{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.247185 0 0.295183 ] [ 0.752815 0 0.704817 ] [ 0.5 0.5 0 ] [ 0.747185 0.5 0.295183 ] [ 0.252815 0.5 0.704817 ] [ 0.865191 0.5 0.041019 ] [ 0.134809 0.5 0.958981 ] [ 0.892997 0 0.551506 ] [ 0.107003 0 0.448494 ] [ 0.365191 0 0.041019 ] [ 0.634809 0 0.958981 ] [ 0.392997 0.5 0.551506 ] [ 0.607003 0.5 0.448494 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 14.4126023629 "source-unit" "angstrom" } "b" { "source-value" 3.81384013411 "source-unit" "angstrom" } "c" { "source-value" 7.08072960691 "source-unit" "angstrom" } "beta" { "source-value" 119.093057015 "source-unit" "degree" } }