{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.63509 8.056508 7.697926 7.437397 7.232652 7.063966 6.920519 6.795733 6.685306 6.586272 6.496498 6.414401 6.338769 6.268659 6.203319 6.142141 6.084626 6.03036 5.978996 5.930239 5.883837 5.839573 5.797259 5.75673 5.715757 5.673534 5.629983 5.585017 5.53854 5.490449 5.440627 5.388944 5.335256 5.279402 5.221199 5.160441 5.096893 5.030286 4.960312 4.886611 4.808764 4.726277 4.63856 4.544907 4.444455 4.336139 4.218621 4.090193 3.948618 3.790897 3.612865 3.408507 3.168665 2.87837 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.63509e-10 8.056508e-10 7.697926e-10 7.437397e-10 7.232652e-10 7.063966e-10 6.920519e-10 6.795733000000001e-10 6.685306e-10 6.586272000000001e-10 6.496498e-10 6.414401e-10 6.338769e-10 6.268659000000001e-10 6.203319e-10 6.142141e-10 6.084626e-10 6.03036e-10 5.978996e-10 5.930239000000001e-10 5.883837e-10 5.839573e-10 5.797259000000001e-10 5.756730000000001e-10 5.715757e-10 5.673534000000001e-10 5.629983e-10 5.585017e-10 5.53854e-10 5.490449e-10 5.440627e-10 5.388944e-10 5.335256000000001e-10 5.279402e-10 5.221199e-10 5.160441e-10 5.096893e-10 5.030286e-10 4.960312000000001e-10 4.886611000000001e-10 4.808764e-10 4.726276999999999e-10 4.63856e-10 4.5449070000000007e-10 4.4444549999999996e-10 4.336139e-10 4.218621e-10 4.0901930000000004e-10 3.948618e-10 3.7908970000000004e-10 3.612865e-10 3.4085070000000003e-10 3.168665e-10 2.87837e-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" [ 1.20946 1.24977 1.26265 1.26803 1.26744 1.27569 1.30127 1.33044 1.3572 1.37935 1.39657 1.40993 1.42042 1.42865 1.43505 1.43994 1.44569 1.45268 1.45996 1.46678 1.4726 1.477 1.47973 1.48066 1.47963 1.47625 1.47011 1.46078 1.44785 1.43207 1.41419 1.39429 1.37252 1.34908 1.32412 1.29754 1.26915 1.23678 1.198 1.15183 1.09757 1.03508 0.962241 0.859704 0.724131 0.559061 0.375496 0.148645 -0.299366 -1.13613 -2.58929 -5.12075 -10.829 -23.8978 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.93776855175764e-19 2.0023522918741798e-19 2.0229883269200998e-19 2.0316080372110197e-19 2.0306627529969598e-19 2.04388071022746e-19 2.0848643885251797e-19 2.13159988093896e-19 2.1744741276648e-19 2.2099623401079e-19 2.23755182174538e-19 2.2589569015756196e-19 2.27576373446628e-19 2.2889496481641e-19 2.2992035786216997e-19 2.30703822236196e-19 2.31625073800746e-19 2.32744995267912e-19 2.33911379857464e-19 2.3500406432185196e-19 2.3593653112283996e-19 2.366414888418e-19 2.3707888306288196e-19 2.37227885489844e-19 2.37062861296542e-19 2.3652132559424997e-19 2.35537589140974e-19 2.34042758341452e-19 2.3197114395369e-19 2.2944290922523797e-19 2.26578217403646e-19 2.23389885901986e-19 2.1990194736976797e-19 2.16146445339672e-19 2.1214741246120797e-19 2.0788882696803597e-19 2.0334024750411e-19 1.98154001739852e-19 1.919407607532e-19 1.8454351123402198e-19 1.7585010081793799e-19 1.6583809903207198e-19 1.5416800464767938e-19 1.377397660956336e-19 1.160185768155054e-19 8.95714471180674e-20 6.016109173604639e-20 2.3815554576092997e-20 -4.79637210214044e-20 -1.82028093918642e-19 -4.14849993664986e-19 -8.2043459985555e-19 -1.7349970769586e-18 -3.82884967640052e-18 ] } }