{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 8.995 8.392302 8.018775 7.747387 7.534109 7.358392 7.208966 7.078978 6.963949 6.860787 6.767272 6.681753 6.602969 6.529937 6.461873 6.398145 6.338232 6.281705 6.2282 6.177411 6.129075 6.082966 6.038888 5.99667 5.967929 5.93768 5.905757 5.871962 5.836063 5.797781 5.756776 5.712631 5.664825 5.612696 5.555382 5.491738 5.42019 5.338492 5.243282 5.129185 4.986807 4.79734 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.994999999999999e-10 8.392302000000001e-10 8.018775000000001e-10 7.747387000000001e-10 7.534109000000001e-10 7.358392000000001e-10 7.208966e-10 7.078978e-10 6.963949e-10 6.860787000000001e-10 6.767272e-10 6.681753e-10 6.602969e-10 6.529937000000001e-10 6.461873e-10 6.398145000000001e-10 6.338232e-10 6.281705e-10 6.2282e-10 6.177411e-10 6.129075e-10 6.082966e-10 6.038888e-10 5.99667e-10 5.967929e-10 5.937680000000001e-10 5.905757e-10 5.871962e-10 5.836063000000001e-10 5.797781e-10 5.756776000000001e-10 5.712631e-10 5.664825000000001e-10 5.612695999999999e-10 5.555382e-10 5.491738e-10 5.42019e-10 5.338492e-10 5.243282e-10 5.129185e-10 4.986807e-10 4.79734e-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" [ 0.781598 0.987474 1.14417 1.27602 1.39088 1.49256 1.58333 1.66474 1.73788 1.80363 1.86265 1.91549 1.96261 2.0044 2.04119 2.07327 2.10089 2.12428 2.14364 2.15915 2.17098 2.17926 2.18414 2.18575 2.18496 2.18238 2.17757 2.16999 2.15891 2.14342 2.12229 2.09383 2.05575 2.00481 1.93626 1.84306 1.71414 1.5314 1.26318 0.849199 0.160195 -1.13605 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2522580527811318e-19 1.5821077694825158e-19 1.8331624393237796e-19 2.0444094285166798e-19 2.2284354366979197e-19 2.39134475684304e-19 2.5367743299112195e-19 2.66720752968516e-19 2.78439072869592e-19 2.8897338423814197e-19 2.9842943073200996e-19 3.0689533206606595e-19 3.14444788365474e-19 3.2114028451895995e-19 3.2703469235544594e-19 3.3217447499731797e-19 3.36599686860426e-19 3.40347178007352e-19 3.4344899197077596e-19 3.4593396793010996e-19 3.47829342888132e-19 3.49155945141084e-19 3.49937807338476e-19 3.5019575777655e-19 3.500691858224639e-19 3.4965582425089203e-19 3.4888517728993796e-19 3.4767072740136593e-19 3.45895515690894e-19 3.4341374408482797e-19 3.4002834485718597e-19 3.3546855015682198e-19 3.2936746153455e-19 3.2120597376095396e-19 3.10223052934884e-19 2.9529076670600395e-19 2.74635505540476e-19 2.4535732973076e-19 2.0238374805361198e-19 1.360566795416166e-19 2.5666068588363e-20 -1.8201527650557e-19 ] } }