{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 9.4343 8.802166 8.410395 8.125753 7.902058 7.717759 7.561035 7.424699 7.304051 7.195851 7.097769 7.008072 6.925441 6.848842 6.777454 6.710613 6.647774 6.588486 6.532368 6.479098 6.428401 6.380041 6.33381 6.28953 6.259385 6.227659 6.194176 6.158731 6.121079 6.080927 6.037919 5.991618 5.941477 5.886801 5.826688 5.759935 5.684893 5.599204 5.499343 5.379673 5.230341 5.03162 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.434300000000001e-10 8.802166e-10 8.410395e-10 8.125753e-10 7.902058e-10 7.717759e-10 7.561035000000001e-10 7.424699000000001e-10 7.304051000000001e-10 7.195851000000001e-10 7.097769e-10 7.008072e-10 6.925441e-10 6.848842e-10 6.777453999999999e-10 6.710613000000001e-10 6.647774000000001e-10 6.588486e-10 6.532368e-10 6.479098e-10 6.428401000000001e-10 6.380041e-10 6.333809999999999e-10 6.28953e-10 6.259385e-10 6.227659e-10 6.194176e-10 6.158731e-10 6.121079e-10 6.080927e-10 6.037919e-10 5.991618e-10 5.941477000000001e-10 5.886801e-10 5.826688e-10 5.759935e-10 5.684893e-10 5.599204000000001e-10 5.499343e-10 5.379673e-10 5.230341000000001e-10 5.031620000000001e-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" [ 0.00488986 0.086525 0.155855 0.211851 0.307456 0.44277 0.660533 1.14563 1.67155 2.16985 2.59749 2.95878 3.271 3.54608 3.77977 3.96991 4.11922 4.23162 4.31097 4.36316 4.396 4.41512 4.42453 4.42715 4.42606 4.42268 4.41683 4.40826 4.39668 4.38168 4.36273 4.33906 4.30997 4.27649 4.24077 4.20488 4.16922 4.12833 4.05698 3.86682 3.31675 1.75575 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.834419370985089e-22 1.3862833211472e-20 2.4970723723478402e-20 3.3942271929310086e-20 4.925988151246848e-20 7.093957423916161e-20 1.0582905298668865e-19 1.835501602087104e-19 2.67811833049824e-19 3.47648294064288e-19 4.1616377507617923e-19 4.740488142090624e-19 5.240719726636801e-19 5.681446471486464e-19 6.055859126001217e-19 6.360496988680128e-19 6.599717979931777e-19 6.779802632109697e-19 6.906935346970177e-19 6.990552944809728e-19 7.043168425036801e-19 7.073802042026496e-19 7.088878524028224e-19 7.093076226774721e-19 7.091329854258048e-19 7.085914497279744e-19 7.076541764048065e-19 7.062811110407809e-19 7.044257905138944e-19 7.020225255826944e-19 6.989864008862784e-19 6.9519404882484485e-19 6.905333170349377e-19 6.851692297084992e-19 6.794462548190017e-19 6.736960429269505e-19 6.679826810971776e-19 6.614313808947264e-19 6.499998507053185e-19 6.195328600841856e-19 5.3140193070384e-19 2.8130216019696e-19 ] } }