{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 7.92561 7.394565 7.065444 6.826321 6.638398 6.483572 6.351911 6.237377 6.136023 6.045125 5.962728 5.887376 5.817958 5.753609 5.693637 5.637485 5.584695 5.534888 5.487744 5.442993 5.400404 5.359777 5.320939 5.28374 5.258416 5.231763 5.203635 5.173858 5.142227 5.108496 5.072366 5.033469 4.991346 4.945414 4.894914 4.838836 4.775794 4.703809 4.619917 4.519384 4.393932 4.22699 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.92561e-10 7.394565000000001e-10 7.065444000000001e-10 6.826321e-10 6.638398e-10 6.483572e-10 6.351911000000001e-10 6.237377e-10 6.136023e-10 6.045125e-10 5.962728e-10 5.887376e-10 5.817958e-10 5.753609e-10 5.693637e-10 5.637485e-10 5.584695e-10 5.534887999999999e-10 5.487744e-10 5.442993000000001e-10 5.400404000000001e-10 5.359777e-10 5.320939000000001e-10 5.28374e-10 5.258416000000001e-10 5.231763e-10 5.203635e-10 5.173858e-10 5.142227e-10 5.108496e-10 5.072365999999999e-10 5.033469000000001e-10 4.991346e-10 4.945414000000001e-10 4.894914000000001e-10 4.838836e-10 4.775794e-10 4.703809e-10 4.619917e-10 4.519384e-10 4.3939320000000006e-10 4.22699e-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 2.79631e-05 0.0147528 0.0858907 0.199771 0.329027 0.457794 0.578757 0.689033 0.787866 0.875475 0.952504 1.01975 1.07804 1.12815 1.17082 1.2067 1.23638 1.2604 1.27922 1.29326 1.30289 1.30846 1.31025 1.30939 1.3066 1.30146 1.29348 1.28201 1.26625 1.24513 1.21726 1.18076 1.13303 1.07042 0.987613 0.876535 0.724389 0.509563 0.192575 -0.303234 -1.20942 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 4.480182506509248e-24 2.363659125133824e-21 1.3761207148414657e-20 3.200684257138368e-20 5.271593670119617e-20 7.334668439425152e-20 9.272709345243456e-20 1.1039525635596865e-19 1.2623004855232127e-19 1.4026655770948802e-19 1.5260796400184833e-19 1.6338196090608e-19 1.7272104842872324e-19 1.80749555475552e-19 1.875860431165056e-19 1.9333465283193604e-19 1.9808991304247043e-19 2.0193834128563202e-19 2.0495363768597762e-19 2.0720309366158082e-19 2.0874598974741122e-19 2.096384021251968e-19 2.0992519174032e-19 2.097874045509312e-19 2.09340397273728e-19 2.0851687849063683e-19 2.072383415472384e-19 2.0540064496318082e-19 2.0287561460880002e-19 1.9949181758567041e-19 1.950265513435008e-19 1.8917860667758081e-19 1.815314176665024e-19 1.715001898436736e-19 1.5823304589981505e-19 1.404363884312928e-19 1.1605991201646912e-19 8.164099254247104e-20 3.0853916275056e-20 -4.8583442543166723e-20 -1.937704448727936e-19 ] } }