{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.685118 0.185118 0.314882 ] [ 0.314882 0.685118 0.185118 ] [ 0.949423 0.550577 0.449423 ] [ 0.185118 0.314882 0.685118 ] [ 0.050577 0.050577 0.050577 ] [ 0.449423 0.949423 0.550577 ] [ 0.550577 0.449423 0.949423 ] [ 0.814882 0.814882 0.814882 ] [ 0.334483 0.334483 0.334483 ] [ 0.165517 0.665517 0.834483 ] [ 0.834483 0.165517 0.665517 ] [ 0.665517 0.834483 0.165517 ] [ 0.591195 0.591195 0.591195 ] [ 0.091195 0.908805 0.408805 ] [ 0.408805 0.091195 0.908805 ] [ 0.908805 0.408805 0.091195 ] [ 0.2805 0.623493 0.518849 ] [ 0.7805 0.876507 0.481151 ] [ 0.7195 0.123493 0.981151 ] [ 0.876507 0.481151 0.7805 ] [ 0.981151 0.7195 0.123493 ] [ 0.481151 0.7805 0.876507 ] [ 0.623493 0.518849 0.2805 ] [ 0.518849 0.2805 0.623493 ] [ 0.123493 0.981151 0.7195 ] [ 0.2195 0.376507 0.018849 ] [ 0.018849 0.2195 0.376507 ] [ 0.376507 0.018849 0.2195 ] [ 0.250196 0.594132 0.659593 ] [ 0.750196 0.905868 0.340407 ] [ 0.749804 0.094132 0.840407 ] [ 0.905868 0.340407 0.750196 ] [ 0.840407 0.749804 0.094132 ] [ 0.340407 0.750196 0.905868 ] [ 0.594132 0.659593 0.250196 ] [ 0.659593 0.250196 0.594132 ] [ 0.094132 0.840407 0.749804 ] [ 0.405868 0.159593 0.249804 ] [ 0.159593 0.249804 0.405868 ] [ 0.249804 0.405868 0.159593 ] [ 0.25998 0.499381 0.441347 ] [ 0.75998 0.000619 0.558653 ] [ 0.74002 0.999381 0.058653 ] [ 0.000619 0.558653 0.75998 ] [ 0.058653 0.74002 0.999381 ] [ 0.558653 0.75998 0.000619 ] [ 0.994798 0.579604 0.172003 ] [ 0.499381 0.441347 0.25998 ] [ 0.999381 0.058653 0.74002 ] [ 0.500619 0.941347 0.24002 ] [ 0.941347 0.24002 0.500619 ] [ 0.24002 0.500619 0.941347 ] [ 0.420396 0.672003 0.505202 ] [ 0.920396 0.827997 0.494798 ] [ 0.579604 0.172003 0.994798 ] [ 0.827997 0.494798 0.920396 ] [ 0.309712 0.275012 0.962336 ] [ 0.962336 0.309712 0.275012 ] [ 0.275012 0.962336 0.309712 ] [ 0.224988 0.037664 0.809712 ] [ 0.462336 0.190288 0.724988 ] [ 0.724988 0.462336 0.190288 ] [ 0.537664 0.690288 0.775012 ] [ 0.037664 0.809712 0.224988 ] [ 0.775012 0.537664 0.690288 ] [ 0.809712 0.224988 0.037664 ] [ 0.690288 0.775012 0.537664 ] [ 0.190288 0.724988 0.462336 ] [ 0.079604 0.327997 0.005202 ] [ 0.005202 0.079604 0.327997 ] [ 0.327997 0.005202 0.079604 ] [ 0.172003 0.994798 0.579604 ] [ 0.505202 0.420396 0.672003 ] [ 0.672003 0.505202 0.420396 ] [ 0.494798 0.920396 0.827997 ] [ 0.441347 0.25998 0.499381 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.08748156 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.61667762131579 "source-unit" "eV" } }