{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.286 4.931818 4.712311 4.552827 4.427492 4.32423 4.236418 4.16003 4.092431 4.031807 3.976852 3.926596 3.880298 3.83738 3.797381 3.759931 3.724723 3.691504 3.660061 3.630214 3.601809 3.574713 3.54881 3.524 3.50711 3.489334 3.470574 3.450714 3.429618 3.407121 3.383024 3.357081 3.328988 3.298353 3.264672 3.227271 3.185225 3.137214 3.081263 3.014212 2.930542 2.8192 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.286e-10 4.931818e-10 4.712311e-10 4.552827e-10 4.427492e-10 4.32423e-10 4.2364179999999995e-10 4.16003e-10 4.0924310000000003e-10 4.0318069999999996e-10 3.976852e-10 3.926596e-10 3.880298e-10 3.83738e-10 3.7973810000000004e-10 3.759931e-10 3.724723e-10 3.6915040000000004e-10 3.660061e-10 3.6302140000000004e-10 3.601809e-10 3.574713e-10 3.5488100000000003e-10 3.524e-10 3.5071100000000003e-10 3.489334e-10 3.4705740000000004e-10 3.450714e-10 3.4296180000000003e-10 3.407121e-10 3.383024e-10 3.357081e-10 3.328988e-10 3.298353e-10 3.264672e-10 3.227271e-10 3.185225e-10 3.137214e-10 3.081263e-10 3.014212e-10 2.9305420000000003e-10 2.8192e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.60597 2.07791 2.42734 2.70959 2.94707 3.15154 3.33002 3.48718 3.62627 3.74968 3.85926 3.95644 4.04239 4.11806 4.18425 4.24162 4.29078 4.3322 4.36634 4.39359 4.41428 4.42873 4.43722 4.44 4.43865 4.43419 4.4259 4.41285 4.39384 4.36731 4.33118 4.28265 4.21788 4.13142 4.01541 3.85809 3.64116 3.33464 2.88631 2.197 1.05619 -1.03643 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5730476089049795e-19 3.32917884955494e-19 3.88902743077356e-19 4.341241785720059e-19 4.72172669276238e-19 5.049323749116359e-19 5.33528023475268e-19 5.58707831455212e-19 5.809925062575179e-19 6.00764968097712e-19 6.18321619653084e-19 6.33891572182296e-19 6.4766228035152595e-19 6.597859509410039e-19 6.703907580814499e-19 6.79582445430708e-19 6.874587457634519e-19 6.9409496138148e-19 6.995647924099559e-19 7.039307237376059e-19 7.072456271933519e-19 7.095607724294819e-19 7.109210203917479e-19 7.11366425496e-19 7.111501316504099e-19 7.104355608716459e-19 7.0910735644206e-19 7.070165159346899e-19 7.03970778153456e-19 6.997202035434539e-19 6.939315393648119e-19 6.8615617616001e-19 6.757788781015919e-19 6.61926458924028e-19 6.43339607792994e-19 6.181341649869059e-19 5.83378147265544e-19 5.342682290801759e-19 4.624378440480539e-19 3.519982064898e-19 1.69220293906446e-19 -1.6605439287766198e-19 ] } }