{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.89971 8.303397 7.933825 7.665312 7.454293 7.280438 7.132595 7.003984 6.890173 6.788104 6.695579 6.610966 6.533017 6.460758 6.393415 6.330362 6.271084 6.215155 6.162217 6.111966 6.064142 6.018522 5.974911 5.93314 5.904703 5.874775 5.843189 5.809753 5.774234 5.736357 5.695787 5.652109 5.604809 5.553232 5.496525 5.433555 5.362765 5.281932 5.18773 5.074841 4.93397 4.74651 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.899710000000001e-10 8.303397000000001e-10 7.933825e-10 7.665312e-10 7.454293e-10 7.280438000000001e-10 7.132595e-10 7.003984e-10 6.890173e-10 6.788104e-10 6.695579000000001e-10 6.610966000000001e-10 6.533017e-10 6.460758e-10 6.393415e-10 6.330362e-10 6.271084e-10 6.215155000000001e-10 6.162217e-10 6.111966e-10 6.064142000000001e-10 6.018522e-10 5.974911e-10 5.93314e-10 5.904703e-10 5.874775e-10 5.843189e-10 5.809752999999999e-10 5.774234e-10 5.736357e-10 5.695787e-10 5.652109e-10 5.604809000000001e-10 5.553232000000001e-10 5.496525e-10 5.433555e-10 5.362765e-10 5.281932e-10 5.187730000000001e-10 5.074841000000001e-10 4.93397e-10 4.74651e-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" [ 0.0876752 0.148869 0.207328 0.260626 0.309574 0.354559 0.397698 0.438279 0.475341 0.509406 0.540586 0.568981 0.594681 0.617769 0.63832 0.656405 0.672092 0.685442 0.696517 0.705375 0.712073 0.716664 0.719444 0.720416 0.719939 0.718361 0.715413 0.710691 0.703751 0.694045 0.680797 0.662959 0.6391 0.607223 0.564648 0.50823 0.430849 0.322327 0.166893 -0.0624073 -0.411932 -0.938751 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4047115566396415e-20 2.3851443136187522e-20 3.3217607443722246e-20 4.1756888397262084e-20 4.959922252075392e-20 5.680661404942272e-20 6.371824377389184e-20 7.022003671876032e-20 7.615802371076929e-20 8.161583836952449e-20 8.661142507317888e-20 9.116080558794048e-20 9.527839950339649e-20 9.897750488549953e-20 1.022701380589056e-19 1.051676744776224e-19 1.0768100894267137e-19 1.0981991473143936e-19 1.1159432533897538e-19 1.1301353338968e-19 1.1408667129029185e-19 1.1482223057690113e-19 1.1526763567748353e-19 1.1542336724502528e-19 1.1534694342021313e-19 1.150941199494509e-19 1.1462179828163905e-19 1.1386525048129728e-19 1.127533399064621e-19 1.111982672783136e-19 1.0907570369107776e-19 1.0621774103489472e-19 1.02395107835328e-19 9.728784942120384e-20 9.046658245814786e-20 8.14274223989184e-20 6.902961948950592e-20 5.164247836526016e-20 2.6739206277517443e-20 -9.998751702725185e-21 -6.599878197593856e-20 -1.5040449049526208e-19 ] } }