{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.899518 0.084093 ] [ 0.75 0.838914 0.73749 ] [ 0.25 0.661086 0.23749 ] [ 0.25 0.600482 0.584093 ] [ 0.75 0.399518 0.415907 ] [ 0.75 0.338914 0.76251 ] [ 0.25 0.161086 0.26251 ] [ 0.25 0.100482 0.915907 ] [ 0.75 0.886588 0.423569 ] [ 0.25 0.613412 0.923569 ] [ 0.75 0.386588 0.076431 ] [ 0.25 0.113412 0.576431 ] [ 0.25 0.930028 0.173852 ] [ 0.25 0.926678 0.453307 ] [ 0.25 0.879082 0.648373 ] [ 0.25 0.842138 0.994978 ] [ 0.75 0.753372 0.32254 ] [ 0.25 0.746628 0.82254 ] [ 0.75 0.657862 0.494978 ] [ 0.75 0.620918 0.148373 ] [ 0.75 0.573322 0.953307 ] [ 0.75 0.569972 0.673852 ] [ 0.25 0.430028 0.326148 ] [ 0.25 0.426678 0.046693 ] [ 0.25 0.379082 0.851627 ] [ 0.25 0.342138 0.505022 ] [ 0.75 0.253372 0.17746 ] [ 0.25 0.246628 0.67746 ] [ 0.75 0.157862 0.005022 ] [ 0.75 0.120918 0.351627 ] [ 0.75 0.073322 0.546693 ] [ 0.75 0.069972 0.826148 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "O" "O" "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" 3.62257047 "source-unit" "angstrom" } "b" { "source-value" 7.45058044 "source-unit" "angstrom" } "c" { "source-value" 15.46651279 "source-unit" "angstrom" } }