{ "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" [ [ 0.025385 0.39688 0.039309 ] [ 0.035392 0.282086 0.634886 ] [ 0.464608 0.717914 0.134886 ] [ 0.474615 0.60312 0.539309 ] [ 0.525385 0.10312 0.960691 ] [ 0.535392 0.217914 0.365114 ] [ 0.964608 0.782086 0.865114 ] [ 0.974615 0.89688 0.460691 ] [ 0.040945 0.005424 0.146741 ] [ 0.459055 0.994576 0.646741 ] [ 0.540945 0.494576 0.853259 ] [ 0.959055 0.505424 0.353259 ] [ 0.080851 0.655562 0.475205 ] [ 0.176186 0.54927 0.203965 ] [ 0.187095 0.858511 0.262867 ] [ 0.180771 0.857343 0.678932 ] [ 0.22732 0.384493 0.436097 ] [ 0.247766 0.086751 0.505833 ] [ 0.252234 0.913249 0.005833 ] [ 0.27268 0.615507 0.936097 ] [ 0.319229 0.142657 0.178932 ] [ 0.312905 0.141489 0.762867 ] [ 0.323814 0.45073 0.703965 ] [ 0.419149 0.344438 0.975205 ] [ 0.580851 0.844438 0.524795 ] [ 0.676186 0.95073 0.796035 ] [ 0.687095 0.641489 0.737133 ] [ 0.680771 0.642657 0.321068 ] [ 0.72732 0.115507 0.563903 ] [ 0.747766 0.413249 0.494167 ] [ 0.752234 0.586751 0.994167 ] [ 0.77268 0.884493 0.063903 ] [ 0.819229 0.357343 0.821068 ] [ 0.812905 0.358511 0.237133 ] [ 0.823814 0.04927 0.296035 ] [ 0.919149 0.155562 0.024795 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 5.2997555 "source-unit" "angstrom" } "b" { "source-value" 9.09928224 "source-unit" "angstrom" } "c" { "source-value" 9.98791187 "source-unit" "angstrom" } }