{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbna" } "basis-atom-coordinates" { "source-value" [ [ 0.264266 0.25 0 ] [ 0.235734 0.75 0.5 ] [ 0.735734 0.75 0 ] [ 0.764266 0.25 0.5 ] [ 0.828073 0.124338 0.194185 ] [ 0.828073 0.375662 0.805815 ] [ 0.671927 0.624338 0.305815 ] [ 0.671927 0.875662 0.694185 ] [ 0.171927 0.875662 0.805815 ] [ 0.171927 0.624338 0.194185 ] [ 0.328073 0.375662 0.694185 ] [ 0.328073 0.124338 0.305815 ] [ 0.733812 0.093104 0.090499 ] [ 0.733812 0.406896 0.909501 ] [ 0.766188 0.593104 0.409501 ] [ 0.766188 0.906896 0.590499 ] [ 0.266188 0.906896 0.909501 ] [ 0.266188 0.593104 0.090499 ] [ 0.233812 0.406896 0.590499 ] [ 0.233812 0.093104 0.409501 ] [ 0.146989 0.144502 0.211211 ] [ 0.146989 0.355498 0.788789 ] [ 0.353011 0.644502 0.288789 ] [ 0.353011 0.855498 0.711211 ] [ 0.853011 0.855498 0.788789 ] [ 0.853011 0.644502 0.211211 ] [ 0.646989 0.355498 0.711211 ] [ 0.646989 0.144502 0.288789 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "B" "B" "B" "B" "B" "B" "B" "B" "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" 4.37490518 "source-unit" "angstrom" } "b" { "source-value" 6.65292334 "source-unit" "angstrom" } "c" { "source-value" 12.10690211 "source-unit" "angstrom" } }