{ "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" [ 9.13542 8.523313 8.143954 7.868329 7.651721 7.473261 7.321502 7.189485 7.07266 6.967888 6.872913 6.786058 6.706044 6.631872 6.562746 6.498022 6.437175 6.379765 6.325424 6.273842 6.224752 6.177923 6.133157 6.09028 6.06109 6.030369 5.997947 5.963624 5.927165 5.888285 5.84664 5.801805 5.753253 5.700309 5.642101 5.577463 5.504797 5.421824 5.325126 5.209247 5.064646 4.87222 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.13542e-10 8.523313e-10 8.143954000000001e-10 7.868329000000001e-10 7.651721e-10 7.473261e-10 7.321502e-10 7.189485e-10 7.07266e-10 6.967888000000001e-10 6.872913e-10 6.786058e-10 6.706044000000001e-10 6.631872000000001e-10 6.562746e-10 6.498021999999999e-10 6.437175000000001e-10 6.379765e-10 6.325424e-10 6.273842000000001e-10 6.224752e-10 6.177923e-10 6.133157e-10 6.09028e-10 6.06109e-10 6.030369000000001e-10 5.997947e-10 5.963624e-10 5.927165e-10 5.888285e-10 5.84664e-10 5.801805e-10 5.753253e-10 5.700309e-10 5.642101000000001e-10 5.577463e-10 5.504797000000001e-10 5.421824e-10 5.325126000000001e-10 5.209247e-10 5.064645999999999e-10 4.87222e-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" [ 2.87233 3.46707 3.85512 4.14201 4.35037 4.50677 4.63425 4.74542 4.84466 4.93272 5.00956 5.07534 5.13074 5.17675 5.21458 5.24541 5.2703 5.29018 5.30579 5.31775 5.32652 5.33249 5.33593 5.33706 5.3365 5.33461 5.33094 5.32478 5.31496 5.29986 5.27737 5.24505 5.20036 5.13974 5.05324 4.92101 4.707 4.33769 3.65126 2.45152 0.578127 -2.701 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.601979973222464e-19 5.554858496677056e-19 6.176583134378496e-19 6.636231585119808e-19 6.970061105829697e-19 7.220641529322817e-19 7.4248870049424e-19 7.603000979876736e-19 7.762000987724928e-19 7.903088660952576e-19 8.0261999124948475e-19 8.131591090611072e-19 8.220351675403393e-19 8.2940678217264005e-19 8.354678163291264e-19 8.404073268510528e-19 8.44395144460224e-19 8.475802715823745e-19 8.500812692874433e-19 8.519974725259201e-19 8.534025814223617e-19 8.543590808649792e-19 8.549102296225345e-19 8.550912755806848e-19 8.5500155368992e-19 8.546987423085887e-19 8.541107434887553e-19 8.531238026903424e-19 8.515504652487169e-19 8.491311785513088e-19 8.455278833311297e-19 8.403496484927041e-19 8.331895211743488e-19 8.234771264990592e-19 8.096182987291392e-19 7.884327172723008e-19 7.5414453541056e-19 6.949745506277953e-19 5.849963408462209e-19 3.927768029423616e-19 9.262615632532416e-20 -4.3274790527808e-19 ] } }