{ "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" [ 14.9015 13.90305 13.28425 12.834659 12.481336 12.190236 11.942692 11.72735 11.536788 11.365887 11.210967 11.069292 10.938776 10.817788 10.705032 10.599457 10.500204 10.406559 10.31792 10.233781 10.153706 10.077321 10.0043 9.93436 9.886746 9.836634 9.783748 9.727763 9.668291 9.604871 9.53694 9.463807 9.38461 9.298249 9.203301 9.097865 8.979335 8.84399 8.686259 8.49724 8.26137 7.94749 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.49015e-09 1.390305e-09 1.328425e-09 1.2834659e-09 1.2481336e-09 1.2190236000000001e-09 1.1942692e-09 1.172735e-09 1.1536788e-09 1.1365887000000001e-09 1.1210967e-09 1.1069292000000002e-09 1.0938776e-09 1.0817788e-09 1.0705032e-09 1.0599457e-09 1.0500204e-09 1.0406559e-09 1.031792e-09 1.0233781e-09 1.0153706e-09 1.0077321e-09 1.00043e-09 9.93436e-10 9.886746e-10 9.836634000000001e-10 9.783747999999999e-10 9.727763e-10 9.668291e-10 9.604871e-10 9.53694e-10 9.463807e-10 9.38461e-10 9.298249e-10 9.203301e-10 9.097865e-10 8.979335000000001e-10 8.843990000000001e-10 8.686259e-10 8.49724e-10 8.26137e-10 7.947490000000001e-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" [ 0.0100041 0.0149959 0.0193839 0.0234037 0.0271628 0.030683 0.0340049 0.0371275 0.0400607 0.0428103 0.0453815 0.0477812 0.0500019 0.0520428 0.0539081 0.0555983 0.057102 0.0584161 0.0595372 0.0604617 0.0611857 0.0617051 0.0620232 0.0621312 0.0620768 0.0618938 0.0615455 0.0609832 0.0601442 0.0589401 0.0572462 0.0548894 0.0516192 0.0470633 0.040651 0.031475 0.0180085 -0.00245038 -0.0351008 -0.0910547 -0.197691 -0.440535 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6028335132145282e-21 2.402608038785472e-21 3.105643139992512e-21 3.749686098021696e-21 4.351960311546625e-21 4.91595852560064e-21 5.448185577264192e-21 5.9484812488752004e-21 6.418431695288256e-21 6.858966178943425e-21 7.27091783168352e-21 7.655392155376897e-21 8.011187517557953e-21 8.338175744097025e-21 8.637029749174848e-21 8.907829641622465e-21 9.14874894009216e-21 9.359290969831488e-21 9.538910990789376e-21 9.687032219382336e-21 9.803029806728257e-21 9.886246860412608e-21 9.937212098720256e-21 9.954515606224896e-21 9.945799765407745e-21 9.916479933247104e-21 9.86067612154464e-21 9.770585730157057e-21 9.636163111671938e-21 9.443245024761409e-21 9.171852326964096e-21 8.794251340973953e-21 8.270307542439937e-21 7.540371895769665e-21 6.51300818121408e-21 5.042850913968001e-21 2.8852797675676802e-21 -3.925941548075904e-22 -5.623768113137665e-21 -1.4588571155395778e-20 -3.1673589834257284e-20 -7.058148776441281e-20 ] } }