{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.698364 0.500619 ] [ 0 0.301636 0.000619 ] [ 0 0.517956 0.244939 ] [ 0 0.482044 0.744939 ] [ 0.5 0.102372 0.978812 ] [ 0.5 0.897628 0.478812 ] [ 0.279787 0.941815 0.566849 ] [ 0.5 0.008161 0.359855 ] [ 0.5 0.991839 0.859855 ] [ 0 0.416758 0.372167 ] [ 0 0.718555 0.255742 ] [ 0.279787 0.058185 0.066849 ] [ 0.759932 0.531693 0.676248 ] [ 0.240068 0.468307 0.176248 ] [ 0 0.281445 0.755742 ] [ 0.5 0.70037 0.442702 ] [ 0.720213 0.058185 0.066849 ] [ 0 0.583242 0.872167 ] [ 0.720213 0.941815 0.566849 ] [ 0.240068 0.531693 0.676248 ] [ 0.759932 0.468307 0.176248 ] [ 0.5 0.29963 0.942702 ] ] } "species" { "source-value" [ "Mg" "Mg" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31188528 "source-unit" "angstrom" } "b" { "source-value" 6.09677431 "source-unit" "angstrom" } "c" { "source-value" 8.39071301 "source-unit" "angstrom" } }