{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0.75 0.885408 ] [ 0.5 0.25 0.114592 ] [ 0 0.25 0.385408 ] [ 0 0.75 0.614592 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.765436 0.25 0.999874 ] [ 0.234564 0.25 0.999874 ] [ 0.234564 0.75 0.000126 ] [ 0.765436 0.75 0.000126 ] [ 0.5 0.512227 0.775775 ] [ 0.5 0.987773 0.775775 ] [ 0.5 0.012227 0.224225 ] [ 0.5 0.487773 0.224225 ] [ 0.265436 0.75 0.499874 ] [ 0.734564 0.75 0.499874 ] [ 0.734564 0.25 0.500126 ] [ 0.265436 0.25 0.500126 ] [ 0 0.012227 0.275775 ] [ 0 0.487773 0.275775 ] [ 0 0.512227 0.724225 ] [ 0 0.987773 0.724225 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "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" 5.71312381251 "source-unit" "angstrom" } "b" { "source-value" 5.81970392807 "source-unit" "angstrom" } "c" { "source-value" 8.9985205184 "source-unit" "angstrom" } }