{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 7.19052 6.708729 6.410134 6.193188 6.022696 5.882229 5.762779 5.658868 5.566914 5.484448 5.409693 5.341329 5.27835 5.219969 5.165559 5.114615 5.066722 5.021534 4.978763 4.938162 4.899523 4.862664 4.827429 4.79368 4.770704 4.746524 4.721004 4.693989 4.665292 4.634689 4.60191 4.566621 4.528405 4.486732 4.440916 4.390039 4.332844 4.267535 4.191424 4.100215 3.986399 3.83494 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.19052e-10 6.708729e-10 6.410134000000001e-10 6.193188e-10 6.022696e-10 5.882229e-10 5.762779000000001e-10 5.658868e-10 5.566914e-10 5.484448000000001e-10 5.409693e-10 5.341329e-10 5.27835e-10 5.219969e-10 5.165559000000001e-10 5.114615e-10 5.066722e-10 5.021534e-10 4.978763e-10 4.938162e-10 4.899523000000001e-10 4.862664e-10 4.827429e-10 4.793680000000001e-10 4.770704e-10 4.746524e-10 4.721004e-10 4.693989e-10 4.665292e-10 4.634689e-10 4.6019100000000005e-10 4.566621e-10 4.528405e-10 4.486732e-10 4.4409159999999996e-10 4.390039e-10 4.332844e-10 4.267535e-10 4.1914239999999995e-10 4.1002150000000006e-10 3.986399e-10 3.83494e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.574294 1.19332 1.43123 1.63976 1.82442 1.98895 2.13605 2.26778 2.38576 2.49127 2.5854 2.66905 2.74297 2.80783 2.8642 2.91259 2.95344 2.98715 3.01407 3.03454 3.04885 3.05725 3.06 3.05866 3.05425 3.04603 3.0331 3.01428 2.988 2.95224 2.90424 2.8402 2.75479 2.64032 2.4853 2.2719 1.97106 1.53231 0.860328 -0.247312 -2.30456 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 9.201204202657152e-20 1.911909405133056e-19 2.2930832449875843e-19 2.627185135723008e-19 2.923043070519936e-19 3.1866491899401603e-19 3.4223293708598404e-19 3.6333840971178243e-19 3.822408894839808e-19 3.991454550100416e-19 4.14226743541632e-19 4.27628950974624e-19 4.394722405555777e-19 4.498639581180864e-19 4.58895427729536e-19 4.666483603975872e-19 4.731932518935552e-19 4.785941892822721e-19 4.829072487454656e-19 4.861869042882432e-19 4.88479619032608e-19 4.8982544739408e-19 4.902660459648e-19 4.9005135429761285e-19 4.893447944078401e-19 4.880278052255424e-19 4.85956190854848e-19 4.829408944545024e-19 4.7873037429504e-19 4.730009906990592e-19 4.653105429192192e-19 4.55050203839616e-19 4.413660133213632e-19 4.2302589754306562e-19 3.98188955567424e-19 3.63998506479552e-19 3.1579862501940484e-19 2.455031257818048e-19 1.3783974078196224e-19 -3.962375044432896e-20 -3.692312153230848e-19 ] } }