{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.77067 9.115999 8.71026 8.415469 8.183799 7.992929 7.830618 7.689421 7.564472 7.452414 7.350835 7.257941 7.172363 7.093033 7.019099 6.949876 6.884797 6.823395 6.765276 6.710107 6.657603 6.607518 6.559639 6.51378 6.48256 6.449703 6.415026 6.378317 6.339323 6.297739 6.253198 6.205246 6.153317 6.096692 6.034436 5.965303 5.887585 5.798841 5.69542 5.571483 5.416826 5.21102 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.77067e-10 9.115999000000001e-10 8.71026e-10 8.415469e-10 8.183799000000001e-10 7.992929e-10 7.830618e-10 7.689421000000001e-10 7.564472e-10 7.452414e-10 7.350835e-10 7.257941e-10 7.172363000000001e-10 7.093033e-10 7.019099e-10 6.949876e-10 6.884797e-10 6.823395e-10 6.765276e-10 6.710107e-10 6.657603e-10 6.607518e-10 6.559639e-10 6.51378e-10 6.482560000000001e-10 6.449703000000001e-10 6.415026e-10 6.378317e-10 6.339323e-10 6.297739e-10 6.253198e-10 6.205246e-10 6.153317e-10 6.096692e-10 6.034436e-10 5.965303e-10 5.887585e-10 5.798841e-10 5.695420000000001e-10 5.571483e-10 5.416826e-10 5.211020000000001e-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" [ 0.984772 1.43846 1.76318 2.01522 2.21916 2.38836 2.53105 2.65268 2.75712 2.84718 2.92504 2.99236 3.05048 3.10051 3.14332 3.17968 3.21021 3.23546 3.2559 3.27193 3.2839 3.29212 3.29688 3.29842 3.29768 3.29528 3.29086 3.28399 3.27411 3.26049 3.24223 3.21808 3.18639 3.14489 3.09036 3.01811 2.92105 2.78799 2.60009 2.32311 1.88755 1.12675 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.577778688217448e-19 2.30466700094364e-19 2.82492579753612e-19 3.2287383963694794e-19 3.55548629910744e-19 3.82657458558024e-19 4.0551891694856997e-19 4.25006191347912e-19 4.417393241134079e-19 4.561685268792119e-19 4.68643074151536e-19 4.79428927251624e-19 4.88740777848432e-19 4.96756467548334e-19 5.03615385718488e-19 5.094408999597119e-19 5.14332345223314e-19 5.183778412241639e-19 5.2165269026406e-19 5.242209794083619e-19 5.261387848392599e-19 5.27455774032408e-19 5.28218410110192e-19 5.28465145311828e-19 5.28346584240912e-19 5.279620618487519e-19 5.272538997765239e-19 5.26153204428966e-19 5.245702539145739e-19 5.223880893390659e-19 5.19462514805382e-19 5.15593258234272e-19 5.10515960481126e-19 5.03866927450026e-19 4.95130258264824e-19 4.83554532084174e-19 4.6800380567457e-19 4.46685243382566e-19 4.1658034442970596e-19 3.722032560211739e-19 3.0241885055067e-19 1.8052525223594997e-19 ] } }