{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.94581 7.413412 7.083453 6.84372 6.655319 6.500098 6.368102 6.253276 6.151664 6.060535 5.977928 5.902384 5.832789 5.768275 5.708151 5.651856 5.598932 5.548998 5.501734 5.456869 5.414171 5.37344 5.334504 5.29721 5.271821 5.245101 5.216901 5.187048 5.155337 5.12152 5.085297 5.046302 5.004072 4.958023 4.907394 4.851174 4.787971 4.715802 4.631697 4.530908 4.405137 4.23777 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.94581e-10 7.413412e-10 7.083453000000001e-10 6.84372e-10 6.655319000000001e-10 6.500098000000001e-10 6.368102000000001e-10 6.253276e-10 6.151664e-10 6.060535e-10 5.977928e-10 5.902384e-10 5.832789e-10 5.768275e-10 5.708151e-10 5.651856e-10 5.598932e-10 5.548998000000001e-10 5.501734e-10 5.456869e-10 5.414171e-10 5.373440000000001e-10 5.334504e-10 5.29721e-10 5.271821e-10 5.245101e-10 5.216901e-10 5.187048e-10 5.155337e-10 5.121520000000001e-10 5.085297e-10 5.046302e-10 5.004072e-10 4.958023e-10 4.907394e-10 4.851174000000001e-10 4.787970999999999e-10 4.715802e-10 4.631697e-10 4.5309080000000003e-10 4.405137e-10 4.2377700000000003e-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" [ 1.13306 1.39201 1.58245 1.73561 1.86383 1.97359 2.06881 2.15211 2.22535 2.28992 2.34688 2.39709 2.44122 2.47984 2.51342 2.54237 2.56703 2.5877 2.60465 2.61811 2.62828 2.63535 2.63949 2.64083 2.64018 2.63804 2.63406 2.62783 2.61878 2.60621 2.58916 2.56638 2.53614 2.49602 2.44254 2.37055 2.27213 2.13441 1.93528 1.63332 1.14156 0.242073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.815362241963648e-19 2.230245877919808e-19 2.53536439358496e-19 2.780753764826688e-19 2.9861848511456644e-19 3.162039757044672e-19 3.314599014877248e-19 3.448060327389888e-19 3.5654037430972805e-19 3.668856287502336e-19 3.7601162678231043e-19 3.840561555953472e-19 3.911265610229376e-19 3.973141671324672e-19 4.026942762251136e-19 4.0733257754232964e-19 4.1128354508922243e-19 4.14595244164416e-19 4.17310933536672e-19 4.1946746326826884e-19 4.2109687689162244e-19 4.22229615762528e-19 4.228929168835392e-19 4.231076085507264e-19 4.230034670703744e-19 4.2266060127352327e-19 4.220229349784448e-19 4.210247789436864e-19 4.195748091018624e-19 4.175608730895168e-19 4.1482916195105286e-19 4.1117940360887045e-19 4.063344215075712e-19 3.9990648890492163e-19 3.9133804833688326e-19 3.7980397884374403e-19 3.6403535654183047e-19 3.419701801201728e-19 3.100660370701824e-19 2.6168671182850563e-19 1.828980743240448e-19 3.878437011269184e-20 ] } }