{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.22217 3.939269 3.763938 3.636551 3.53644 3.45396 3.383821 3.322806 3.268812 3.220389 3.176494 3.136352 3.099371 3.065091 3.033142 3.003229 2.975106 2.948573 2.923458 2.899618 2.87693 2.855287 2.834597 2.81478 2.794746 2.774101 2.752806 2.73082 2.708095 2.68458 2.66022 2.634949 2.608698 2.581388 2.552929 2.523221 2.492149 2.459581 2.425367 2.38933 2.351267 2.310934 2.268045 2.222253 2.173136 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2221700000000004e-10 3.939269e-10 3.763938e-10 3.636551e-10 3.53644e-10 3.45396e-10 3.383821e-10 3.322806e-10 3.2688120000000003e-10 3.220389e-10 3.176494e-10 3.1363520000000004e-10 3.099371e-10 3.065091e-10 3.033142e-10 3.0032290000000005e-10 2.9751059999999997e-10 2.948573e-10 2.9234580000000003e-10 2.899618e-10 2.8769300000000004e-10 2.8552870000000005e-10 2.8345970000000003e-10 2.81478e-10 2.794746e-10 2.774101e-10 2.7528060000000004e-10 2.73082e-10 2.708095e-10 2.68458e-10 2.66022e-10 2.6349490000000005e-10 2.608698e-10 2.5813880000000003e-10 2.552929e-10 2.523221e-10 2.492149e-10 2.459581e-10 2.425367e-10 2.3893300000000005e-10 2.3512670000000003e-10 2.3109340000000002e-10 2.268045e-10 2.222253e-10 2.173136e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.289937 1.00142 1.57451 2.02005 2.38082 2.67107 2.90262 3.0877 3.24095 3.3722 3.48679 3.58745 3.67574 3.75267 3.82076 3.88208 3.93804 3.98883 4.03281 4.06816 4.09384 4.11051 4.11964 4.12245 4.11968 4.11118 4.09625 4.07194 4.03386 3.97675 3.89455 3.78135 3.63481 3.45468 3.24038 2.99108 2.70149 2.35739 1.9418 1.43177 0.783856 -0.0932871 -1.60558 -3.65645 -6.52009 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.6453028673205795e-20 1.60445172482028e-19 2.52264313199934e-19 3.2364769095116995e-19 3.8144941737598795e-19 4.2795259417783796e-19 4.65050994138108e-19 4.947040792801799e-19 5.1925743619623e-19 5.4028600451748e-19 5.586453465664859e-19 5.7477285656433e-19 5.889184740659159e-19 6.0124401891127795e-19 6.12153239612184e-19 6.21977786731872e-19 6.30943567175736e-19 6.39081022299822e-19 6.461273951361539e-19 6.517910895373439e-19 6.55905479133456e-19 6.585763075823339e-19 6.600390948491761e-19 6.604893064833299e-19 6.600455035557119e-19 6.58683653416812e-19 6.562916037022501e-19 6.523967123049959e-19 6.462956236827239e-19 6.371455929259499e-19 6.2397570099447e-19 6.0583906149759e-19 5.82360765102954e-19 5.53500757394712e-19 5.19166112128092e-19 4.79223848642472e-19 4.32826415498466e-19 3.77695517522526e-19 3.1111065879011996e-19 2.29394843926218e-19 1.255875767620704e-19 -1.4946241187362138e-20 -2.57242276001772e-19 -5.858278753389299e-19 -1.0446335849577058e-18 ] } }