{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.718344 0.001251 ] [ 0 0.789893 0.343671 ] [ 0 0.781962 0.658653 ] [ 0.5 0.218038 0.158653 ] [ 0.5 0.281656 0.501251 ] [ 0.5 0.210107 0.843671 ] [ 0.5 0.951665 0.264841 ] [ 0.5 0.964528 0.600665 ] [ 0.5 0.937149 0.933375 ] [ 0 0.035472 0.100665 ] [ 0 0.048335 0.764841 ] [ 0 0.062851 0.433375 ] [ 0 0.479701 0.570429 ] [ 0 0.431013 0.894929 ] [ 0.5 0.520299 0.070429 ] [ 0.5 0.568987 0.394929 ] [ 0 0.440648 0.232094 ] [ 0.5 0.559352 0.732094 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.0431779 "source-unit" "angstrom" } "b" { "source-value" 4.62487553 "source-unit" "angstrom" } "c" { "source-value" 13.81927594 "source-unit" "angstrom" } }