{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.752326 0.221129 0.874995 ] [ 0.247674 0.778871 0.125005 ] [ 0.772963 0.652474 0.406718 ] [ 0.227037 0.347526 0.593282 ] [ 0.673421 0.126449 0.31993 ] [ 0.326579 0.873551 0.68007 ] [ 0.671724 0.672423 0.844047 ] [ 0.328276 0.327577 0.155953 ] [ 0.467714 0.15487 0.202815 ] [ 0.532286 0.84513 0.797185 ] [ 0.268482 0.704654 0.563853 ] [ 0.731518 0.295346 0.436147 ] [ 0.208724 0.078953 0.697741 ] [ 0.791276 0.921047 0.302259 ] [ 0.260206 0.288607 0.017481 ] [ 0.739794 0.711393 0.982519 ] [ 0.276491 0.525504 0.247244 ] [ 0.723509 0.474496 0.752756 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "B" "B" "B" "B" "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" 3.52274688 "source-unit" "angstrom" } "b" { "source-value" 6.46814882 "source-unit" "angstrom" } "c" { "source-value" 10.07804092 "source-unit" "angstrom" } "alpha" { "source-value" 105.80392874 "source-unit" "degree" } "beta" { "source-value" 91.32190686 "source-unit" "degree" } "gamma" { "source-value" 91.26788697 "source-unit" "degree" } }