{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 11.6747 10.892449 10.407642 10.055403 9.778586 9.55052 9.356578 9.187865 9.038566 8.904671 8.783296 8.6723 8.570045 8.475255 8.386914 8.3042 8.226439 8.153071 8.083626 8.017706 7.95497 7.895125 7.837916 7.78312 7.745817 7.706557 7.665123 7.621261 7.574667 7.524981 7.47176 7.414464 7.352416 7.284757 7.210369 7.127765 7.034902 6.928866 6.805291 6.657204 6.47241 6.2265 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1674700000000001e-09 1.0892449e-09 1.0407642e-09 1.0055403000000001e-09 9.778586000000001e-10 9.550520000000001e-10 9.356578000000002e-10 9.187865000000001e-10 9.038566e-10 8.904671e-10 8.783296e-10 8.6723e-10 8.570045e-10 8.475255000000001e-10 8.386914000000002e-10 8.3042e-10 8.226439e-10 8.153071000000001e-10 8.083626000000001e-10 8.017706000000001e-10 7.954970000000001e-10 7.895125000000001e-10 7.837916e-10 7.783120000000001e-10 7.745817000000001e-10 7.706557000000001e-10 7.665123000000001e-10 7.621261e-10 7.574667000000001e-10 7.524981000000001e-10 7.47176e-10 7.414464e-10 7.352416e-10 7.284757e-10 7.210369000000001e-10 7.127765e-10 7.034902e-10 6.928866e-10 6.805291e-10 6.657204000000001e-10 6.47241e-10 6.2265e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.6815 2.52048 3.25783 3.93364 4.56533 5.15708 5.7153 6.24004 6.73294 7.19499 7.62722 8.03048 8.40366 8.74662 9.06037 9.3444 9.59709 9.81792 10.0063 10.1617 10.2833 10.3706 10.4244 10.4425 10.4334 10.4026 10.3441 10.2496 10.1088 9.90642 9.62178 9.22573 8.67619 7.91062 6.83305 5.2912 3.02824 -0.409417 -5.89608 -15.2981 -33.2172 -74.0252 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6940599878752e-19 4.038254129193984e-19 5.219619060540864e-19 6.302386042643712e-19 7.314464992236865e-19 8.262553007595264e-19 9.15692004085824e-19 9.997646200856831e-19 1.0787359057249154e-18 1.1527644764889792e-18 1.2220153565698178e-18 1.2866247309801986e-18 1.346414758115213e-18 1.4013630075021697e-18 1.4516312989797698e-18 1.4971379215403522e-18 1.5376233225713472e-18 1.5730041888884738e-18 1.603185992071104e-18 1.628083816758336e-18 1.6475662844672642e-18 1.661553286366848e-18 1.6701729965867522e-18 1.6730729362704002e-18 1.6716149555454722e-18 1.666680251553408e-18 1.6573075183217279e-18 1.6421669492551679e-18 1.6196083024343043e-18 1.5871834519825539e-18 1.5415790966481023e-18 1.4781248915813186e-18 1.3900788775618752e-18 1.2674210420032897e-18 1.094775295875744e-18 8.47743693597696e-19 4.851775330171392e-19 -6.559583455580737e-20 -9.446561530366465e-19 -2.4510258162660483e-18 -5.321982124843776e-18 -1.1860144479004416e-17 ] } }