{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.17593 7.628112 7.288597 7.041921 6.848064 6.688347 6.552527 6.434376 6.329821 6.236053 6.151053 6.073321 6.001711 5.935329 5.873463 5.815537 5.76108 5.7097 5.661067 5.614903 5.570968 5.529058 5.488994 5.45062 5.424496 5.397002 5.367985 5.337268 5.304638 5.269842 5.232571 5.192446 5.148993 5.10161 5.049516 4.991667 4.926634 4.852376 4.765835 4.662127 4.532714 4.3605 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17593e-10 7.628112e-10 7.288597e-10 7.041921000000001e-10 6.848064e-10 6.688347e-10 6.552527e-10 6.434376000000001e-10 6.329821e-10 6.236053e-10 6.151053e-10 6.073321000000001e-10 6.001711e-10 5.935329e-10 5.873463e-10 5.815537000000001e-10 5.76108e-10 5.7097e-10 5.661067e-10 5.614903e-10 5.570968e-10 5.529058e-10 5.488994000000001e-10 5.45062e-10 5.424496000000001e-10 5.397002e-10 5.367985e-10 5.337268e-10 5.304638e-10 5.269842e-10 5.232571e-10 5.192446000000001e-10 5.148993e-10 5.10161e-10 5.049516e-10 4.991667e-10 4.926634e-10 4.852375999999999e-10 4.765835e-10 4.662127e-10 4.5327140000000006e-10 4.3605e-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" [ 0.682009 0.933538 1.10641 1.20348 1.29027 1.38891 1.49731 1.60219 1.69278 1.76574 1.82136 1.86345 1.89584 1.92132 1.94196 1.95925 1.97427 1.98778 2.00016 2.01124 2.02049 2.02745 2.03176 2.03323 2.03249 2.02996 2.02521 2.01773 2.00689 1.99191 1.97181 1.94532 1.91075 1.86603 1.80862 1.73511 1.64058 1.517 1.35182 1.12257 0.778934 -0.0138344 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.092698883977706e-19 1.495692770551092e-19 1.7726642496239398e-19 1.92818753548632e-19 2.06724044555118e-19 2.22527914872894e-19 2.3989550958545396e-19 2.56699138122846e-19 2.7121325625025197e-19 2.82902736971916e-19 2.9181404341022397e-19 2.9855760486273e-19 3.03747054980256e-19 3.0782940104368794e-19 3.11136293616264e-19 3.1390645701644995e-19 3.1631292632071796e-19 3.18477466953252e-19 3.20460961626144e-19 3.2223617333661596e-19 3.23718186723066e-19 3.2483330166032996e-19 3.2552383978958395e-19 3.25759359754782e-19 3.25640798683866e-19 3.25235447995464e-19 3.2447441409431398e-19 3.2327598597208193e-19 3.2153922650082595e-19 3.1913916590309397e-19 3.15918790868754e-19 3.1167462496528796e-19 3.0613590034154998e-19 2.98970966434302e-19 2.8977287037850797e-19 2.7799526994197395e-19 2.6284989422077196e-19 2.4305019537779995e-19 2.16585441737388e-19 1.79855542402938e-19 1.247989854228156e-19 -2.21651524254096e-21 ] } }