{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.09129 0.867332 ] [ 0 0.90871 0.367332 ] [ 0 0.583548 0.155055 ] [ 0 0.416452 0.655055 ] [ 0.5 0.59129 0.867332 ] [ 0.5 0.40871 0.367332 ] [ 0.5 0.083548 0.155055 ] [ 0.5 0.916452 0.655055 ] [ 0 0.78086 0.810773 ] [ 0 0.21914 0.310773 ] [ 0.250143 0.832603 0.00292 ] [ 0.749857 0.167397 0.50292 ] [ 0.749857 0.832603 0.00292 ] [ 0.250143 0.167397 0.50292 ] [ 0.5 0.28086 0.810773 ] [ 0.5 0.71914 0.310773 ] [ 0.750143 0.332603 0.00292 ] [ 0.249857 0.667397 0.50292 ] [ 0.249857 0.332603 0.00292 ] [ 0.750143 0.667397 0.50292 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "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" 8.7044587414 "source-unit" "angstrom" } "b" { "source-value" 12.4832653401 "source-unit" "angstrom" } "c" { "source-value" 8.75915461 "source-unit" "angstrom" } }