{ "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" [ 8.89593 8.29987 7.930456 7.662056 7.451127 7.277345 7.129565 7.001009 6.887246 6.785221 6.692735 6.608158 6.530242 6.458014 6.3907 6.327673 6.268421 6.212516 6.1596 6.10937 6.061566 6.015966 5.972373 5.93062 5.888409 5.844911 5.800044 5.753719 5.705839 5.656295 5.604968 5.551724 5.496415 5.438873 5.378912 5.316318 5.25085 5.182232 5.110143 5.034216 4.954018 4.869038 4.778673 4.68219 4.578704 4.467115 4.346047 4.21374 4.067889 3.905403 3.721993 3.511462 3.264374 2.96531 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.895930000000001e-10 8.29987e-10 7.930456000000001e-10 7.662056e-10 7.451127e-10 7.277345e-10 7.129565000000001e-10 7.001009e-10 6.887246e-10 6.785221e-10 6.692735e-10 6.608158000000001e-10 6.530242000000001e-10 6.458014e-10 6.3907e-10 6.327673e-10 6.268421e-10 6.212516e-10 6.1596e-10 6.10937e-10 6.061566000000001e-10 6.015966e-10 5.972373000000001e-10 5.93062e-10 5.888409000000001e-10 5.844911e-10 5.800044e-10 5.753719e-10 5.705839e-10 5.656295e-10 5.604968000000001e-10 5.551724e-10 5.496415e-10 5.438873e-10 5.378912e-10 5.316318e-10 5.25085e-10 5.182232e-10 5.110143e-10 5.034216e-10 4.954018e-10 4.869038e-10 4.778673000000001e-10 4.682190000000001e-10 4.578704e-10 4.467115e-10 4.346047000000001e-10 4.21374e-10 4.067889e-10 3.905403e-10 3.721993e-10 3.511462e-10 3.264374e-10 2.96531e-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" [ 0.826397 1.19292 1.4936 1.78457 2.07696 2.36337 2.63446 2.88408 3.10945 3.31009 3.48692 3.6415 3.77564 3.92451 4.04309 4.12851 4.19991 4.25873 4.30614 4.34317 4.3707 4.38954 4.40039 4.40388 4.4002 4.38844 4.36741 4.33573 4.29179 4.23367 4.15914 4.06552 3.9579 3.81671 3.64304 3.43319 3.18024 2.87565 2.5087 2.06588 1.52991 0.878414 0.0820778 -0.898238 -2.11557 -3.64346 -5.58618 -8.09571 -11.4011 -15.8613 -22.0665 -31.0487 -44.7603 -67.3137 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.324033963807698e-19 1.9112685502312798e-19 2.3930110205424e-19 2.85919635573738e-19 3.32765678175264e-19 3.78653619149658e-19 4.2208702552076395e-19 4.620805586586719e-19 4.981888134591299e-19 5.30334885443706e-19 5.586661748627279e-19 5.834326212711e-19 6.04924218639576e-19 6.28775822189934e-19 6.47774432715906e-19 6.614602255235341e-19 6.72899766690294e-19 6.823237696514819e-19 6.89919689073276e-19 6.95852549148978e-19 7.0026334142238e-19 7.03281842200836e-19 7.050202038487259e-19 7.055793634939919e-19 7.0498976249268e-19 7.03105602771096e-19 6.997362253097939e-19 6.946605297332819e-19 6.87620565603486e-19 6.783087150066779e-19 6.663676925534759e-19 6.51368114905968e-19 6.3412548997086e-19 6.11504358075414e-19 5.83679356472736e-19 5.50057679808246e-19 5.09530621851216e-19 4.607299237562099e-19 4.0193805217158e-19 3.3099046646479196e-19 2.45118605412294e-19 1.407374385778476e-19 1.3150313333012521e-20 -1.4391359353708919e-19 -3.38951682159138e-19 -5.83746647891364e-19 -8.950047069318119e-19 -1.297075739764014e-18 -1.8266576021897396e-18 -2.5412604244864198e-18 -3.5354430694161e-18 -4.97455016560758e-18 -7.171390679083019e-18 -1.078484372880858e-17 ] } }