{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" [ 4.83681 4.512726 4.311871 4.16594 4.051256 3.956769 3.876419 3.806522 3.744668 3.689195 3.63891 3.592924 3.550561 3.51129 3.47469 3.440422 3.408206 3.37781 3.349039 3.321728 3.295737 3.270943 3.247242 3.22454 3.209085 3.19282 3.175654 3.157481 3.138178 3.117592 3.095543 3.071805 3.046099 3.018067 2.987248 2.953025 2.914552 2.870621 2.819424 2.758071 2.681511 2.57963 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.83681e-10 4.512726e-10 4.311871e-10 4.16594e-10 4.0512560000000007e-10 3.956769e-10 3.876419e-10 3.8065220000000005e-10 3.744668e-10 3.689195e-10 3.6389100000000003e-10 3.592924e-10 3.550561e-10 3.51129e-10 3.47469e-10 3.440422e-10 3.408206e-10 3.3778100000000006e-10 3.349039e-10 3.321728e-10 3.295737e-10 3.270943e-10 3.247242e-10 3.2245400000000004e-10 3.209085e-10 3.19282e-10 3.1756540000000005e-10 3.1574810000000004e-10 3.138178e-10 3.117592e-10 3.095543e-10 3.071805e-10 3.046099e-10 3.018067e-10 2.987248e-10 2.9530249999999997e-10 2.914552e-10 2.870621e-10 2.819424e-10 2.758071e-10 2.681511e-10 2.57963e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.02273 1.4099 1.6988 1.93027 2.12247 2.28544 2.42551 2.54693 2.65277 2.74532 2.82635 2.89725 2.95916 3.013 3.05955 3.09948 3.13333 3.16161 3.18472 3.20305 3.21692 3.22658 3.23225 3.2341 3.2332 3.23024 3.22472 3.21604 3.20341 3.18579 3.16181 3.12962 3.08667 3.02937 2.9525 2.84827 2.70449 2.50119 2.20336 1.74356 0.975191 -0.485726 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6385941088908198e-19 2.2589088362766e-19 2.7217776658392e-19 3.09263349131118e-19 3.4005718403659795e-19 3.6616785664089597e-19 3.8860954475333397e-19 4.08063173443362e-19 4.2502061093761792e-19 4.398487556852879e-19 4.5283119295059e-19 4.641906252856499e-19 4.741097008267439e-19 4.827358198242e-19 4.9019395205547e-19 4.965914433550319e-19 5.02014811261122e-19 5.065457667820739e-19 5.10248396983248e-19 5.1318518675337e-19 5.15407405744728e-19 5.169551083731719e-19 5.178635425246499e-19 5.1815994520194e-19 5.1801574930488e-19 5.175415050212159e-19 5.16657103519248e-19 5.152664142009359e-19 5.13242865112194e-19 5.10419829883086e-19 5.06577810314754e-19 5.014204037299079e-19 4.94539055086878e-19 4.85358582974058e-19 4.730426511884999e-19 4.563431641323179e-19 4.3330706848866593e-19 4.0073481751944593e-19 3.53017190829024e-19 2.79349109197704e-19 1.5624282338870938e-19 -7.78218847726284e-20 ] } }