{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.841421 0.658579 0.491628 ] [ 0.341421 0.841421 0.508372 ] [ 0.658579 0.158579 0.508372 ] [ 0.158579 0.341421 0.491628 ] [ 0.136905 0.636905 0.958981 ] [ 0.636905 0.863095 0.041019 ] [ 0.863095 0.363095 0.958981 ] [ 0.363095 0.136905 0.041019 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.858596 0.358596 0.291807 ] [ 0.358596 0.141404 0.708193 ] [ 0.141404 0.641404 0.291807 ] [ 0.641404 0.858596 0.708193 ] [ 0.5 0 0.183702 ] [ 0 0.5 0.816298 ] [ 0.082464 0.837453 0.799042 ] [ 0.162547 0.082464 0.200958 ] [ 0.837453 0.917536 0.200958 ] [ 0.917536 0.162547 0.799042 ] [ 0.582464 0.662547 0.200958 ] [ 0.417536 0.337453 0.200958 ] [ 0.337453 0.582464 0.799042 ] [ 0.662547 0.417536 0.799042 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Be" "Be" "Be" "Be" "Si" "Si" "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" 7.31347043 "source-unit" "angstrom" } "c" { "source-value" 4.77784679 "source-unit" "angstrom" } }