{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.50887 8.871741 8.476874 8.189982 7.96452 7.778765 7.620802 7.483389 7.361788 7.252733 7.153875 7.06347 6.980186 6.902981 6.831029 6.76366 6.700325 6.640568 6.584007 6.530316 6.479219 6.430476 6.38388 6.33925 6.308867 6.27689 6.243143 6.207417 6.169468 6.128998 6.085651 6.038984 5.988446 5.933339 5.872751 5.805471 5.729835 5.64347 5.542819 5.422204 5.271691 5.0714 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.50887e-10 8.871741e-10 8.476874000000001e-10 8.189982000000001e-10 7.964520000000001e-10 7.778765e-10 7.620802000000001e-10 7.483389e-10 7.361788e-10 7.252733e-10 7.153875000000001e-10 7.06347e-10 6.980186e-10 6.902981e-10 6.831029e-10 6.76366e-10 6.700325000000001e-10 6.640568e-10 6.584007e-10 6.530316000000001e-10 6.479219e-10 6.430476e-10 6.383880000000001e-10 6.33925e-10 6.308867000000001e-10 6.27689e-10 6.243143e-10 6.207417000000001e-10 6.169468e-10 6.128998000000001e-10 6.085651000000001e-10 6.038984000000001e-10 5.988446e-10 5.933339000000001e-10 5.872751000000001e-10 5.805471e-10 5.729835e-10 5.64347e-10 5.542819e-10 5.422204e-10 5.271691e-10 5.0714e-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" [ 0.000719915 0.0179183 0.0627558 0.143534 0.27304 0.439909 0.674679 1.31098 2.02971 2.72512 3.33312 3.85144 4.30441 4.71097 5.06511 5.35818 5.59151 5.7695 5.89686 5.98027 6.03196 6.06157 6.07584 6.07972 6.07821 6.07347 6.06501 6.05223 6.03436 6.01041 5.97903 5.93839 5.886 5.82365 5.7596 5.70404 5.66501 5.63732 5.56816 5.2965 4.40215 1.72162 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.153430981963232e-22 2.8708281344480643e-21 1.0054587557960064e-20 2.299668190899072e-20 4.3745830454323204e-20 7.048119150795073e-20 1.0809549203447233e-19 2.100421506336384e-19 3.2519539090039683e-19 4.366123552874496e-19 5.340246938320896e-19 6.170687124413953e-19 6.896425068337728e-19 7.547805995290176e-19 8.115200823780288e-19 8.584750726038145e-19 8.95858659696941e-19 9.243758013705601e-19 9.44781122813069e-19 9.581448780071616e-19 9.664265289600767e-19 9.711705739342656e-19 9.734568799721473e-19 9.740785245010176e-19 9.73836595831277e-19 9.730771641130178e-19 9.717217226918208e-19 9.696741409704384e-19 9.668110513490688e-19 9.62973838342253e-19 9.579462081061824e-19 9.514349623192512e-19 9.4304115900288e-19 9.33051587772192e-19 9.22789646515968e-19 9.138879532108032e-19 9.076346578598209e-19 9.031982307968256e-19 8.921175772873728e-19 8.4859284720672005e-19 7.05302181125472e-19 2.758339313901696e-19 ] } }