{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 13.7948 12.870495 12.297647 11.881443 11.554357 11.284875 11.055714 10.856363 10.679952 10.521742 10.378326 10.247172 10.126348 10.014345 9.909961 9.812227 9.720345 9.633653 9.551597 9.473706 9.399578 9.328865 9.261266 9.19652 9.131065 9.063612 8.994038 8.922203 8.847956 8.771129 8.691536 8.608972 8.523204 8.433976 8.340995 8.243932 8.142412 8.036006 7.92422 7.80648 7.682118 7.550342 7.410213 7.2606 7.100125 6.927086 6.739348 6.53418 6.308011 6.056047 5.771636 5.445169 5.062014 4.59826 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37948e-09 1.2870495e-09 1.2297647e-09 1.1881443000000001e-09 1.1554357e-09 1.1284875e-09 1.1055714e-09 1.0856363e-09 1.0679952e-09 1.0521742e-09 1.0378326e-09 1.0247172e-09 1.0126348000000001e-09 1.0014345000000001e-09 9.909961e-10 9.812227e-10 9.720345e-10 9.633653000000001e-10 9.551597e-10 9.473706e-10 9.399578e-10 9.328865e-10 9.261266000000001e-10 9.19652e-10 9.131065e-10 9.063611999999999e-10 8.994038e-10 8.922203e-10 8.847956e-10 8.771129000000001e-10 8.691536e-10 8.608972e-10 8.523204e-10 8.433976e-10 8.340995e-10 8.243932e-10 8.142412e-10 8.036006000000001e-10 7.924220000000001e-10 7.80648e-10 7.682118e-10 7.550342e-10 7.410213e-10 7.260600000000001e-10 7.100125000000001e-10 6.927086e-10 6.739347999999999e-10 6.53418e-10 6.308011e-10 6.056047000000001e-10 5.771636e-10 5.445169e-10 5.062014e-10 4.59826e-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" [ 0.00616433 0.0320699 0.0677618 0.104819 0.139555 0.170749 0.198233 0.222248 0.24316 0.261343 0.277141 0.290851 0.302725 0.312974 0.321777 0.32928 0.335608 0.340867 0.345145 0.348519 0.351054 0.352807 0.353828 0.354159 0.35384 0.35316 0.351729 0.349441 0.346183 0.341824 0.336221 0.329215 0.320629 0.310263 0.297889 0.283238 0.265973 0.245654 0.221658 0.193061 0.159437 0.118647 0.0678323 0.00269961 -0.0834306 -0.201022 -0.366796 -0.608513 -0.973745 -1.54958 -2.5008 -4.15005 -7.18965 -13.3466 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.87634549026522e-22 5.138164443471659e-21 1.0856637263778119e-20 1.6793855259924597e-20 2.2359176015787e-20 2.73570058078866e-20 3.17604280687722e-20 3.5608055255323195e-20 3.895852703234399e-20 4.1871764805946197e-20 4.4402883452339404e-20 4.65994676175534e-20 4.8501892152765e-20 5.0143962984951595e-20 5.155435907586179e-20 5.2756472204352e-20 5.37703295783472e-20 5.461291427016779e-20 5.529832543419299e-20 5.58388998305046e-20 5.624505160722359e-20 5.652591317116379e-20 5.66894954054952e-20 5.67425274520806e-20 5.6691418017456e-20 5.658247000634399e-20 5.63531985300186e-20 5.598662051615939e-20 5.54646313688022e-20 5.476624257404159e-20 5.3868543006011394e-20 5.274605805623099e-20 5.13704291982786e-20 4.97096128994742e-20 4.77270795325626e-20 4.5379730546089193e-20 4.26135725874882e-20 3.93581098848636e-20 3.5513526833917196e-20 3.09317823136674e-20 2.5544623599505798e-20 1.90093451094198e-20 1.0867932609047819e-20 4.32525206291274e-22 -1.3367055788060038e-20 -3.22072751319948e-20 -5.87671980644664e-20 -9.749453100852419e-20 -1.5601114864743297e-19 -2.4827008685137197e-19 -4.0067233263071996e-19 -6.6491131399317e-19 -1.15190892366381e-18 -2.13836106633444e-18 ] } }