{ "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 6.244765 6.198634 6.151052 6.101924 6.051146 5.998604 5.944171 5.887704 5.829048 5.768024 5.704434 5.638053 5.568623 5.495852 5.419401 5.338879 5.253827 5.163705 5.067871 4.96555 4.855801 4.737459 4.609065 4.46875 4.314073 4.141754 3.947244 3.723973 3.461932 3.14477 ] "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 6.244765e-10 6.198634e-10 6.151052e-10 6.101924000000001e-10 6.051146e-10 5.998604000000001e-10 5.944171e-10 5.887704e-10 5.829048e-10 5.768024e-10 5.704434e-10 5.638053e-10 5.568623e-10 5.495852000000001e-10 5.419401e-10 5.338879000000001e-10 5.253827e-10 5.163705e-10 5.067871000000001e-10 4.96555e-10 4.855801e-10 4.737459000000001e-10 4.6090650000000004e-10 4.46875e-10 4.314073e-10 4.141754e-10 3.947244e-10 3.723973e-10 3.461932e-10 3.14477e-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 4.42478 4.41774 4.4061 4.38985 4.36887 4.34285 4.31159 4.27704 4.24212 4.20899 4.1782 4.14761 4.11105 4.05346 3.94834 3.75856 3.43399 2.9087 2.11771 1.00924 -0.472053 -2.40523 -5.1323 -9.34516 -16.0323 -25.7809 -38.8709 -58.0511 -90.7206 -151.234 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.834419435531239e-22 1.3862833325685e-20 2.4970723929206997e-20 3.39422722089534e-20 4.9259881918310395e-20 7.0939574823618e-20 1.058290538585922e-19 1.8355016172094198e-19 2.6781183525627e-19 3.4764829692848993e-19 4.16163778504866e-19 4.74048818114652e-19 5.240719769814e-19 5.681446518294719e-19 6.05585917589418e-19 6.36049704108294e-19 6.59971803430548e-19 6.77980268796708e-19 6.90693540387498e-19 6.990553002403439e-19 7.043168483063999e-19 7.073802100306079e-19 7.088878582432019e-19 7.0930762852131e-19 7.089279126590519e-19 7.07799980308716e-19 7.0593504670674e-19 7.0333150967649e-19 6.99970143098358e-19 6.9580127949669e-19 6.90792875338806e-19 6.85257355068336e-19 6.796625542624079e-19 6.7435454307396595e-19 6.6942144121788e-19 6.64520382894474e-19 6.586628251205699e-19 6.49435889885364e-19 6.32593809108756e-19 6.02187700948704e-19 5.50185853938966e-19 4.6602511753158e-19 3.3929454795881403e-19 1.6169807460981597e-19 -7.563122866096019e-20 -3.8536033053958197e-19 -8.222851138678199e-19 -1.4972596992991438e-18 -2.56865764492782e-18 -4.1305555583490594e-18 -6.227804772255059e-18 -9.30081159979974e-18 -1.453504255424604e-17 -2.42303581066356e-17 ] } }