{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.87223 6.411766 6.126389 5.919047 5.756101 5.621853 5.50769 5.408379 5.320496 5.24168 5.170234 5.104897 5.044706 4.988908 4.936907 4.888219 4.842445 4.799258 4.75838 4.719577 4.682648 4.647421 4.613745 4.58149 4.559532 4.536421 4.512031 4.486212 4.458785 4.429537 4.398209 4.364482 4.327957 4.28813 4.244342 4.195717 4.141054 4.078636 4.005894 3.918723 3.809944 3.66519 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.872230000000001e-10 6.411766e-10 6.126389e-10 5.919047e-10 5.756101000000001e-10 5.621853e-10 5.50769e-10 5.408379e-10 5.320496e-10 5.241679999999999e-10 5.170234e-10 5.104897000000001e-10 5.044706e-10 4.988908000000001e-10 4.936907e-10 4.888219000000001e-10 4.842445e-10 4.799258e-10 4.75838e-10 4.719577e-10 4.682648000000001e-10 4.647421e-10 4.613745e-10 4.5814899999999996e-10 4.559532e-10 4.536421e-10 4.5120310000000006e-10 4.486212e-10 4.458785e-10 4.429537e-10 4.3982089999999996e-10 4.3644819999999997e-10 4.3279569999999997e-10 4.28813e-10 4.244342e-10 4.195717e-10 4.1410539999999996e-10 4.0786360000000004e-10 4.0058939999999997e-10 3.918723e-10 3.8099440000000005e-10 3.66519e-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" [ 4.88205 5.14597 5.15981 5.12543 5.14132 5.18537 5.22479 5.25217 5.27103 5.28435 5.29577 5.3087 5.32504 5.34609 5.37042 5.39547 5.41985 5.44291 5.46433 5.48374 5.5005 5.51372 5.52237 5.52546 5.52381 5.51808 5.50682 5.48794 5.45791 5.41078 5.33708 5.2215 5.0396 4.75377 4.31327 3.631 2.52096 0.782581 -1.50725 -4.95936 -11.5085 -22.2164 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.82190637157664e-19 8.244752825338177e-19 8.266926949770049e-19 8.211844117546944e-19 8.237302704051457e-19 8.307878584197696e-19 8.371036386589632e-19 8.414903982467136e-19 8.445121033535424e-19 8.46646202612448e-19 8.484758883134016e-19 8.505475026840961e-19 8.531654592824833e-19 8.565380410692672e-19 8.604361367876737e-19 8.644495892227777e-19 8.68355695824288e-19 8.720503151118528e-19 8.754821774336066e-19 8.785920022545792e-19 8.8127725027104e-19 8.833953277637378e-19 8.847812105407296e-19 8.852762831165569e-19 8.850119239741248e-19 8.840938767704066e-19 8.822898258953857e-19 8.792649164353152e-19 8.744535800430529e-19 8.669025216292224e-19 8.5509447993392645e-19 8.3657652255072e-19 8.074329298183681e-19 7.616379154660417e-19 6.910620353198017e-19 5.8175033101248e-19 4.0390231739719684e-19 1.2538329820822849e-19 -2.4148807117008e-19 -7.945770646130689e-19 -1.84386496404768e-18 -3.559459667834112e-18 ] } }