{ "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" [ 1.8153622569200398e-19 2.23024589629434e-19 2.5353644144733e-19 2.78075378773674e-19 2.98618487574822e-19 3.1620397830960595e-19 3.31459904218554e-19 3.44806035579774e-19 3.5654037724719e-19 3.66885631772928e-19 3.76011629880192e-19 3.8405615875950595e-19 3.91126564245348e-19 3.9731417040585594e-19 4.02694279542828e-19 4.07332580898258e-19 4.11283548477702e-19 4.1459524758017996e-19 4.1731093697480997e-19 4.19467466724174e-19 4.21096880360952e-19 4.2222961924118995e-19 4.2289292036766596e-19 4.2310761203662195e-19 4.2300347055541196e-19 4.22660604755736e-19 4.2202293845540393e-19 4.2102478241242193e-19 4.1957481255865197e-19 4.1756087652971394e-19 4.14829165368744e-19 4.11179406996492e-19 4.06334424855276e-19 3.99906492199668e-19 3.91338051561036e-19 3.7980398197287e-19 3.6403535954104203e-19 3.4197018293759397e-19 3.1006603962475196e-19 2.61686713984488e-19 1.8289807583090397e-19 3.87843704322282e-20 ] } }