{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.345905 0.75 ] [ 0 0.654095 0.25 ] [ 0.5 0.845905 0.75 ] [ 0.5 0.154095 0.25 ] [ 0.814749 0.10755 0.127574 ] [ 0.185251 0.10755 0.372426 ] [ 0.185251 0.89245 0.872426 ] [ 0.814749 0.89245 0.627574 ] [ 0.314749 0.60755 0.127574 ] [ 0.685251 0.60755 0.372426 ] [ 0.685251 0.39245 0.872426 ] [ 0.314749 0.39245 0.627574 ] [ 0.855591 0.349792 0.019661 ] [ 0.144409 0.650208 0.980339 ] [ 0.137398 0.91038 0.530775 ] [ 0.144409 0.349792 0.480339 ] [ 0.862602 0.91038 0.969225 ] [ 0.137398 0.08962 0.030775 ] [ 0.855591 0.650208 0.519661 ] [ 0.862602 0.08962 0.469225 ] [ 0.355591 0.849792 0.019661 ] [ 0.644409 0.150208 0.980339 ] [ 0.637398 0.41038 0.530775 ] [ 0.644409 0.849792 0.480339 ] [ 0.362602 0.41038 0.969225 ] [ 0.637398 0.58962 0.030775 ] [ 0.355591 0.150208 0.519661 ] [ 0.362602 0.58962 0.469225 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "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" 9.33947707977 "source-unit" "angstrom" } "b" { "source-value" 5.58370079598 "source-unit" "angstrom" } "c" { "source-value" 4.4568614001 "source-unit" "angstrom" } "beta" { "source-value" 108.197575076 "source-unit" "degree" } }