{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.241611 0.864939 ] [ 0.5 0.758389 0.864939 ] [ 0 0.741611 0.364939 ] [ 0 0.258389 0.364939 ] [ 0 0 0.992784 ] [ 0.5 0.5 0.492784 ] [ 0.781049 0.203416 0.001937 ] [ 0.781049 0.796584 0.001937 ] [ 0 0 0.231681 ] [ 0.5 0 0.758378 ] [ 0.218951 0.203416 0.001937 ] [ 0.218951 0.796584 0.001937 ] [ 0 0 0.77673 ] [ 0.281049 0.703416 0.501937 ] [ 0.281049 0.296584 0.501937 ] [ 0.5 0.5 0.731681 ] [ 0 0.5 0.258378 ] [ 0.718951 0.703416 0.501937 ] [ 0.718951 0.296584 0.501937 ] [ 0.5 0.5 0.27673 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.88755669 "source-unit" "angstrom" } "b" { "source-value" 6.31965363 "source-unit" "angstrom" } "c" { "source-value" 8.08036262 "source-unit" "angstrom" } }