{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.152391 6.121207 6.088297 6.053457 6.016449 5.976984 5.934711 5.889202 5.839918 5.786178 5.727092 5.661481 5.587722 5.503499 5.405345 5.287722 5.140943 4.94562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.152391e-10 6.121207000000001e-10 6.088297e-10 6.053457000000001e-10 6.016449e-10 5.976984e-10 5.934711000000001e-10 5.889202e-10 5.839918e-10 5.786177999999999e-10 5.727092e-10 5.661481000000001e-10 5.587722e-10 5.503499e-10 5.405345e-10 5.287722e-10 5.140943000000001e-10 4.94562e-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" [ 0.950897 1.42534 1.84232 2.22449 2.58171 2.91634 3.23201 3.52875 3.80748 4.06877 4.3132 4.54124 4.75228 4.94622 5.12364 5.28426 5.42716 5.55204 5.65858 5.74644 5.81524 5.8646 5.89499 5.90526 5.90009 5.8827 5.8496 5.79617 5.71652 5.6021 5.44114 5.21718 4.90642 4.4735 3.86414 2.99223 1.71256 -0.231416 -3.3341 -8.65086 -18.784 -41.8607 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5235049421888577e-19 2.283646424691072e-19 2.951722032032256e-19 3.564025871203392e-19 4.1363554036855683e-19 4.672491766303872e-19 5.178250860191808e-19 5.653680750648001e-19 6.100255440163584e-19 6.518888169412416e-19 6.910508200834561e-19 7.275868557441793e-19 7.6139919114954245e-19 7.924718045333377e-19 8.208976221395712e-19 8.466317830228608e-19 8.695268869340927e-19 8.895348685746433e-19 9.066044582926464e-19 9.206811820829953e-19 9.317041572340993e-19 9.396125010343681e-19 9.444815157849793e-19 9.46126951174541e-19 9.452986258615873e-19 9.425124407180161e-19 9.37209236103168e-19 9.286488064182337e-19 9.158874696335617e-19 8.97555364738368e-19 8.717667298499712e-19 8.358843822505344e-19 7.860951415825536e-19 7.1673371131488e-19 6.191034767498112e-19 4.794080950056384e-19 2.7438235937172484e-19 -3.7076930487905284e-20 -5.34181707140928e-19 -1.3860205641813889e-18 -3.00952856451072e-18 -6.7068234870322566e-18 ] } }