{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.385348 0.350606 ] [ 0.5 0.614652 0.649394 ] [ 0.5 0.114652 0.850606 ] [ 0.5 0.885348 0.149394 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.332136 0.10302 ] [ 0.5 0.667864 0.89698 ] [ 0.5 0.832136 0.39698 ] [ 0.5 0.167864 0.60302 ] [ 0 0.86253 0.724609 ] [ 0 0.13747 0.275391 ] [ 0 0.36253 0.775391 ] [ 0 0.63747 0.224609 ] [ 0 0.5 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "As" "As" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0717366 "source-unit" "angstrom" } "b" { "source-value" 5.51327339 "source-unit" "angstrom" } "c" { "source-value" 10.29314944 "source-unit" "angstrom" } }