{ "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" [ "Tm" "Tm" "Tm" "Tm" ] } "a" { "source-value" [ 7.839 7.313758 6.988234 6.751724 6.565855 6.41272 6.282498 6.169215 6.068969 5.979065 5.897568 5.823039 5.75438 5.690734 5.631417 5.575879 5.523666 5.474403 5.427775 5.383513 5.341389 5.301206 5.262793 5.226 5.200953 5.174591 5.14677 5.117319 5.086034 5.052671 5.016936 4.978464 4.936802 4.891372 4.841424 4.785959 4.723606 4.652407 4.569432 4.469998 4.345918 4.1808 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.839000000000001e-10 7.313758e-10 6.988234e-10 6.751724000000001e-10 6.565855e-10 6.41272e-10 6.282498e-10 6.169215e-10 6.068969e-10 5.979065000000001e-10 5.897568e-10 5.823038999999999e-10 5.75438e-10 5.690734e-10 5.631417e-10 5.575879e-10 5.523666000000001e-10 5.474403e-10 5.427775e-10 5.383513e-10 5.341389e-10 5.301206e-10 5.262793000000001e-10 5.226e-10 5.200953e-10 5.174591e-10 5.14677e-10 5.117319e-10 5.086034e-10 5.052671000000001e-10 5.016936000000001e-10 4.978464e-10 4.936802000000001e-10 4.891372e-10 4.841424e-10 4.785959e-10 4.723606e-10 4.6524070000000006e-10 4.569432e-10 4.4699980000000005e-10 4.3459180000000005e-10 4.1807999999999997e-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" [ 0.704444 1.05258 1.36065 1.64257 1.9045 2.14955 2.38052 2.59788 2.80207 2.99398 3.17344 3.34044 3.49513 3.63762 3.76748 3.88457 3.98871 4.07998 4.15783 4.222 4.27224 4.30846 4.33078 4.33829 4.33451 4.32179 4.29756 4.25847 4.19997 4.11592 3.99777 3.83347 3.60572 3.28909 2.8434 2.2053 1.269 -0.154177 -2.425 -6.31575 -13.7348 -30.6296 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1286437074628352e-19 1.6864190675216641e-19 2.18000161909152e-19 2.6316872520274564e-19 3.0513453743136004e-19 3.4439587552406404e-19 3.8140134893468167e-19 4.162262599643904e-19 4.489411043845056e-19 4.796884759142785e-19 5.084411375511552e-19 5.351974871185152e-19 5.599815572656705e-19 5.828109719354497e-19 6.036168375331584e-19 6.223767235861056e-19 6.390617909151168e-19 6.536848569331584e-19 6.661578019260864e-19 6.764389693017601e-19 6.844883046446593e-19 6.902913883651969e-19 6.938674465828224e-19 6.950706812250432e-19 6.9446505846238085e-19 6.924270898007233e-19 6.885450158485248e-19 6.822821074378177e-19 6.729093742061377e-19 6.594430797083137e-19 6.405133629335616e-19 6.141896010538177e-19 5.777000285150976e-19 5.269703101707073e-19 4.55562900358272e-19 3.53328010185024e-19 2.0331621317952e-19 -2.4701878486508163e-20 -3.88527830544e-19 -1.01189469928176e-18 -2.2005575451363842e-18 -4.9074029024455684e-18 ] } }