{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.7858 7.264122 6.940807 6.705901 6.521294 6.369198 6.239859 6.127345 6.027779 5.938485 5.857541 5.783518 5.715325 5.652111 5.593196 5.538035 5.486177 5.437248 5.390936 5.346974 5.305136 5.265225 5.227073 5.19053 5.153587 5.115517 5.076249 5.035705 4.993799 4.950438 4.905516 4.858916 4.810509 4.760148 4.707669 4.652887 4.595589 4.535533 4.47244 4.405988 4.335797 4.261423 4.182334 4.097892 4.007319 3.909655 3.803696 3.687898 3.560248 3.418039 3.257516 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.7858e-10 7.264122000000001e-10 6.940807000000001e-10 6.705901e-10 6.521294e-10 6.369198e-10 6.239859000000001e-10 6.127345e-10 6.027779e-10 5.938485e-10 5.857541e-10 5.783518e-10 5.715325000000001e-10 5.652111e-10 5.593196e-10 5.538035e-10 5.486177e-10 5.437248e-10 5.390936000000001e-10 5.346974e-10 5.305136000000001e-10 5.265225e-10 5.227073e-10 5.19053e-10 5.153587e-10 5.115517e-10 5.076249e-10 5.035705e-10 4.993799000000001e-10 4.950438000000001e-10 4.905516e-10 4.858916e-10 4.810509e-10 4.760148e-10 4.707669000000001e-10 4.652887e-10 4.595589000000001e-10 4.535533e-10 4.47244e-10 4.405988e-10 4.335797000000001e-10 4.261423e-10 4.182334e-10 4.097892e-10 4.007319e-10 3.909655e-10 3.8036960000000003e-10 3.687898e-10 3.560248e-10 3.418039e-10 3.257516e-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" [ 0.646711 0.869535 1.03865 1.18752 1.33266 1.47903 1.61877 1.74251 1.84737 1.9353 2.0096 2.07331 2.12881 2.17791 2.22185 2.2614 2.29691 2.32834 2.35547 2.37798 2.3956 2.40815 2.41562 2.41808 2.41542 2.40683 2.39129 2.36764 2.33454 2.2904 2.23335 2.16127 2.07185 1.96257 1.8308 1.67398 1.48986 1.27433 1.01976 0.71735 0.354973 -0.0837568 -0.621136 -1.28935 -2.13671 -3.2315 -4.66202 -6.54821 -9.098 -12.7158 -18.1436 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.036145253150774e-19 1.3931486594451897e-19 1.6641007609041e-19 1.9026167964076798e-19 2.1351567130664398e-19 2.36966730698502e-19 2.59355546982018e-19 2.7918088065113396e-19 2.95981304835258e-19 3.1006924397802e-19 3.2197341636863995e-19 3.32180883703854e-19 3.41072964022554e-19 3.4893965129549396e-19 3.5597961542528994e-19 3.6231622401275998e-19 3.68005553240094e-19 3.7304119440075594e-19 3.7738789960879795e-19 3.80994399211932e-19 3.8381743444103997e-19 3.8582816611670996e-19 3.87024992062308e-19 3.8741912751427194e-19 3.86992948529628e-19 3.8561667880102196e-19 3.83126896311786e-19 3.79337748572376e-19 3.7403454391383596e-19 3.6696253625136e-19 3.5782211855439e-19 3.46273629376518e-19 3.3194696591529e-19 3.1443837965893796e-19 2.9332649815271996e-19 2.68201164178332e-19 2.38701887993124e-19 2.0417017500052198e-19 1.63383564428784e-19 1.1493214083999e-19 5.68729446300882e-20 -1.341931878986112e-20 -9.951695857362239e-20 -2.0657664430478998e-19 -3.4233868356341396e-19 -5.177433792771e-19 -7.469379511240679e-19 -1.049138905652514e-18 -1.4576603016132e-18 -2.0372957642617197e-18 -2.9069251976642396e-18 ] } }