{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.236091 0.25 0.23234 ] [ 0.736091 0.75 0.26766 ] [ 0.263909 0.25 0.73234 ] [ 0.763909 0.75 0.76766 ] [ 0.725889 0.409784 0.072532 ] [ 0.725889 0.090216 0.072532 ] [ 0.225889 0.909784 0.427468 ] [ 0.225889 0.590216 0.427468 ] [ 0.774111 0.409784 0.572532 ] [ 0.774111 0.090216 0.572532 ] [ 0.274111 0.909784 0.927468 ] [ 0.274111 0.590216 0.927468 ] [ 0.104313 0.25 0.054805 ] [ 0.291336 0.945519 0.069868 ] [ 0.291336 0.554481 0.069868 ] [ 0.723535 0.376669 0.208653 ] [ 0.723535 0.123331 0.208653 ] [ 0.223535 0.876669 0.291347 ] [ 0.223535 0.623331 0.291347 ] [ 0.791336 0.445519 0.430132 ] [ 0.791336 0.054481 0.430132 ] [ 0.604313 0.75 0.445195 ] [ 0.395687 0.25 0.554805 ] [ 0.208664 0.945519 0.569868 ] [ 0.208664 0.554481 0.569868 ] [ 0.776465 0.376669 0.708653 ] [ 0.776465 0.123331 0.708653 ] [ 0.276465 0.876669 0.791347 ] [ 0.276465 0.623331 0.791347 ] [ 0.708664 0.445519 0.930132 ] [ 0.708664 0.054481 0.930132 ] [ 0.895687 0.75 0.945195 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.14399788 "source-unit" "angstrom" } "b" { "source-value" 10.02313266 "source-unit" "angstrom" } "c" { "source-value" 13.42653489 "source-unit" "angstrom" } }