{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.222259 0.264165 ] [ 0.25 0.777741 0.735835 ] [ 0.75 0.722259 0.235835 ] [ 0.25 0.277741 0.764165 ] [ 0.75 0.936066 0.642921 ] [ 0.25 0.063934 0.357079 ] [ 0.75 0.436066 0.857079 ] [ 0.25 0.563934 0.142921 ] [ 0.25 0.179447 0.90702 ] [ 0.75 0.820553 0.09298 ] [ 0.25 0.679447 0.59298 ] [ 0.75 0.320553 0.40702 ] [ 0.25 0.89952 0.113029 ] [ 0.75 0.10048 0.886971 ] [ 0.25 0.39952 0.386971 ] [ 0.75 0.60048 0.613029 ] [ 0.048454 0.828458 0.806718 ] [ 0.548454 0.171542 0.193282 ] [ 0.451546 0.328458 0.693282 ] [ 0.951546 0.671542 0.306718 ] [ 0.951546 0.171542 0.193282 ] [ 0.451546 0.828458 0.806718 ] [ 0.548454 0.671542 0.306718 ] [ 0.048454 0.328458 0.693282 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "Pb" "Pb" "Pb" "Pb" "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" 5.98794226 "source-unit" "angstrom" } "b" { "source-value" 7.12029656 "source-unit" "angstrom" } "c" { "source-value" 8.39606677 "source-unit" "angstrom" } }