{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42244 5.059116 4.833943 4.670343 4.541772 4.435845 4.345767 4.267407 4.198063 4.135875 4.079501 4.027948 3.980454 3.936428 3.895398 3.85698 3.820864 3.786787 3.754533 3.723916 3.694777 3.666982 3.64041 3.61496 3.589231 3.562717 3.535369 3.507132 3.477947 3.447748 3.416461 3.384007 3.350294 3.31522 3.278671 3.240517 3.200612 3.158786 3.114845 3.068564 3.01968 2.967882 2.9128 2.85399 2.790911 2.722893 2.649097 2.56845 2.479548 2.380506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42244e-10 5.059116000000001e-10 4.833942999999999e-10 4.670343e-10 4.541772e-10 4.4358449999999997e-10 4.3457670000000005e-10 4.2674070000000003e-10 4.1980630000000003e-10 4.1358750000000005e-10 4.0795009999999995e-10 4.0279480000000004e-10 3.980454e-10 3.936428e-10 3.895398e-10 3.85698e-10 3.820864e-10 3.7867870000000003e-10 3.754533e-10 3.7239160000000004e-10 3.6947770000000004e-10 3.6669820000000003e-10 3.64041e-10 3.61496e-10 3.589231e-10 3.5627170000000003e-10 3.5353690000000005e-10 3.507132e-10 3.477947e-10 3.4477479999999997e-10 3.416461e-10 3.384007e-10 3.350294e-10 3.3152200000000003e-10 3.2786710000000003e-10 3.240517e-10 3.200612e-10 3.158786e-10 3.114845e-10 3.068564e-10 3.0196800000000003e-10 2.967882e-10 2.9128e-10 2.85399e-10 2.790911e-10 2.7228930000000003e-10 2.649097e-10 2.56845e-10 2.479548e-10 2.380506e-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" [ 0.905215 1.35247 1.69469 1.96483 2.19364 2.39606 2.57381 2.72751 2.85969 2.97334 3.07108 3.15507 3.22711 3.28873 3.34131 3.38604 3.42393 3.45578 3.48215 3.50337 3.51961 3.53103 3.53778 3.53999 3.53763 3.53006 3.51668 3.49691 3.46845 3.42915 3.377 3.30978 3.22498 3.1197 2.99055 2.83333 2.64259 2.41078 2.12733 1.77778 1.34322 0.799573 0.115219 -0.755366 -1.88537 -3.39174 -5.43973 -8.25241 -12.1684 -17.7653 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4503143217463098e-19 2.16689583218598e-19 2.71519271987346e-19 3.1480047157822197e-19 3.5145987514077595e-19 3.8389113456620394e-19 4.1236982423555394e-19 4.36995279100134e-19 4.58172849848346e-19 4.76381587293756e-19 4.920412617144719e-19 5.05497943263438e-19 5.1704002373477395e-19 5.26912636153482e-19 5.35336880895054e-19 5.42503416978936e-19 5.485740642451619e-19 5.536769968244519e-19 5.579019366083099e-19 5.61301755425658e-19 5.639036902792739e-19 5.65733375995302e-19 5.66814845223252e-19 5.671689262593659e-19 5.667908125737419e-19 5.65577964861804e-19 5.63434252525512e-19 5.60266749320094e-19 5.557069546197299e-19 5.4941040044811e-19 5.410550493017999e-19 5.30285217968052e-19 5.16698760111732e-19 4.998310445089799e-19 4.7913893328087e-19 4.53949512241122e-19 4.23389595124206e-19 3.8624953857145196e-19 3.40835841880722e-19 2.84831757639252e-19 2.15207569832148e-19 1.2810571777772818e-19 1.84601189592846e-20 -1.210229755318044e-19 -3.02069576044458e-19 -5.43416657660316e-19 -8.71540830126882e-19 -1.3221818476187938e-18 -1.9495926153165598e-18 -2.8463148556000197e-18 ] } }