{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.393848 0.989841 ] [ 0.75 0.106152 0.489841 ] [ 0.25 0.893848 0.510159 ] [ 0.25 0.606152 0.010159 ] [ 0.540542 0.961951 0.860352 ] [ 0.459458 0.038049 0.139648 ] [ 0.040542 0.461951 0.639648 ] [ 0.959458 0.961951 0.860352 ] [ 0.959458 0.538049 0.360352 ] [ 0.459458 0.461951 0.639648 ] [ 0.040542 0.038049 0.139648 ] [ 0.540542 0.538049 0.360352 ] [ 0.25 0.167757 0.844853 ] [ 0.75 0.832243 0.155147 ] [ 0.25 0.332243 0.344853 ] [ 0.75 0.667757 0.655147 ] [ 0.438233 0.23842 0.788315 ] [ 0.438233 0.26158 0.288315 ] [ 0.938233 0.73842 0.711685 ] [ 0.75 0.506995 0.538001 ] [ 0.25 0.493005 0.461999 ] [ 0.061767 0.23842 0.788315 ] [ 0.938233 0.76158 0.211685 ] [ 0.561767 0.76158 0.211685 ] [ 0.75 0.993005 0.038001 ] [ 0.061767 0.26158 0.288315 ] [ 0.25 0.006995 0.961999 ] [ 0.561767 0.73842 0.711685 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "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" 6.50745664 "source-unit" "angstrom" } "b" { "source-value" 6.52197163 "source-unit" "angstrom" } "c" { "source-value" 8.08736546 "source-unit" "angstrom" } }