{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.950792 ] [ 0.666667 0.333333 0.450792 ] [ 0.666667 0.333333 0.049208 ] [ 0.333333 0.666667 0.549208 ] [ 0.357216 0.047076 0.75 ] [ 0.31014 0.357216 0.25 ] [ 0.047076 0.68986 0.25 ] [ 0.952924 0.31014 0.75 ] [ 0.68986 0.642784 0.75 ] [ 0.642784 0.952924 0.25 ] [ 0.818384 0.838487 0.75 ] [ 0.979897 0.818384 0.25 ] [ 0.838487 0.020103 0.25 ] [ 0.161513 0.979897 0.75 ] [ 0.020103 0.181616 0.75 ] [ 0.181616 0.161513 0.25 ] [ 0.565374 0.837883 0.421636 ] [ 0.727492 0.565374 0.921636 ] [ 0.837883 0.272508 0.921636 ] [ 0.162117 0.727492 0.421636 ] [ 0.512734 0.382737 0.25 ] [ 0.129997 0.512734 0.75 ] [ 0.382737 0.870003 0.75 ] [ 0.617263 0.129997 0.25 ] [ 0.870003 0.487266 0.25 ] [ 0.487266 0.617263 0.75 ] [ 0.565374 0.837883 0.078364 ] [ 0.727492 0.565374 0.578364 ] [ 0.837883 0.272508 0.578364 ] [ 0.162117 0.727492 0.078364 ] [ 0.272508 0.434626 0.078364 ] [ 0.434626 0.162117 0.578364 ] [ 0.434626 0.162117 0.921636 ] [ 0.272508 0.434626 0.421636 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.15984661844 "source-unit" "angstrom" } "c" { "source-value" 7.48913517 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.434561736470588 "source-unit" "eV" } }