{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.32419 7.766439 7.420766 7.169617 6.972244 6.809631 6.671349 6.551055 6.444604 6.349136 6.262594 6.183453 6.110544 6.042958 5.97997 5.920995 5.86555 5.813238 5.763723 5.716722 5.671991 5.62932 5.58853 5.54946 5.509962 5.46926 5.427276 5.383929 5.339126 5.292766 5.244738 5.194916 5.143161 5.089318 5.03321 4.974639 4.913379 4.84917 4.781715 4.710668 4.635624 4.556106 4.471548 4.381267 4.284431 4.180014 4.066728 3.942923 3.806446 3.654403 3.482781 3.285781 3.054573 2.77473 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.32419e-10 7.766439e-10 7.420766e-10 7.169617e-10 6.972244000000001e-10 6.809631e-10 6.671349000000001e-10 6.551055e-10 6.444604e-10 6.349135999999999e-10 6.262594e-10 6.183453e-10 6.110544e-10 6.042958e-10 5.97997e-10 5.920995e-10 5.86555e-10 5.813238e-10 5.763723e-10 5.716722e-10 5.671991000000001e-10 5.629320000000001e-10 5.58853e-10 5.54946e-10 5.509962e-10 5.469260000000001e-10 5.427276e-10 5.383929e-10 5.339126000000001e-10 5.292766e-10 5.244738e-10 5.194916e-10 5.143161e-10 5.089318e-10 5.033210000000001e-10 4.974639e-10 4.913379e-10 4.84917e-10 4.781715000000001e-10 4.710668e-10 4.635624e-10 4.556106e-10 4.4715480000000003e-10 4.3812670000000005e-10 4.284431e-10 4.180014e-10 4.0667280000000007e-10 3.942923e-10 3.8064460000000006e-10 3.6544029999999997e-10 3.4827810000000003e-10 3.2857810000000003e-10 3.054573e-10 2.77473e-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" [ 8.14848 9.16597 10.1249 10.6792 11.0159 11.2477 11.4198 11.5523 11.6567 11.741 11.8108 11.87 11.921 11.9652 12.0035 12.0365 12.0646 12.088 12.107 12.122 12.1333 12.141 12.1455 12.147 12.1454 12.1403 12.1312 12.1171 12.097 12.0699 12.034 11.9875 11.928 11.8525 11.7587 11.6446 11.51 11.3567 11.1865 10.9979 10.7815 10.517 10.1771 9.74069 9.16248 8.24217 6.88774 4.9333 1.99926 -2.52793 -9.52034 -20.4345 -38.5624 -73.484 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3055304258616317e-18 1.4685502961944979e-18 1.62218782015866e-18 1.7109964709812799e-18 1.7649417582480598e-18 1.80208021262418e-18 1.82965367249532e-18 1.85088251289582e-18 1.86760923695478e-18 1.8811155859794e-18 1.89229877888472e-18 1.9017836645579997e-18 1.9099547653913996e-18 1.9170363861136797e-18 1.9231727226219e-18 1.9284599055141e-18 1.93296202185564e-18 1.9367111151792e-18 1.9397552507837997e-18 1.9421585157347997e-18 1.9439689753312197e-18 1.9452026513394e-18 1.9459236308246997e-18 1.9461639573198e-18 1.94590760905836e-18 1.94509049897502e-18 1.94363251823808e-18 1.94137344918414e-18 1.9381530741497997e-18 1.93381117547166e-18 1.9280593613556e-18 1.9206092400074998e-18 1.9110762890352e-18 1.8989798554484997e-18 1.88395143862158e-18 1.86567060322764e-18 1.844105305734e-18 1.8195439379347797e-18 1.7922748916240998e-18 1.76205784030686e-18 1.7273867379470998e-18 1.6850091659777998e-18 1.6305511821881399e-18 1.560630591703746e-18 1.467991136549232e-18 1.320541218745578e-18 1.1035376089067159e-18 7.904017988512199e-19 3.2031676572908396e-19 -4.0501903783876197e-19 -1.5253266295735557e-18 -3.2739678427473e-18 -6.178377623096159e-18 -1.1773434777285599e-17 ] } }