{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.80547 9.148467 8.741283 8.445442 8.212947 8.021398 7.858508 7.716808 7.591414 7.478957 7.377016 7.283791 7.197908 7.118296 7.044099 6.974629 6.909318 6.847697 6.789371 6.734006 6.681315 6.631052 6.583002 6.53698 6.505649 6.472675 6.437875 6.401035 6.361901 6.32017 6.27547 6.227347 6.175233 6.118406 6.055928 5.98655 5.908554 5.819495 5.715705 5.591327 5.436119 5.22958 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.80547e-10 9.148467000000001e-10 8.741282999999999e-10 8.445442000000001e-10 8.212947e-10 8.021398e-10 7.858508e-10 7.716808e-10 7.591414000000001e-10 7.478957e-10 7.377016e-10 7.283791e-10 7.197908e-10 7.118296e-10 7.044099e-10 6.974629000000001e-10 6.909318e-10 6.847697e-10 6.789371e-10 6.734006000000001e-10 6.681315e-10 6.631052e-10 6.583002e-10 6.53698e-10 6.505649e-10 6.472675e-10 6.437875e-10 6.401035000000001e-10 6.361901e-10 6.32017e-10 6.27547e-10 6.227347e-10 6.175233000000001e-10 6.118406e-10 6.055928e-10 5.98655e-10 5.908553999999999e-10 5.819495e-10 5.715705e-10 5.591326999999999e-10 5.436119e-10 5.22958e-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" [ 2.22954 2.65597 2.94465 3.1612 3.33156 3.46904 3.58148 3.674 3.75012 3.81238 3.86272 3.90263 3.93328 3.95564 3.97365 4.01954 4.09469 4.1878 4.28694 4.38135 4.46242 4.52398 4.56214 4.575 4.56865 4.55366 4.53473 4.51102 4.48145 4.44464 4.39877 4.34141 4.26927 4.17774 4.06025 3.91445 3.76085 3.58897 3.34794 2.901 2.00705 0.340319 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.57211689256836e-19 4.2553330746049796e-19 4.7178494253081e-19 5.064800775400799e-19 5.337747586769039e-19 5.55801483041136e-19 5.73816357113832e-19 5.886396953316e-19 6.00835463869608e-19 6.108106155928919e-19 6.18875972768448e-19 6.25270259714742e-19 6.301809310979519e-19 6.337633980515759e-19 6.3664891816941e-19 6.4400130674283595e-19 6.56041664147346e-19 6.7095953078651995e-19 6.868435099359961e-19 7.0196965953759e-19 7.1495850550942795e-19 7.248215048683319e-19 7.30935410903676e-19 7.32995810055e-19 7.319784278924099e-19 7.29576765118044e-19 7.265438447498819e-19 7.22745083950668e-19 7.180074476439299e-19 7.121098354541759e-19 7.047606512340179e-19 6.955705660613939e-19 6.840124638237179e-19 6.693477410927159e-19 6.5052376781985e-19 6.271640324961299e-19 6.025545993978899e-19 5.75016387412698e-19 5.363991240033959e-19 4.647914415233999e-19 3.2156486132697e-19 5.452511499062459e-20 ] } }