{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14575 7.599955 7.261692 7.015927 6.822785 6.663658 6.52834 6.410625 6.306455 6.213033 6.128347 6.050902 5.979557 5.913419 5.851782 5.79407 5.739814 5.688624 5.64017 5.594176 5.550404 5.508649 5.468732 5.4305 5.404472 5.377079 5.34817 5.317566 5.285056 5.250389 5.213255 5.173278 5.129985 5.082777 5.030875 4.973239 4.908446 4.834462 4.74824 4.644915 4.515979 4.3444 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14575e-10 7.599955e-10 7.261692e-10 7.015927e-10 6.822785e-10 6.663658000000001e-10 6.52834e-10 6.410625e-10 6.306455e-10 6.213033e-10 6.128347e-10 6.050902e-10 5.979557e-10 5.913419e-10 5.851782e-10 5.794069999999999e-10 5.739814e-10 5.688624e-10 5.640170000000001e-10 5.594176e-10 5.550404000000001e-10 5.508649e-10 5.468732000000001e-10 5.4305e-10 5.404472000000001e-10 5.377079e-10 5.34817e-10 5.317566000000001e-10 5.285056e-10 5.250389e-10 5.213255e-10 5.173278e-10 5.129985e-10 5.082777e-10 5.030875e-10 4.973239000000001e-10 4.908446e-10 4.834462e-10 4.748240000000001e-10 4.6449150000000003e-10 4.5159789999999997e-10 4.3444000000000005e-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" [ 0 0 0 0.0179495 0.530879 1.42865 2.1523 2.673 3.06536 3.37474 3.62834 3.84098 4.01966 4.16749 4.28679 4.38217 4.4579 4.51733 4.56312 4.59741 4.62194 4.63813 4.64714 4.64995 4.64866 4.64453 4.63711 4.62587 4.61017 4.58918 4.56191 4.52704 4.48292 4.42733 4.35727 4.26859 4.15529 4.00836 3.81348 3.54623 3.1604 2.55378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.8758269255049603e-21 8.505619222736832e-20 2.28894962930592e-19 3.44836474094784e-19 4.2826181073984e-19 4.911248126335488e-19 5.406929529278592e-19 5.813241520313473e-19 6.153928356960385e-19 6.440205275564928e-19 6.677055045417793e-19 6.868194716279232e-19 7.021010322371137e-19 7.142343157864321e-19 7.237560514438464e-19 7.310924181904896e-19 7.365862818232128e-19 7.405164210740353e-19 7.431103450231105e-19 7.445539061584513e-19 7.45004117788896e-19 7.447974370048128e-19 7.441357380604224e-19 7.4294692300778885e-19 7.411460764860097e-19 7.386306591913537e-19 7.352676904642944e-19 7.308985548193728e-19 7.253117649426433e-19 7.182429616916736e-19 7.093364618566466e-19 6.981116124513216e-19 6.839035101780672e-19 6.657508490644032e-19 6.422100679749888e-19 6.109868499888385e-19 5.681686797979584e-19 5.063518992376321e-19 4.0916066106666244e-19 ] } }