{ "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" [ [ 0.140367 0.300142 0.115466 ] [ 0.359633 0.800142 0.384534 ] [ 0.859633 0.699858 0.884534 ] [ 0.640367 0.199858 0.615466 ] [ 0.232823 0.131976 0.438836 ] [ 0.267177 0.631976 0.061164 ] [ 0.767177 0.868024 0.561164 ] [ 0.732823 0.368024 0.938836 ] [ 0.228506 0.103412 0.921129 ] [ 0.271494 0.603412 0.578871 ] [ 0.771494 0.896588 0.078871 ] [ 0.728506 0.396588 0.421129 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "Te" "Te" "Te" "Te" "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" 7.84037628629 "source-unit" "angstrom" } "b" { "source-value" 7.74010091 "source-unit" "angstrom" } "c" { "source-value" 8.54299419884 "source-unit" "angstrom" } "beta" { "source-value" 117.236391328 "source-unit" "degree" } }