] [ 0.010175 0.011536 0.212597 ] [ 0.534495 0.995062 0.766397 ] [ 0.510175 0.488464 0.212597 ] [ 0.489825 0.511536 0.787403 ] [ 0.034495 0.504938 0.766397 ] [ 0.832977 0.212176 0.414463 ] [ 0.32475 0.166534 0.906244 ] [ 0.67525 0.833466 0.093756 ] [ 0.82475 0.333466 0.906244 ] [ 0.17525 0.666534 0.093756 ] [ 0.809429 0.768275 0.37249 ] [ 0.190571 0.231725 0.62751 ] [ 0.309429 0.731725 0.37249 ] [ 0.690571 0.268275 0.62751 ] [ 0.354525 0.771585 0.962375 ] [ 0.145475 0.271585 0.037625 ] [ 0.854525 0.728415 0.962375 ] [ 0.645475 0.228415 0.037625 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.0482327253 "source-unit" "angstrom" } "b" { "source-value" 7.68710136 "source-unit" "angstrom" } "c" { "source-value" 11.2815430694 "source-unit" "angstrom" } "beta" { "source-value" 116.328612195 "source-unit" "degree" } }