{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.34194 4.98401 4.762179 4.601007 4.474345 4.36999 4.281249 4.204052 4.135738 4.074472 4.018936 3.968147 3.921359 3.877987 3.837565 3.799718 3.764137 3.730567 3.698791 3.668628 3.639923 3.612539 3.586363 3.56129 3.544221 3.526257 3.507298 3.487228 3.465909 3.443174 3.418822 3.392605 3.364214 3.333255 3.299217 3.26142 3.218929 3.17041 3.113867 3.046106 2.961551 2.84903 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34194e-10 4.98401e-10 4.762179e-10 4.601007e-10 4.4743449999999996e-10 4.36999e-10 4.281249e-10 4.204052e-10 4.135738e-10 4.074472e-10 4.018936e-10 3.9681470000000005e-10 3.921359e-10 3.8779870000000005e-10 3.8375650000000005e-10 3.799718e-10 3.764137e-10 3.7305670000000004e-10 3.698791e-10 3.6686280000000003e-10 3.639923e-10 3.612539e-10 3.586363e-10 3.5612900000000003e-10 3.544221e-10 3.5262570000000003e-10 3.5072980000000003e-10 3.487228e-10 3.465909e-10 3.443174e-10 3.418822e-10 3.3926050000000003e-10 3.364214e-10 3.333255e-10 3.299217e-10 3.2614200000000004e-10 3.218929e-10 3.17041e-10 3.1138670000000003e-10 3.0461060000000003e-10 2.9615510000000003e-10 2.84903e-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 0.00181898 0.940939 2.45434 3.4867 4.21275 4.77843 5.24673 5.64401 5.98121 6.26316 6.49433 6.68358 6.8387 6.96567 7.06915 7.15282 7.21962 7.27194 7.31174 7.34063 7.35996 7.37087 7.37431 7.37271 7.36753 7.35815 7.34381 7.32356 7.29619 7.26018 7.21356 7.15373 7.07719 6.97912 6.85265 6.68768 6.46859 6.16989 4.97184 -4.71495 -11.7893 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.91432725371332e-22 1.5075504798193258e-19 3.93228619989156e-19 5.586309269767799e-19 6.749569614883499e-19 7.65588889320462e-19 8.40618821090682e-19 9.042700944062338e-19 9.58295490504714e-19 1.0034688607003439e-18 1.0405063779485218e-18 1.0708275707469719e-18 1.0956805346935799e-18 1.1160233714154779e-18 1.1326026952241098e-18 1.146008107120788e-18 1.1567106470359078e-18 1.1650932351849958e-18 1.1714698981883159e-18 1.176098586483942e-18 1.1791955939174639e-18 1.1809435686251579e-18 1.181494717387254e-18 1.1812383691258138e-18 1.180408441629402e-18 1.1789055999467099e-18 1.176608078653554e-18 1.1733636709697038e-18 1.168978513522446e-18 1.163209075463412e-18 1.155739727995704e-18 1.1461539051944819e-18 1.133890845237846e-18 1.1181782989882079e-18 1.0979155710980099e-18 1.071484463166912e-18 1.0363823752926058e-18 9.88525359235026e-19 7.96576587598656e-19 -7.554182720478299e-19 -1.88885409912162e-18 ] } }