{ "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" [ [ 0.745024 0.223694 0.431484 ] [ 0.254976 0.776306 0.568516 ] [ 0.755287 0.555394 0.763052 ] [ 0.244713 0.444606 0.236948 ] [ 0.749252 0.82929 0.454816 ] [ 0.250748 0.17071 0.545184 ] [ 0.749812 0.185892 0.158867 ] [ 0.250188 0.814108 0.841133 ] [ 0.749895 0.533209 0.394218 ] [ 0.250105 0.466791 0.605782 ] [ 0.753669 0.592649 0.035095 ] [ 0.246331 0.407351 0.964905 ] [ 0.753298 0.247395 0.800561 ] [ 0.246702 0.752605 0.199439 ] [ 0.744763 0.951914 0.739443 ] [ 0.255237 0.048086 0.260557 ] [ 0.743881 0.100065 0.327178 ] [ 0.256119 0.899935 0.672822 ] [ 0.750078 0.452125 0.307605 ] [ 0.249922 0.547875 0.692395 ] [ 0.742445 0.119164 0.660077 ] [ 0.257555 0.880836 0.339923 ] [ 0.751719 0.661984 0.533842 ] [ 0.248281 0.338016 0.466158 ] [ 0.758455 0.326703 0.886591 ] [ 0.241545 0.673297 0.113409 ] [ 0.754202 0.679588 0.868013 ] [ 0.245798 0.320412 0.131987 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.93146027 "source-unit" "angstrom" } "b" { "source-value" 6.94037085 "source-unit" "angstrom" } "c" { "source-value" 6.94557351 "source-unit" "angstrom" } "alpha" { "source-value" 60.02966416 "source-unit" "degree" } "beta" { "source-value" 77.51331104 "source-unit" "degree" } "gamma" { "source-value" 79.55935977 "source-unit" "degree" } }