{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.984106 0.829692 ] [ 0.25 0.015894 0.170308 ] [ 0.75 0.484106 0.670308 ] [ 0.25 0.515894 0.329692 ] [ 0.25 0.519185 0.085042 ] [ 0.25 0.019185 0.414958 ] [ 0.75 0.480815 0.914958 ] [ 0.75 0.980815 0.585042 ] [ 0.25 0.691788 0.536069 ] [ 0.75 0.308212 0.463931 ] [ 0.25 0.191788 0.963931 ] [ 0.75 0.808212 0.036069 ] [ 0.25 0.636154 0.809817 ] [ 0.75 0.863846 0.309817 ] [ 0.25 0.136154 0.690183 ] [ 0.75 0.363846 0.190183 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.35780282 "source-unit" "angstrom" } "b" { "source-value" 5.41323752 "source-unit" "angstrom" } "c" { "source-value" 12.20697661 "source-unit" "angstrom" } }