{ "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" [ 8.35899 7.798907 7.45179 7.19959 7.001392 6.8381 6.699239 6.578442 6.471546 6.375679 6.288776 6.209303 6.13609 6.068221 6.00497 5.945748 5.890072 5.837541 5.787819 5.740621 5.695703 5.652854 5.611893 5.57266 5.545951 5.517841 5.488175 5.45677 5.423409 5.387834 5.349728 5.308705 5.264279 5.215835 5.162574 5.10343 5.036941 4.96102 4.872541 4.766511 4.6342 4.45813 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.358990000000001e-10 7.798907e-10 7.45179e-10 7.19959e-10 7.001392000000001e-10 6.8381e-10 6.699239000000001e-10 6.578442e-10 6.471546e-10 6.375679000000001e-10 6.288776000000001e-10 6.209303e-10 6.13609e-10 6.068221e-10 6.00497e-10 5.945748e-10 5.890072000000001e-10 5.837541e-10 5.787819e-10 5.740621e-10 5.695703e-10 5.652854e-10 5.611893000000001e-10 5.57266e-10 5.545951e-10 5.517841e-10 5.488175e-10 5.45677e-10 5.423409000000001e-10 5.387834e-10 5.349728e-10 5.308705e-10 5.264279000000001e-10 5.215835000000001e-10 5.162574e-10 5.10343e-10 5.036941e-10 4.961020000000001e-10 4.872541e-10 4.766511e-10 4.6342e-10 4.45813e-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" [ 0.554811 1.127 1.55134 1.88046 2.14995 2.37875 2.57552 2.74418 2.88587 2.99293 3.07336 3.13667 3.18871 3.23263 3.26989 3.30116 3.32684 3.34736 3.36324 3.37508 3.38348 3.38899 3.39205 3.39302 3.39256 3.38961 3.3823 3.36943 3.34937 3.32003 3.27861 3.2215 3.14398 3.04005 2.90222 2.72145 2.48733 2.18852 1.8121 1.33426 0.663508 -0.749952 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.88905213162669e-20 1.8056530516416e-19 2.485520678911872e-19 3.0128290483495682e-19 3.44459962588896e-19 3.8111776367280004e-19 4.126437930402816e-19 4.396661039266944e-19 4.623673444668097e-19 4.795202473690944e-19 4.924065539301888e-19 5.025499341164736e-19 5.108876612511168e-19 5.179244209696705e-19 5.238941310587713e-19 5.289041373520128e-19 5.330185269142272e-19 5.363061933401088e-19 5.388504498139392e-19 5.407474269329665e-19 5.420932552944384e-19 5.429760546124993e-19 5.43466320658464e-19 5.436217317906817e-19 5.435480316661248e-19 5.430753895629888e-19 5.41904198453184e-19 5.398421971422144e-19 5.366282308408896e-19 5.319274446354624e-19 5.252912290721088e-19 5.1614119839072e-19 5.037211252262784e-19 4.87069703606304e-19 4.649869032418176e-19 4.36024356467616e-19 3.9851419742144645e-19 3.506395578153216e-19 2.9033042545516805e-19 2.137720178068608e-19 1.0630570053137665e-19 -1.2015555611222017e-19 ] } }