{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.31608 5.892879 5.630596 5.440034 5.290275 5.16689 5.061967 4.970693 4.889921 4.817484 4.751819 4.69177 4.636449 4.585168 4.537375 4.492626 4.450557 4.410865 4.373295 4.337632 4.303692 4.271315 4.240365 4.21072 4.180751 4.149867 4.118011 4.085121 4.051126 4.01595 3.979508 3.941705 3.902436 3.861581 3.819009 3.774568 3.728086 3.679367 3.628184 3.574276 3.517336 3.457001 3.392841 3.324339 3.250864 3.171637 3.085679 2.991741 2.888187 2.772823 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.31608e-10 5.892879e-10 5.630596e-10 5.440034e-10 5.290275e-10 5.166890000000001e-10 5.061967000000001e-10 4.970693e-10 4.889921e-10 4.817484e-10 4.751819e-10 4.69177e-10 4.6364489999999997e-10 4.5851680000000005e-10 4.537375e-10 4.4926259999999996e-10 4.450557e-10 4.4108650000000005e-10 4.3732949999999997e-10 4.3376320000000005e-10 4.303692e-10 4.2713150000000007e-10 4.240365e-10 4.2107200000000004e-10 4.180751e-10 4.1498670000000007e-10 4.118011e-10 4.085121e-10 4.051126e-10 4.0159500000000005e-10 3.979508e-10 3.941705e-10 3.902436e-10 3.8615810000000005e-10 3.819009e-10 3.774568e-10 3.728086e-10 3.679367e-10 3.628184e-10 3.574276e-10 3.517336e-10 3.457001e-10 3.3928410000000006e-10 3.324339e-10 3.250864e-10 3.171637e-10 3.085679e-10 2.9917410000000003e-10 2.888187e-10 2.772823e-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" [ 2.76504 2.98283 3.08223 3.13946 3.17956 3.21342 3.24663 3.28182 3.31942 3.35848 3.39753 3.43508 3.46998 3.50146 3.52915 3.55297 3.57302 3.58955 3.60284 3.6132 3.6209 3.62618 3.62924 3.63023 3.62917 3.62572 3.61943 3.60974 3.59598 3.57731 3.55275 3.52111 3.4809 3.43029 3.36686 3.28732 3.18719 3.06022 2.89777 2.68797 2.41456 2.05543 1.58081 0.950458 0.107898 -1.03318 -2.61856 -4.90633 -8.35239 -13.7862 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.43008248007536e-19 4.779020529194219e-19 4.93827688661382e-19 5.029969455377639e-19 5.09421673840104e-19 5.14846643922828e-19 5.20167472524342e-19 5.25805532099388e-19 5.31829716243228e-19 5.38087818175632e-19 5.44344317931402e-19 5.50360491192072e-19 5.55952087644732e-19 5.609957396885639e-19 5.6543216678811e-19 5.6924855153029795e-19 5.72460915681468e-19 5.751093136574699e-19 5.772386064040559e-19 5.7889846139688e-19 5.801321374050599e-19 5.80978086667812e-19 5.81468352717816e-19 5.81626968204582e-19 5.814571374813779e-19 5.809043865426479e-19 5.79896617439862e-19 5.78344108281516e-19 5.76139513233132e-19 5.73148249457454e-19 5.6921330364435e-19 5.64144016774374e-19 5.5770166452906e-19 5.495930485843859e-19 5.394304421949239e-19 5.26686729248088e-19 5.10644134611846e-19 4.90301297889948e-19 4.64273938470618e-19 4.3066027268929796e-19 3.8685516133910393e-19 3.2931619188226195e-19 2.5327368447935397e-19 1.522801599198372e-19 1.7287165445533197e-20 -1.6553368547161198e-19 -4.1953956467270398e-19 -7.860807284693219e-19 -1.338200409605526e-18 -2.2087927511650796e-18 ] } }