{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.235022 0.000175 ] [ 0.5 0.243189 0.497665 ] [ 0 0.764978 0.500175 ] [ 0.5 0.756811 0.997665 ] [ 0.5 0.984382 0.394644 ] [ 0.5 0.015618 0.894644 ] [ 0 0.240221 0.291223 ] [ 0.5 0.486753 0.111297 ] [ 0.5 0.513247 0.611297 ] [ 0 0.759779 0.791223 ] [ 0 0.760201 0.219095 ] [ 0 0.239799 0.719095 ] [ 0.5 0.472806 0.861238 ] [ 0.5 0.527194 0.361238 ] [ 0.5 0.967026 0.635567 ] [ 0.5 0.032974 0.135567 ] [ 0 0.35829 0.15767 ] [ 0 0.367305 0.585366 ] [ 0.5 0.373982 0.348476 ] [ 0.5 0.391229 0.761875 ] [ 0.5 0.404987 0.956544 ] [ 0.5 0.595013 0.456544 ] [ 0.5 0.608771 0.261875 ] [ 0.5 0.626018 0.848476 ] [ 0 0.632695 0.085366 ] [ 0 0.64171 0.65767 ] [ 0 0.842691 0.34127 ] [ 0 0.852405 0.913666 ] [ 0.5 0.87523 0.149952 ] [ 0.5 0.885847 0.733977 ] [ 0.5 0.904519 0.540247 ] [ 0.5 0.095481 0.040247 ] [ 0.5 0.114153 0.233977 ] [ 0.5 0.12477 0.649952 ] [ 0 0.147595 0.413666 ] [ 0 0.157309 0.84127 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "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" 3.06455631 "source-unit" "angstrom" } "b" { "source-value" 9.11794735 "source-unit" "angstrom" } "c" { "source-value" 12.39028247 "source-unit" "angstrom" } }