{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.75429 7.234725 6.912719 6.678764 6.494904 6.343425 6.21461 6.102552 6.003388 5.914456 5.83384 5.760117 5.6922 5.629241 5.570566 5.515628 5.463979 5.415249 5.369124 5.32534 5.283672 5.243923 5.205925 5.16953 5.144753 5.118676 5.091156 5.062023 5.031075 4.998073 4.962724 4.924668 4.883456 4.838516 4.789108 4.734242 4.672562 4.602133 4.520054 4.421694 4.298954 4.13562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.754290000000001e-10 7.234725000000001e-10 6.912719e-10 6.678764000000001e-10 6.494904e-10 6.343425e-10 6.214610000000001e-10 6.102552e-10 6.003388e-10 5.914456000000001e-10 5.83384e-10 5.760117000000001e-10 5.6922e-10 5.629241e-10 5.570566000000001e-10 5.515628000000001e-10 5.463979e-10 5.415249e-10 5.369124e-10 5.32534e-10 5.283672e-10 5.243923e-10 5.205925e-10 5.16953e-10 5.144753e-10 5.118676e-10 5.091156e-10 5.062023e-10 5.031075000000001e-10 4.998073e-10 4.962724e-10 4.924668e-10 4.883456e-10 4.838516e-10 4.789108e-10 4.734242e-10 4.672562e-10 4.602133e-10 4.520054e-10 4.4216939999999995e-10 4.298954e-10 4.1356200000000003e-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" [ 0.330739 0.547669 0.724468 0.877604 1.01619 1.14712 1.27899 1.44672 1.92739 2.09057 2.18499 2.2632 2.32897 2.38464 2.43176 2.47148 2.50469 2.53206 2.55418 2.57152 2.58447 2.59338 2.59854 2.6002 2.59941 2.59679 2.59197 2.58445 2.57362 2.55866 2.53852 2.5118 2.47659 2.43027 2.3691 2.28756 2.17726 2.02476 1.80711 1.48096 0.952023 -0.0327846 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.299022933867712e-20 8.774624677369152e-20 1.1607256921177345e-19 1.4060766111205633e-19 1.628115860290752e-19 1.837888845252096e-19 2.0491678762369921e-19 2.317900960843776e-19 3.088019197163712e-19 3.3494623781458563e-19 3.500739894681792e-19 3.62604612819456e-19 3.7314212845445764e-19 3.8206144570245125e-19 3.8961090193966084e-19 3.9597474747747845e-19 4.012955760351552e-19 4.0568073344628483e-19 4.0922474813149446e-19 4.1200292239196163e-19 4.1407774111589765e-19 4.155052804850304e-19 4.163320036213632e-19 4.1659796494041605e-19 4.1647139298737286e-19 4.160516227127232e-19 4.152793735814976e-19 4.14074536762656e-19 4.123393794823296e-19 4.0994252325761286e-19 4.0671573954332166e-19 4.0243472361254403e-19 3.9679345973070718e-19 3.8937217762316167e-19 3.79571663233728e-19 3.665075150677248e-19 3.488355069403008e-19 3.244023134731008e-19 2.8953093932138883e-19 2.3727594883399683e-19 1.5253089930638785e-19 -5.252671964227968e-21 ] } }