{ "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" [ 8.145 7.599255 7.261024 7.015281 6.822157 6.663044 6.527739 6.410034 6.305875 6.212461 6.127783 6.050345 5.979006 5.912875 5.851243 5.793537 5.739286 5.6881 5.639651 5.593661 5.549893 5.508141 5.468229 5.43 5.403975 5.376584 5.347677 5.317076 5.28457 5.249905 5.212775 5.172801 5.129513 5.082309 5.030411 4.972782 4.907994 4.834017 4.747803 4.644487 4.515563 4.344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145e-10 7.599255000000001e-10 7.261024e-10 7.015281e-10 6.822157e-10 6.663044e-10 6.527739e-10 6.410034e-10 6.305875e-10 6.212461e-10 6.127783e-10 6.050345e-10 5.979006000000001e-10 5.912875e-10 5.851243000000001e-10 5.793537e-10 5.739286e-10 5.6881e-10 5.639651e-10 5.593661e-10 5.549893e-10 5.508141e-10 5.468229e-10 5.43e-10 5.403975e-10 5.376584000000001e-10 5.347677e-10 5.317076000000001e-10 5.28457e-10 5.249905e-10 5.212775e-10 5.172801e-10 5.129513000000001e-10 5.082309000000001e-10 5.030411e-10 4.972782e-10 4.907994e-10 4.834017e-10 4.747803000000001e-10 4.644487e-10 4.5155630000000005e-10 4.3440000000000007e-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" [ 0.0328573 0.8386 1.77177 2.49618 3.04658 3.47256 3.80918 4.07985 4.30048 4.48216 4.63284 4.7584 4.86325 4.9508 5.02369 5.08406 5.13361 5.17374 5.20558 5.23011 5.24813 5.26032 5.26728 5.2695 5.26845 5.26506 5.25887 5.24934 5.23576 5.21724 5.19261 5.15903 5.10502 5.00052 4.79722 4.43772 3.859 2.98071 1.67572 -0.282702 -3.32653 -8.48079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.264319788261184e-21 1.34358531420288e-19 2.838688471434816e-19 3.999321237308544e-19 4.881159249396864e-19 5.563654446325249e-19 6.102979140418945e-19 6.536640286370881e-19 6.890128514217984e-19 7.181211962684929e-19 7.422627935907073e-19 7.62379723241472e-19 7.791785451105601e-19 7.93205601425664e-19 8.048838668146753e-19 8.145562070744448e-19 8.224949922305088e-19 8.289245270097792e-19 8.340258573704065e-19 8.379559966212288e-19 8.408431188919104e-19 8.4279617219266565e-19 8.439112871207426e-19 8.442669703305601e-19 8.44098741785376e-19 8.435556039109249e-19 8.425638565826497e-19 8.410369822630273e-19 8.388612264119809e-19 8.358939953102593e-19 8.3194783429322885e-19 8.265677252005824e-19 8.179143692716416e-19 8.011716235842816e-19 7.685993728834176e-19 7.110011233656576e-19 6.1827995796672e-19 4.775623875384769e-19 2.684799407006976e-19 -4.5293853505340167e-20 -5.329688594389824e-19 -1.3587723463914434e-18 ] } }