{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.823521 0.086046 ] [ 0 0.176479 0.913954 ] [ 0 0.323521 0.413954 ] [ 0 0.676479 0.586046 ] [ 0 0.443032 0.129704 ] [ 0 0.556968 0.870296 ] [ 0 0.943032 0.370296 ] [ 0 0.056968 0.629704 ] [ 0 0.13844 0.17918 ] [ 0 0.86156 0.82082 ] [ 0 0.63844 0.32082 ] [ 0 0.36156 0.67918 ] [ 0.5 0.053184 0.067308 ] [ 0.5 0.946816 0.932693 ] [ 0.5 0.553184 0.432692 ] [ 0.5 0.446816 0.567307 ] [ 0.5 0.248441 0.081663 ] [ 0.5 0.751559 0.918337 ] [ 0.5 0.748441 0.418337 ] [ 0.5 0.251559 0.581663 ] [ 0.5 0.291635 0.234363 ] [ 0.5 0.708365 0.765637 ] [ 0.5 0.791635 0.265637 ] [ 0.5 0.208365 0.734363 ] [ 0.5 0.130727 0.314091 ] [ 0.5 0.869273 0.685909 ] [ 0.5 0.630727 0.185909 ] [ 0.5 0.369273 0.814091 ] [ 0.5 0.482267 0.28814 ] [ 0.5 0.517733 0.71186 ] [ 0.5 0.982267 0.21186 ] [ 0.5 0.017733 0.78814 ] [ 0.5 0.100478 0.471822 ] [ 0.5 0.899522 0.528178 ] [ 0.5 0.600478 0.028178 ] [ 0.5 0.399522 0.971822 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Re" "Re" "Re" "Re" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.68662141 "source-unit" "angstrom" } "b" { "source-value" 9.19343761 "source-unit" "angstrom" } "c" { "source-value" 11.58180842 "source-unit" "angstrom" } }