{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14332 7.597687 7.259526 7.013834 6.82075 6.66167 6.526392 6.408712 6.304574 6.21118 6.126519 6.049097 5.977773 5.911655 5.850036 5.792342 5.738102 5.686927 5.638488 5.592508 5.548748 5.507005 5.467101 5.42888 5.40286 5.375475 5.346574 5.315979 5.283479 5.248822 5.211699 5.171733 5.128454 5.08126 5.029372 4.971754 4.90698 4.833017 4.746821 4.643526 4.514628 4.3431 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.143319999999999e-10 7.597687e-10 7.259526000000001e-10 7.013834000000001e-10 6.82075e-10 6.661670000000001e-10 6.526392000000001e-10 6.408712000000001e-10 6.304574e-10 6.21118e-10 6.126519e-10 6.049097e-10 5.977773e-10 5.911654999999999e-10 5.850036000000001e-10 5.792342e-10 5.738102e-10 5.686927e-10 5.638488e-10 5.592508e-10 5.548748e-10 5.507005e-10 5.467101000000001e-10 5.428880000000001e-10 5.402860000000001e-10 5.375475e-10 5.346574000000001e-10 5.315979e-10 5.283479e-10 5.248822e-10 5.211699e-10 5.171733e-10 5.128454e-10 5.08126e-10 5.029372000000001e-10 4.971754e-10 4.906980000000001e-10 4.833017e-10 4.746821e-10 4.6435259999999995e-10 4.514628e-10 4.3430999999999997e-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 0 0 0 0.00492814 0.646109 1.78623 2.82564 3.53844 3.89937 4.02664 4.13059 4.22163 4.30103 4.36984 4.42898 4.47921 4.5212 4.55553 4.58271 4.60321 4.61743 4.62572 4.62841 4.62711 4.62284 4.61492 4.60252 4.58457 4.55967 4.52598 4.48105 4.42155 4.34281 4.23816 4.09774 3.9064 3.63975 3.25592 2.67701 1.74026 0.0408808 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 7.895750757080759e-22 1.035180742817106e-19 2.86185596894982e-19 4.527174384095759e-19 5.669205888810959e-19 6.247479501320579e-19 6.45138852152976e-19 6.61793478263406e-19 6.76379694339342e-19 6.89100976813302e-19 7.001255542318559e-19 7.09600826845332e-19 7.176485600779139e-19 7.2437609976408e-19 7.298763721486019e-19 7.342310882398139e-19 7.375155503395139e-19 7.397938455130619e-19 7.41122049942648e-19 7.415530354571939e-19 7.413447524947739e-19 7.406606230720559e-19 7.393916991779279e-19 7.37405000151768e-19 7.345290930937379e-19 7.305396732750779e-19 7.251419401951319e-19 7.179433605785699e-19 7.0841040960627e-19 6.957948707901539e-19 6.790280923153439e-19 6.56530328020716e-19 6.258742803057599e-19 5.831522403601499e-19 5.216558946173279e-19 4.2890428709843397e-19 2.78820390908484e-19 6.5498262539227196e-21 ] } }