{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.650616 0.98752 0.75 ] [ 0.150616 0.51248 0.75 ] [ 0.849384 0.48752 0.25 ] [ 0.349384 0.01248 0.25 ] [ 0.974182 0.817735 0.902245 ] [ 0.474182 0.682265 0.597755 ] [ 0.525818 0.317735 0.097755 ] [ 0.025818 0.182265 0.402245 ] [ 0.025818 0.182265 0.097755 ] [ 0.525818 0.317735 0.402245 ] [ 0.474182 0.682265 0.902245 ] [ 0.974182 0.817735 0.597755 ] [ 0.680744 0.820472 0.123187 ] [ 0.180744 0.679528 0.376813 ] [ 0.819256 0.320472 0.876813 ] [ 0.319256 0.179528 0.623187 ] [ 0.319256 0.179528 0.876813 ] [ 0.819256 0.320472 0.623187 ] [ 0.180744 0.679528 0.123187 ] [ 0.680744 0.820472 0.376813 ] [ 0.768952 0.628228 0.75 ] [ 0.268952 0.871772 0.75 ] [ 0.731048 0.128228 0.25 ] [ 0.231048 0.371772 0.25 ] [ 0.022851 0.103236 0.75 ] [ 0.522851 0.396764 0.75 ] [ 0.477149 0.603236 0.25 ] [ 0.977149 0.896764 0.25 ] [ 0.851825 0.528704 0.039787 ] [ 0.351825 0.971296 0.460213 ] [ 0.648175 0.028704 0.960213 ] [ 0.148175 0.471296 0.539787 ] [ 0.148175 0.471296 0.960213 ] [ 0.648175 0.028704 0.539787 ] [ 0.351825 0.971296 0.039787 ] [ 0.851825 0.528704 0.460213 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.38568716 "source-unit" "angstrom" } "b" { "source-value" 7.66687412 "source-unit" "angstrom" } "c" { "source-value" 14.50025666 "source-unit" "angstrom" } }