{ "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" [ "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" "Ra" ] } "a" { "source-value" [ 14.7434 13.755541 13.143306 12.698484 12.348908 12.060897 11.815979 11.602921 11.41438 11.245292 11.092015 10.951843 10.822712 10.703007 10.591447 10.486992 10.388792 10.29614 10.208442 10.125195 10.045969 9.970394 9.898148 9.82895 9.781841 9.732261 9.679936 9.624545 9.565704 9.502957 9.435747 9.36339 9.285032 9.199588 9.105647 9.00133 8.884057 8.750149 8.594091 8.407078 8.17371 7.86316 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.4743399999999999e-09 1.3755541e-09 1.3143306000000001e-09 1.2698484e-09 1.2348908000000001e-09 1.2060897e-09 1.1815979e-09 1.1602921e-09 1.141438e-09 1.1245292e-09 1.1092015000000001e-09 1.0951843e-09 1.0822712e-09 1.0703007e-09 1.0591447000000002e-09 1.0486992e-09 1.0388792e-09 1.029614e-09 1.0208442e-09 1.0125195e-09 1.0045969e-09 9.970394000000001e-10 9.898148000000002e-10 9.82895e-10 9.781841e-10 9.732261e-10 9.679936e-10 9.624545e-10 9.565704e-10 9.502957e-10 9.435747e-10 9.363390000000002e-10 9.285031999999999e-10 9.199588e-10 9.105647e-10 9.00133e-10 8.884057000000001e-10 8.750149000000001e-10 8.594091000000001e-10 8.407078e-10 8.17371e-10 7.86316e-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" [ 0.855563 1.28244 1.6576 2.00146 2.32286 2.62394 2.90796 3.17494 3.42573 3.66082 3.88073 4.08591 4.27578 4.45028 4.60991 4.75442 4.88299 4.99535 5.0912 5.17025 5.23215 5.27656 5.30391 5.31314 5.30849 5.29285 5.26306 5.21499 5.14332 5.04037 4.89555 4.69404 4.41443 4.02491 3.47664 2.69215 1.54075 -0.208327 -2.99996 -7.78372 -16.901 -37.6643 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3707630362215105e-19 2.0546953855787522e-19 2.65576796663808e-19 3.206692419466368e-19 3.721631985391488e-19 4.2040153223819525e-19 4.659065526221569e-19 5.086814640442752e-19 5.488624515173185e-19 5.865280216957056e-19 6.217614877637184e-19 6.546349476692928e-19 6.8505547516842245e-19 7.130134572013825e-19 7.385890025992128e-19 7.6174205694639355e-19 7.823412417600193e-19 8.003432982713281e-19 8.15700161181696e-19 8.283653673691201e-19 8.38282840651872e-19 8.453981070248449e-19 8.497800600827329e-19 8.512588691037312e-19 8.505138569750593e-19 8.48008052740128e-19 8.432351685867649e-19 8.355335055705792e-19 8.240507057293057e-19 8.075562974181697e-19 7.843535755957441e-19 7.520681145100033e-19 7.072696540158145e-19 6.448616702824128e-19 5.570191326938113e-19 4.31329978968672e-19 2.4685536284976003e-19 -3.3377664888140167e-20 -4.8064657753351685e-19 -1.2470894206853377e-18 -2.70783870681408e-18 -6.0344860898797436e-18 ] } }