{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.096155 0.656689 0.417034 ] [ 0.903845 0.343311 0.582966 ] [ 0.903845 0.156689 0.082966 ] [ 0.096155 0.843311 0.917034 ] [ 0.64209 0.611428 0.842648 ] [ 0.35791 0.111428 0.657352 ] [ 0.64209 0.888572 0.342648 ] [ 0.35791 0.388572 0.157352 ] [ 0.879983 0.679215 0.036236 ] [ 0.617272 0.296495 0.26184 ] [ 0.213323 0.458544 0.370972 ] [ 0.213323 0.041456 0.870972 ] [ 0.120017 0.320785 0.963764 ] [ 0.617272 0.203505 0.76184 ] [ 0.382728 0.796495 0.23816 ] [ 0.879983 0.820785 0.536236 ] [ 0.5 0 0.5 ] [ 0.120017 0.179215 0.463764 ] [ 0.786677 0.541456 0.629028 ] [ 0.5 0.5 0 ] [ 0.786677 0.958544 0.129028 ] [ 0.382728 0.703505 0.73816 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.51391640053 "source-unit" "angstrom" } "b" { "source-value" 9.99343947 "source-unit" "angstrom" } "c" { "source-value" 5.26670657505 "source-unit" "angstrom" } "beta" { "source-value" 97.4733415678 "source-unit" "degree" } }