{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.21189 7.661662 7.320653 7.072892 6.878182 6.717762 6.581345 6.462674 6.357659 6.263478 6.178105 6.10003 6.028105 5.961431 5.899293 5.841113 5.786416 5.73481 5.685963 5.639596 5.595468 5.553373 5.513133 5.47459 5.448351 5.420736 5.391591 5.360739 5.327965 5.293016 5.255581 5.215279 5.171635 5.124043 5.071719 5.013616 4.948297 4.873711 4.786789 4.682625 4.552642 4.37967 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.21189e-10 7.661662e-10 7.320653e-10 7.072892000000001e-10 6.878182000000001e-10 6.717762e-10 6.581345e-10 6.462674e-10 6.357659e-10 6.263478e-10 6.178105e-10 6.100030000000001e-10 6.028105000000001e-10 5.961431e-10 5.899293e-10 5.841113000000001e-10 5.786416e-10 5.734810000000001e-10 5.685963e-10 5.639596000000001e-10 5.595468e-10 5.553373e-10 5.513133e-10 5.47459e-10 5.448351e-10 5.420736e-10 5.391591e-10 5.360739e-10 5.327965e-10 5.293016e-10 5.255581e-10 5.215279e-10 5.171635000000001e-10 5.124043e-10 5.071719e-10 5.013616e-10 4.948297e-10 4.873711e-10 4.786789e-10 4.682625e-10 4.552642e-10 4.37967e-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" [ 1.0215 1.98901 2.32471 2.57381 2.94578 3.29246 3.57301 3.77494 3.89411 3.96033 4.01686 4.08069 4.15671 4.24455 4.33882 4.43348 4.52428 4.60846 4.68301 4.74542 4.79573 4.83341 4.85692 4.86489 4.86107 4.84874 4.82649 4.79306 4.7471 4.68685 4.60957 4.51003 4.37986 4.20668 3.97648 3.69112 3.36534 2.96852 2.45223 1.79122 0.820695 -0.909747 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6366234181472e-19 3.1867453205374083e-19 3.7245960121399685e-19 4.1236982083812483e-19 4.7196598460202245e-19 5.275102436919169e-19 5.724593087884608e-19 6.048120612922753e-19 6.239052000823488e-19 6.345148136652864e-19 6.435719181026689e-19 6.537986114732352e-19 6.659783581445569e-19 6.800518775816641e-19 6.951555965859456e-19 7.103218004784385e-19 7.248695641953025e-19 7.383566869891969e-19 7.503009136972609e-19 7.603000979876736e-19 7.683606485669184e-19 7.743976500740928e-19 7.781643673095936e-19 7.794413020763712e-19 7.788292706072256e-19 7.768537868337793e-19 7.732889438524992e-19 7.679328674091648e-19 7.60569263659968e-19 7.50916149519648e-19 7.385345285941056e-19 7.225864625106625e-19 7.017309294377089e-19 6.739844347186945e-19 6.371023289078784e-19 5.913826168567297e-19 5.391869069043072e-19 4.756093342377216e-19 3.9289055748243844e-19 2.869850806709376e-19 1.314898341807456e-19 -1.4575753742429377e-19 ] } }