{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 7.67742 7.163004 6.84419 6.612555 6.430517 6.280539 6.153001 6.042054 5.943873 5.855823 5.776006 5.703013 5.635769 5.573435 5.515341 5.460947 5.409811 5.361563 5.315896 5.272546 5.23129 5.191935 5.154314 5.11828 5.081851 5.044311 5.00559 4.96561 4.924288 4.881531 4.837234 4.791283 4.743549 4.69389 4.642141 4.588121 4.531621 4.472401 4.410187 4.34466 4.275447 4.202107 4.124119 4.040853 3.951541 3.855237 3.750752 3.636567 3.510694 3.370464 3.212177 3.030483 2.81724 2.55914 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.67742e-10 7.163004e-10 6.844190000000001e-10 6.612555000000001e-10 6.430517e-10 6.280539e-10 6.153001e-10 6.042054e-10 5.943873e-10 5.855823000000001e-10 5.776006e-10 5.703013000000001e-10 5.635769e-10 5.573435e-10 5.515341e-10 5.460947e-10 5.409811000000001e-10 5.361563000000001e-10 5.315896000000001e-10 5.272546e-10 5.23129e-10 5.191935e-10 5.154314000000001e-10 5.118280000000001e-10 5.081851000000001e-10 5.044311e-10 5.00559e-10 4.96561e-10 4.924288e-10 4.881531e-10 4.837234e-10 4.791283000000001e-10 4.743549e-10 4.69389e-10 4.6421409999999996e-10 4.5881210000000004e-10 4.5316210000000006e-10 4.472401e-10 4.410187e-10 4.34466e-10 4.275447e-10 4.202107e-10 4.1241190000000006e-10 4.0408530000000005e-10 3.9515410000000004e-10 3.855237e-10 3.750752e-10 3.636567e-10 3.510694e-10 3.3704640000000003e-10 3.212177e-10 3.030483e-10 2.81724e-10 2.5591400000000003e-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" [ 1.74762 1.81421 2.07615 2.41569 2.72587 2.987 3.22215 3.45291 3.68226 3.90523 4.1163 4.31149 4.48851 4.64633 4.78479 4.90425 5.0054 5.08909 5.15625 5.20805 5.24586 5.27118 5.28548 5.29 5.28531 5.27044 5.24393 5.20384 5.1477 5.07242 4.97452 4.85069 4.69812 4.51419 4.29536 4.03598 3.72681 3.35374 2.8963 2.32603 1.60797 0.712084 -0.385712 -1.72758 -3.38709 -5.48114 -8.2436 -12.1114 -17.7737 -26.2928 -39.7461 -62.5802 -106.234 -201.287 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7999959291110797e-19 2.90668487116914e-19 3.3263590186791e-19 3.87036207298746e-19 4.36732522132158e-19 4.785701605758e-19 5.162453441243099e-19 5.53217172130494e-19 5.899630932312839e-19 6.25686825639582e-19 6.5950396785342e-19 6.907768535724659e-19 7.191385843475339e-19 7.44424135985322e-19 7.66607873659686e-19 7.8574747572945e-19 8.019534923823599e-19 8.153621086323058e-19 8.261223269062499e-19 8.344216018703699e-19 8.40479431723524e-19 8.44536142960812e-19 8.468272555474319e-19 8.47551439386e-19 8.46800018544654e-19 8.444175818898959e-19 8.401702116331619e-19 8.337470855074559e-19 8.2475246588418e-19 8.12691280183428e-19 7.97005970936568e-19 7.77166217677746e-19 7.52721808772808e-19 7.23252973943646e-19 6.881925426618239e-19 6.46635285129132e-19 5.971007901357539e-19 5.37328386451116e-19 4.6403841850542e-19 3.7267109159830196e-19 2.5762519621729796e-19 1.140884346245256e-19 -6.179787538534079e-20 -2.7678883093657194e-19 -5.42671645525506e-19 -8.78175443568276e-19 -1.32077033000424e-18 -1.9404602085027597e-18 -2.84766068397258e-18 -4.21257098024352e-18 -6.368027271262739e-18 -1.002645341910468e-17 -1.7020563253635598e-17 -3.22497328127958e-17 ] } }