{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 7.74582 7.226821 6.905167 6.671468 6.487808 6.336494 6.20782 6.095884 5.996829 5.907994 5.827465 5.753823 5.68598 5.62309 5.564478 5.5096 5.458008 5.409331 5.363256 5.31952 5.277897 5.238192 5.200235 5.16388 5.13913 5.113082 5.085592 5.05649 5.025577 4.992611 4.9573 4.919286 4.878118 4.833228 4.783873 4.729068 4.667456 4.597103 4.515114 4.416862 4.294256 4.1311 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.74582e-10 7.226821000000001e-10 6.905167e-10 6.671468e-10 6.487808000000001e-10 6.336494e-10 6.20782e-10 6.095884e-10 5.996829e-10 5.907994000000001e-10 5.827465e-10 5.753822999999999e-10 5.68598e-10 5.623090000000001e-10 5.564478e-10 5.5096e-10 5.458008000000001e-10 5.409331e-10 5.363256e-10 5.31952e-10 5.277897e-10 5.238192e-10 5.200235e-10 5.16388e-10 5.13913e-10 5.113082e-10 5.085592e-10 5.05649e-10 5.025577000000001e-10 4.992611e-10 4.9573e-10 4.919285999999999e-10 4.878117999999999e-10 4.833228e-10 4.783873e-10 4.729068e-10 4.667456e-10 4.597103e-10 4.5151139999999996e-10 4.4168620000000003e-10 4.294256e-10 4.1311000000000003e-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" [ 8.18179 68.0229 256.156 676.811 1466.96 2803.78 4898.73 7940.37 11909.9 16133.6 18618.7 18251.3 17217.2 17377.8 17406.3 17407.4 17407.9 17408.2 17408.4 17408.5 17408.6 17408.6 17408.7 17408.7 17408.7 17408.7 17408.6 17408.6 17408.6 17408.6 17408.5 17408.5 17408.4 17408.4 17408.3 17408.2 17408.1 17407.9 17407.7 17407.3 17406.8 17406 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3108672654295231e-18 1.0898470005901634e-17 4.1040715447764486e-17 1.0843707609002689e-16 2.350329015648768e-16 4.492150765866625e-16 7.848630677611584e-16 1.2721875174501698e-15 1.908176333606592e-15 2.584887672933888e-15 2.9830445849688964e-15 2.924180615920704e-15 2.758499531563776e-15 2.784230488093824e-15 2.788796691463104e-15 2.7889729308913922e-15 2.7890530397224323e-15 2.7891011050210564e-15 2.7891331485534723e-15 2.78914917031968e-15 2.789165192085888e-15 2.789165192085888e-15 2.7891812138520964e-15 2.7891812138520964e-15 2.7891812138520964e-15 2.7891812138520964e-15 2.789165192085888e-15 2.789165192085888e-15 2.789165192085888e-15 2.789165192085888e-15 2.78914917031968e-15 2.78914917031968e-15 2.7891331485534723e-15 2.7891331485534723e-15 2.789117126787264e-15 2.7891011050210564e-15 2.789085083254848e-15 2.7890530397224323e-15 2.7890209961900163e-15 2.788956909125184e-15 2.788876800294144e-15 2.7887486261644802e-15 ] } }