{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.934453 0.75 ] [ 0.5 0.065547 0.25 ] [ 0 0.434453 0.75 ] [ 0 0.565547 0.25 ] [ 0.5 0.191985 0.592728 ] [ 0.5 0.808015 0.407272 ] [ 0.5 0.191985 0.907272 ] [ 0.5 0.808015 0.092728 ] [ 0 0.691985 0.592728 ] [ 0 0.308015 0.407272 ] [ 0 0.691985 0.907272 ] [ 0 0.308015 0.092728 ] [ 0 0.915894 0.963678 ] [ 0 0.084106 0.036322 ] [ 0 0.084106 0.463678 ] [ 0 0.155147 0.75 ] [ 0 0.844853 0.25 ] [ 0 0.915894 0.536322 ] [ 0.5 0.415894 0.963678 ] [ 0.5 0.584106 0.036322 ] [ 0.5 0.584106 0.463678 ] [ 0.5 0.655147 0.75 ] [ 0.5 0.344853 0.25 ] [ 0.5 0.415894 0.536322 ] [ 0.5 0.832268 0.56949 ] [ 0.5 0.167732 0.43051 ] [ 0.5 0.167732 0.06949 ] [ 0.5 0.832268 0.93051 ] [ 0.5 0.762219 0.25 ] [ 0.5 0.237781 0.75 ] [ 0 0.938586 0.113108 ] [ 0 0.938586 0.386892 ] [ 0 0.061414 0.886892 ] [ 0 0.061414 0.613108 ] [ 0 0.332268 0.56949 ] [ 0 0.667732 0.43051 ] [ 0 0.667732 0.06949 ] [ 0 0.332268 0.93051 ] [ 0 0.262219 0.25 ] [ 0 0.737781 0.75 ] [ 0.5 0.438586 0.113108 ] [ 0.5 0.438586 0.386892 ] [ 0.5 0.561414 0.886892 ] [ 0.5 0.561414 0.613108 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94309219 "source-unit" "angstrom" } "b" { "source-value" 13.92778794 "source-unit" "angstrom" } "c" { "source-value" 16.49585815 "source-unit" "angstrom" } }