{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.173335 0.820865 0.197007 ] [ 0.673335 0.179135 0.302993 ] [ 0.173335 0.820865 0.802993 ] [ 0.673335 0.179135 0.697007 ] [ 0.695268 0.510708 0 ] [ 0.195268 0.489292 0.5 ] [ 0.324553 0.058242 0.288846 ] [ 0.273143 0.932771 0 ] [ 0.324553 0.058242 0.711154 ] [ 0.546462 0.557588 0.859579 ] [ 0.824553 0.941758 0.211154 ] [ 0.546462 0.557588 0.140421 ] [ 0.824553 0.941758 0.788846 ] [ 0.046462 0.442412 0.359579 ] [ 0.046462 0.442412 0.640421 ] [ 0.773143 0.067229 0.5 ] [ 0.274564 0.694946 0.5 ] [ 0.953325 0.635281 0 ] [ 0.774564 0.305054 0 ] [ 0.453325 0.364719 0.5 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.00024667 "source-unit" "angstrom" } "b" { "source-value" 6.94551642 "source-unit" "angstrom" } "c" { "source-value" 8.79615391 "source-unit" "angstrom" } }