{ "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" [ [ 0.017413 0.858752 0.345997 ] [ 0.482587 0.358752 0.654003 ] [ 0.982587 0.141248 0.654003 ] [ 0.517413 0.641248 0.345997 ] [ 0.76861 0.864302 0.539779 ] [ 0.73139 0.364302 0.460221 ] [ 0.23139 0.135698 0.460221 ] [ 0.26861 0.635698 0.539779 ] [ 0.610301 0.931392 0.810479 ] [ 0.889699 0.431392 0.189521 ] [ 0.389699 0.068608 0.189521 ] [ 0.110301 0.568608 0.810479 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Au" "Au" "Au" "Au" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.47160739396 "source-unit" "angstrom" } "b" { "source-value" 7.81826251 "source-unit" "angstrom" } "c" { "source-value" 7.84844020185 "source-unit" "angstrom" } "beta" { "source-value" 104.396694919 "source-unit" "degree" } }