{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.229275 0.886803 ] [ 0 0.770725 0.386803 ] [ 0.5 0.993842 0.993367 ] [ 0.5 0.006158 0.493367 ] [ 0.5 0.729275 0.886803 ] [ 0.5 0.270725 0.386803 ] [ 0 0.493842 0.993367 ] [ 0 0.506158 0.493367 ] [ 0 0.037724 0.261047 ] [ 0 0.242363 0.614116 ] [ 0 0.962276 0.761047 ] [ 0 0.757637 0.114116 ] [ 0.5 0.537724 0.261047 ] [ 0.5 0.742363 0.614116 ] [ 0.5 0.462276 0.761047 ] [ 0.5 0.257637 0.114116 ] [ 0.5 0.829383 0.751555 ] [ 0.5 0.170617 0.251555 ] [ 0 0.329383 0.751555 ] [ 0 0.670617 0.251555 ] [ 0 0.133878 0.031602 ] [ 0 0.14788 0.466671 ] [ 0.5 0.917033 0.143315 ] [ 0.5 0.919428 0.351523 ] [ 0.5 0.082967 0.643315 ] [ 0 0.866122 0.531602 ] [ 0.5 0.080572 0.851523 ] [ 0 0.85212 0.966671 ] [ 0.5 0.633878 0.031602 ] [ 0.5 0.64788 0.466671 ] [ 0 0.417033 0.143315 ] [ 0 0.419428 0.351523 ] [ 0 0.582967 0.643315 ] [ 0.5 0.366122 0.531602 ] [ 0 0.580572 0.851523 ] [ 0.5 0.35212 0.966671 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 3.00443516 "source-unit" "angstrom" } "b" { "source-value" 9.9649073 "source-unit" "angstrom" } "c" { "source-value" 12.82115115 "source-unit" "angstrom" } }