{ "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 ] [ 0.138473 0.5 0.290858 ] [ 0.861527 0.5 0.709142 ] [ 0.5 0.5 0 ] [ 0.638473 0 0.290858 ] [ 0.361527 0 0.709142 ] [ 0.143262 0.5 0.020035 ] [ 0.856738 0.5 0.979965 ] [ 0.790369 0.5 0.385384 ] [ 0.209631 0.5 0.614616 ] [ 0.990375 0 0.698935 ] [ 0.009625 0 0.301065 ] [ 0.643262 0 0.020035 ] [ 0.356738 0 0.979965 ] [ 0.290369 0 0.385384 ] [ 0.709631 0 0.614616 ] [ 0.490375 0.5 0.698935 ] [ 0.509625 0.5 0.301065 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "Te" "Te" "Te" "Te" "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" 14.8261760148 "source-unit" "angstrom" } "b" { "source-value" 3.57558352 "source-unit" "angstrom" } "c" { "source-value" 9.36610576728 "source-unit" "angstrom" } "beta" { "source-value" 112.444444443 "source-unit" "degree" } }