{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.3392 4.048458 3.868267 3.737349 3.634463 3.549697 3.477614 3.414907 3.359417 3.309652 3.26454 3.223285 3.18528 3.150049 3.117215 3.086472 3.05757 3.030301 3.00449 2.97999 2.956672 2.934429 2.913166 2.8928 2.872211 2.850993 2.829108 2.806513 2.783158 2.758992 2.733955 2.707984 2.681006 2.652939 2.623691 2.59316 2.561226 2.527756 2.492593 2.455558 2.416439 2.374989 2.33091 2.283849 2.233371 2.178941 2.119887 2.055351 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3392e-10 4.048458e-10 3.868267e-10 3.737349e-10 3.6344630000000003e-10 3.549697e-10 3.4776140000000003e-10 3.414907e-10 3.359417e-10 3.309652e-10 3.2645400000000003e-10 3.2232850000000005e-10 3.18528e-10 3.150049e-10 3.117215e-10 3.086472e-10 3.05757e-10 3.030301e-10 3.00449e-10 2.97999e-10 2.956672e-10 2.934429e-10 2.913166e-10 2.8928e-10 2.872211e-10 2.850993e-10 2.829108e-10 2.806513e-10 2.783158e-10 2.758992e-10 2.733955e-10 2.7079840000000004e-10 2.681006e-10 2.652939e-10 2.623691e-10 2.59316e-10 2.561226e-10 2.527756e-10 2.492593e-10 2.455558e-10 2.416439e-10 2.3749889999999997e-10 2.33091e-10 2.283849e-10 2.233371e-10 2.178941e-10 2.1198869999999998e-10 2.055351e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.26758 1.77319 2.09988 2.21347 2.37473 2.6066 2.81382 2.96242 3.06459 3.14102 3.19933 3.24114 3.27211 3.29629 3.31578 3.33256 3.34814 3.36318 3.37732 3.38988 3.40026 3.40796 3.41269 3.41428 3.41253 3.40662 3.395 3.37736 3.35596 3.33325 3.31086 3.28876 3.26234 3.22266 3.16269 3.08459 2.99234 2.873 2.66981 2.29855 1.74294 1.0912 0.423035 -0.229871 -0.844268 -1.33608 -1.08002 1.57382 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0308870577257197e-19 2.84096358564246e-19 3.36437867020392e-19 3.54636991405998e-19 3.80473691805882e-19 4.1762336141843996e-19 4.50823665628188e-19 4.74632010409428e-19 4.91001449079006e-19 5.03246885092668e-19 5.125891770455219e-19 5.19287877552276e-19 5.24249818587774e-19 5.28123881688786e-19 5.31246523948452e-19 5.33934976340304e-19 5.36431167536076e-19 5.388408411936119e-19 5.41106318954088e-19 5.431186528063919e-19 5.447817121524839e-19 5.46015388160664e-19 5.467732177085459e-19 5.47027963793352e-19 5.46747582882402e-19 5.45800696491708e-19 5.439389672429999e-19 5.41112727660624e-19 5.37684069663864e-19 5.3404552652805e-19 5.30458253044524e-19 5.269174426833839e-19 5.22684492016356e-19 5.16327055132644e-19 5.06718801858546e-19 4.94205802347006e-19 4.79425722898356e-19 4.603053469482e-19 4.2775071992195397e-19 3.6826831020807e-19 2.7924977424639595e-19 1.7482951430207999e-19 6.7777679236419e-20 -3.6829394503421394e-20 -1.352666462433912e-19 -2.1406361571547199e-19 -1.7303828082526798e-19 2.5215376301218797e-19 ] } }