{ "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" [ "I" "I" "I" "I" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.804906 3.78562 3.765267 3.743721 3.720833 3.696426 3.670282 3.642137 3.611658 3.578422 3.541881 3.501304 3.455687 3.403599 3.342897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.804906e-10 3.7856200000000005e-10 3.765267e-10 3.743721e-10 3.720833e-10 3.6964260000000003e-10 3.670282e-10 3.642137e-10 3.611658e-10 3.5784220000000006e-10 3.541881e-10 3.5013040000000003e-10 3.4556870000000003e-10 3.4035989999999997e-10 3.342897e-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" [ 2.08091 3.1093 4.01932 4.85212 5.62585 6.3497 7.03199 7.67406 8.27724 8.84414 9.37423 9.86757 10.3245 10.7454 11.129 11.4749 11.7825 12.0521 12.2821 12.4717 12.6201 12.7271 12.793 12.8152 12.804 12.7664 12.6949 12.5794 12.4066 12.1583 11.8093 11.324 10.6512 9.71589 8.39933 6.51439 3.74852 -0.455557 -7.16346 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.333985351988928e-19 4.981647767053441e-19 6.439660535513856e-19 7.773953225316097e-19 9.01360534212768e-19 1.0173340889093762e-18 1.1266489975699394e-18 1.2295199518616448e-18 1.3261600412750593e-18 1.4169874339082113e-18 1.5019172144001985e-18 1.5809589958107458e-18 1.6541672521449602e-18 1.721602866114432e-18 1.78306236128832e-18 1.838481650601792e-18 1.8877646034576e-18 1.930959285154368e-18 1.967809347432768e-18 1.9981866161631363e-18 2.021962917215808e-18 2.039106207058368e-18 2.04966455098944e-18 2.0532213830876163e-18 2.0514269452723202e-18 2.045402761178112e-18 2.033947198339392e-18 2.015442058369152e-18 1.987756446361728e-18 1.947974400867264e-18 1.892058436801344e-18 1.8143048053939203e-18 1.706510362346496e-18 1.5566571808264513e-18 1.3457210156384066e-18 1.0437203356773313e-18 6.005791106601216e-19 -7.298827748417856e-20 -1.1477128136035968e-18 ] } }