{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.247058 ] [ 0 0.75 0.752942 ] [ 0.5 0.75 0.252942 ] [ 0.5 0.25 0.747058 ] [ 0 0.75 0.071057 ] [ 0 0.25 0.928943 ] [ 0.5 0.25 0.428943 ] [ 0.5 0.75 0.571057 ] [ 0 0.75 0.386405 ] [ 0 0.25 0.613595 ] [ 0.5 0.75 0.886405 ] [ 0.5 0.25 0.113595 ] [ 0.809861 0.532905 0.32754 ] [ 0.809861 0.032905 0.67246 ] [ 0.734252 0.422015 0.054434 ] [ 0.734252 0.922015 0.945566 ] [ 0.765748 0.922015 0.445566 ] [ 0.765748 0.422015 0.554434 ] [ 0.690139 0.032905 0.17246 ] [ 0.690139 0.532905 0.82754 ] [ 0.309861 0.467095 0.17246 ] [ 0.309861 0.967095 0.82754 ] [ 0.234252 0.077985 0.554434 ] [ 0.234252 0.577985 0.445566 ] [ 0.265748 0.077985 0.054434 ] [ 0.265748 0.577985 0.945566 ] [ 0.190139 0.967095 0.32754 ] [ 0.190139 0.467095 0.67246 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.26697309 "source-unit" "angstrom" } "b" { "source-value" 4.58328237 "source-unit" "angstrom" } "c" { "source-value" 15.00417814 "source-unit" "angstrom" } }