{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.99095 0.50905 0.49095 ] [ 0.00905 0.99095 0.49095 ] [ 0.00905 0.00905 0.00905 ] [ 0.99095 0.49095 0.00905 ] [ 0.49095 0.00905 0.99095 ] [ 0.50905 0.49095 0.99095 ] [ 0.50905 0.50905 0.50905 ] [ 0.49095 0.99095 0.50905 ] [ 0.755811 0.255811 0.244189 ] [ 0.244189 0.244189 0.244189 ] [ 0.244189 0.755811 0.255811 ] [ 0.755811 0.744189 0.255811 ] [ 0.255811 0.755811 0.744189 ] [ 0.744189 0.744189 0.744189 ] [ 0.744189 0.255811 0.755811 ] [ 0.255811 0.244189 0.755811 ] [ 0 0.25 0.270727 ] [ 0.5 0.25 0.729273 ] [ 0.75 0.770727 0.5 ] [ 0.229273 0 0.75 ] [ 0.270727 0 0.25 ] [ 0.25 0.729273 0.5 ] [ 0.5 0.75 0.770727 ] [ 0 0.75 0.229273 ] [ 0.25 0.270727 0 ] [ 0.729273 0.5 0.25 ] [ 0.770727 0.5 0.75 ] [ 0.75 0.229273 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.51421536 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.037095124285714 "source-unit" "eV" } }