{ "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" [ 5.29902297752526e-20 8.774624749661459e-20 1.1607257016807119e-19 1.406076622704936e-19 1.6281158737044597e-19 1.8378888603940798e-19 2.04916789311966e-19 2.31790097994048e-19 3.0880192226052596e-19 3.34946240574138e-19 3.5007399235236595e-19 3.6260461580687998e-19 3.73142131528698e-19 3.82061448850176e-19 3.89610905149584e-19 3.95974750739832e-19 4.01295579341346e-19 4.05680736788604e-19 4.09224751503012e-19 4.12002925786368e-19 4.14077744527398e-19 4.1550528390829196e-19 4.1633200705143593e-19 4.1659796837268e-19 4.16471396418594e-19 4.1605162614048595e-19 4.1527937700289798e-19 4.1407454017412996e-19 4.1233938287950798e-19 4.09942526635044e-19 4.0671574289416797e-19 4.0243472692811997e-19 3.9679346299980594e-19 3.89372180831118e-19 3.7957166636093996e-19 3.66507518087304e-19 3.48835509814284e-19 3.24402316145784e-19 2.8953094170677396e-19 2.3727595078886397e-19 1.5253090056305817e-19 -5.252672007503639e-21 ] } }