{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.98501 0.814966 0.75 ] [ 0.98501 0.185034 0.25 ] [ 0.48501 0.314966 0.75 ] [ 0.48501 0.685034 0.25 ] [ 0.749894 0.107888 0.75 ] [ 0.749894 0.892112 0.25 ] [ 0.249894 0.607888 0.75 ] [ 0.249894 0.392112 0.25 ] [ 0.734261 0 0.5 ] [ 0.734261 0 0 ] [ 0.250579 0.89147 0.25 ] [ 0.250579 0.10853 0.75 ] [ 0.234261 0.5 0.5 ] [ 0.234261 0.5 0 ] [ 0.750579 0.39147 0.25 ] [ 0.750579 0.60853 0.75 ] [ 0.512185 0.890018 0.00103 ] [ 0.512185 0.109982 0.50103 ] [ 0.994548 0.00462 0.75 ] [ 0.512185 0.109982 0.99897 ] [ 0.983018 0.791031 0.25 ] [ 0.983018 0.208969 0.75 ] [ 0.994548 0.99538 0.25 ] [ 0.512185 0.890018 0.49897 ] [ 0.012185 0.390018 0.00103 ] [ 0.012185 0.609982 0.50103 ] [ 0.494548 0.50462 0.75 ] [ 0.012185 0.609982 0.99897 ] [ 0.483018 0.291031 0.25 ] [ 0.483018 0.708969 0.75 ] [ 0.494548 0.49538 0.25 ] [ 0.012185 0.390018 0.49897 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61032628074 "source-unit" "angstrom" } "b" { "source-value" 18.7856864194 "source-unit" "angstrom" } "c" { "source-value" 7.70886458 "source-unit" "angstrom" } }