{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.56578 4.259855 4.070255 3.932501 3.824242 3.73505 3.659202 3.593222 3.534833 3.482469 3.435002 3.391593 3.351603 3.314532 3.279984 3.247635 3.217224 3.188531 3.161373 3.135593 3.111058 3.087653 3.06528 3.04385 3.029261 3.013907 2.997703 2.980549 2.962327 2.942896 2.922082 2.899674 2.875408 2.848948 2.819856 2.787551 2.751234 2.709765 2.661436 2.603522 2.531252 2.43508 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.56578e-10 4.259855e-10 4.0702550000000005e-10 3.932501e-10 3.824242e-10 3.7350500000000005e-10 3.6592020000000003e-10 3.593222e-10 3.534833e-10 3.482469e-10 3.435002e-10 3.391593e-10 3.351603e-10 3.314532e-10 3.279984e-10 3.247635e-10 3.217224e-10 3.188531e-10 3.161373e-10 3.1355930000000004e-10 3.111058e-10 3.087653e-10 3.06528e-10 3.0438500000000003e-10 3.029261e-10 3.0139070000000005e-10 2.9977030000000003e-10 2.980549e-10 2.962327e-10 2.9428960000000005e-10 2.922082e-10 2.8996740000000003e-10 2.875408e-10 2.848948e-10 2.819856e-10 2.787551e-10 2.7512340000000003e-10 2.709765e-10 2.6614360000000003e-10 2.603522e-10 2.531252e-10 2.43508e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.874588 1.26872 1.57702 1.84065 2.07221 2.27858 2.46401 2.63138 2.78278 2.91975 3.04351 3.15503 3.25512 3.34444 3.42355 3.49295 3.55306 3.60424 3.64684 3.68116 3.70745 3.72597 3.73693 3.74054 3.73877 3.7329 3.72191 3.70452 3.67903 3.64321 3.59409 3.52761 3.43813 3.31762 3.15432 2.93045 2.61795 2.17026 1.50486 0.462224 -1.30639 -4.71907 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4012444464322305e-19 2.0327135223413763e-19 2.5266645745340164e-19 2.94904639707552e-19 3.320046415387968e-19 3.650687604622464e-19 3.947779215417408e-19 4.2159355164407043e-19 4.458505056829824e-19 4.6779551885808e-19 4.876240567171008e-19 5.054915303922624e-19 5.215277161898496e-19 5.358383577668352e-19 5.48513177013984e-19 5.59632282762336e-19 5.692629664299648e-19 5.774629063752192e-19 5.842881787798272e-19 5.897868489424129e-19 5.939989712784961e-19 5.969662023802176e-19 5.987221879566145e-19 5.993005737167232e-19 5.990169884548417e-19 5.98076510778432e-19 5.963157186721728e-19 5.9352953352860165e-19 5.894455853221824e-19 5.837065886664768e-19 5.758366971051073e-19 5.651854269300288e-19 5.508491505271105e-19 5.315413200698496e-19 5.053777758521856e-19 4.695098478423361e-19 4.1944182844233603e-19 3.477139833057408e-19 2.4110515095770884e-19 7.405644863726593e-20 -2.093067515646912e-19 -7.560783625918657e-19 ] } }