{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.257745 0.24765 0.13307 ] [ 0.757745 0.25235 0.86693 ] [ 0.242255 0.75235 0.63307 ] [ 0.742255 0.74765 0.36693 ] [ 0.732965 0.371239 0.549279 ] [ 0.232965 0.128761 0.450721 ] [ 0.267035 0.871239 0.950721 ] [ 0.767035 0.628761 0.049279 ] [ 0.241273 0.504124 0.461909 ] [ 0.757071 0.484076 0.206346 ] [ 0.257071 0.015924 0.793654 ] [ 0.242929 0.984076 0.293654 ] [ 0.258727 0.495876 0.961909 ] [ 0.741273 0.995876 0.538091 ] [ 0.742929 0.515924 0.706346 ] [ 0.758727 0.004124 0.038091 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "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" 3.94566228 "source-unit" "angstrom" } "b" { "source-value" 6.24767901 "source-unit" "angstrom" } "c" { "source-value" 13.41769781 "source-unit" "angstrom" } }