{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.91014 8.313127 7.943122 7.674294 7.463028 7.288968 7.140952 7.01219 6.898245 6.796057 6.703424 6.618711 6.54067 6.468327 6.400905 6.337778 6.278431 6.222436 6.169436 6.119126 6.071246 6.025572 5.98191 5.94009 5.897812 5.854244 5.809305 5.762907 5.71495 5.665327 5.613917 5.560588 5.50519 5.447557 5.3875 5.324806 5.259234 5.190505 5.118302 5.042253 4.961926 4.876812 4.786301 4.689665 4.586013 4.474246 4.352985 4.220465 4.074381 3.911635 3.727932 3.517065 3.269582 2.97004 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.91014e-10 8.313127e-10 7.943122e-10 7.674294e-10 7.463028000000001e-10 7.288967999999999e-10 7.140952000000001e-10 7.012190000000001e-10 6.898245000000001e-10 6.796057000000001e-10 6.703424e-10 6.618711e-10 6.540670000000001e-10 6.468327000000001e-10 6.400905e-10 6.337778000000001e-10 6.278431e-10 6.222436e-10 6.169436000000001e-10 6.119126e-10 6.071246000000001e-10 6.025572000000001e-10 5.98191e-10 5.94009e-10 5.897812000000001e-10 5.854244e-10 5.809305e-10 5.762907e-10 5.71495e-10 5.665326999999999e-10 5.613917e-10 5.560588000000001e-10 5.50519e-10 5.447557e-10 5.3875e-10 5.324806e-10 5.259234e-10 5.190505e-10 5.118302e-10 5.042253e-10 4.961926e-10 4.876812e-10 4.786301e-10 4.689665e-10 4.5860130000000005e-10 4.474246e-10 4.352985e-10 4.2204650000000003e-10 4.074381e-10 3.911635e-10 3.727932e-10 3.5170650000000004e-10 3.269582e-10 2.97004e-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" [ 0.831246 0.924619 0.981954 1.02203 1.05185 1.07485 1.09297 1.14549 1.16967 1.18222 1.1927 1.20145 1.20873 1.21475 1.21967 1.22363 1.22674 1.22909 1.23076 1.23183 1.23234 1.23263 1.24074 1.24257 1.24203 1.24093 1.23926 1.23693 1.23384 1.2299 1.22496 1.21888 1.21146 1.20249 1.1917 1.17878 1.16334 1.14491 1.12289 1.09654 1.06488 1.02682 0.980797 0.924745 0.855942 0.770662 0.663695 0.52756 0.351165 0.117423 -0.201255 -0.652136 -1.32267 -2.39243 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.331802918305964e-19 1.481402957152446e-19 1.573263754462836e-19 1.6374725852470198e-19 1.6852494924728997e-19 1.7220995550549e-19 1.7511309956629798e-19 1.8352773124806598e-19 1.8740179434907797e-19 1.8941252602474799e-19 1.9109160713718e-19 1.9249351169192998e-19 1.93659896281482e-19 1.9462440661515e-19 1.95412677519078e-19 1.9604713946614198e-19 1.96545416399316e-19 1.96921927908306e-19 1.97189491406184e-19 1.97360924306022e-19 1.97442635314356e-19 1.9748909843674196e-19 1.9878846368691598e-19 1.9908166201093798e-19 1.9899514447270197e-19 1.98818905042962e-19 1.98551341545084e-19 1.98178034389362e-19 1.9768296180945599e-19 1.9705170421565998e-19 1.96260228958464e-19 1.95286105564992e-19 1.9409729050256397e-19 1.92660138061866e-19 1.9093138947378e-19 1.8886137726265197e-19 1.86387616539756e-19 1.83434805003294e-19 1.7990681205522598e-19 1.75685076624636e-19 1.70612585401392e-19 1.64514701132388e-19 1.571410036097298e-19 1.48160483140833e-19 1.371370272459228e-19 1.2347366491117078e-19 1.0633566211026299e-19 8.4524430503304e-20 5.626283576786099e-20 1.8813238689418197e-20 -3.2244605847566995e-20 -1.0448370613902241e-19 -2.11915096849278e-19 -3.8330954444806196e-19 ] } }