{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmaa" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.75 0.2529 ] [ 0 0 0.5 ] [ 0 0.25 0.2529 ] [ 0 0.5 0.5 ] [ 0 0.75 0.7471 ] [ 0 0.25 0.7471 ] [ 0.59093 0 0.254127 ] [ 0.40907 0.5 0.254127 ] [ 0.40907 0 0.745873 ] [ 0.59093 0.5 0.745873 ] [ 0.5 0.75 0.5 ] [ 0.5 0.25 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0.223216 0 0.250869 ] [ 0.734807 0.856876 0.108945 ] [ 0.265193 0.643124 0.108945 ] [ 0.716672 0.852407 0.399371 ] [ 0.265193 0.356876 0.108945 ] [ 0.776784 0.5 0.250869 ] [ 0.283328 0.647593 0.399371 ] [ 0.283328 0.852407 0.600629 ] [ 0.776784 0 0.749131 ] [ 0.734807 0.143124 0.108945 ] [ 0.716672 0.647593 0.600629 ] [ 0.283328 0.352407 0.399371 ] [ 0.265193 0.856876 0.891055 ] [ 0.716672 0.147593 0.399371 ] [ 0.716672 0.352407 0.600629 ] [ 0.223216 0.5 0.749131 ] [ 0.734807 0.643124 0.891055 ] [ 0.283328 0.147593 0.600629 ] [ 0.734807 0.356876 0.891055 ] [ 0.265193 0.143124 0.891055 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Ge" "Ge" "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" 4.56157977 "source-unit" "angstrom" } "b" { "source-value" 9.20922179 "source-unit" "angstrom" } "c" { "source-value" 9.21028711 "source-unit" "angstrom" } }