{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.81312 ] [ 0.5 0 0.68688 ] [ 0 0.5 0.18688 ] [ 0.5 0 0.31312 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.04554 0.244482 0.5 ] [ 0.45446 0.744482 0 ] [ 0.95446 0.755518 0.5 ] [ 0.54554 0.255518 0 ] [ 0.298812 0.795452 0.138616 ] [ 0.798812 0.704548 0.361384 ] [ 0.298812 0.795452 0.861384 ] [ 0.701188 0.204548 0.861384 ] [ 0.798812 0.704548 0.638616 ] [ 0.201188 0.295452 0.638616 ] [ 0.250891 0.320724 0 ] [ 0.750891 0.179276 0.5 ] [ 0.249109 0.820724 0.5 ] [ 0.749109 0.679276 0 ] [ 0.701188 0.204548 0.138616 ] [ 0.201188 0.295452 0.361384 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "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" 4.54288119 "source-unit" "angstrom" } "b" { "source-value" 5.45811947 "source-unit" "angstrom" } "c" { "source-value" 8.51042264 "source-unit" "angstrom" } }