{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 9.54458 8.905057 8.508707 8.220737 7.994427 7.807974 7.649418 7.511488 7.38943 7.279965 7.180736 7.089992 7.006394 6.928899 6.856677 6.789055 6.725482 6.6655 6.608726 6.554834 6.503545 6.454619 6.407848 6.36305 6.317762 6.271092 6.222953 6.173251 6.12188 6.068723 6.013654 5.956527 5.897185 5.835448 5.771115 5.703957 5.633716 5.560094 5.48275 5.401286 5.31524 5.224065 5.12711 5.023594 4.912561 4.792836 4.662941 4.520986 4.364501 4.190168 3.993385 3.767503 3.5024 3.18153 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.54458e-10 8.905056999999999e-10 8.508707e-10 8.220737e-10 7.994427e-10 7.807974e-10 7.649418e-10 7.511488000000001e-10 7.389430000000001e-10 7.279965e-10 7.180736e-10 7.089992e-10 7.006394000000001e-10 6.928899e-10 6.856677000000001e-10 6.789055000000001e-10 6.725482000000001e-10 6.6655e-10 6.608726e-10 6.554833999999999e-10 6.503545e-10 6.454619e-10 6.407848000000001e-10 6.36305e-10 6.317762e-10 6.271092000000001e-10 6.222953000000001e-10 6.173251e-10 6.12188e-10 6.068723e-10 6.013654e-10 5.956527e-10 5.897185e-10 5.835448e-10 5.771115e-10 5.703957e-10 5.633716e-10 5.560094e-10 5.482750000000001e-10 5.401286e-10 5.315240000000001e-10 5.224065000000001e-10 5.12711e-10 5.023594e-10 4.912561e-10 4.792836e-10 4.662941e-10 4.520986e-10 4.364501e-10 4.190168e-10 3.9933850000000003e-10 3.767503e-10 3.5024e-10 3.18153e-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 0 0 0 0.0345853 0.718016 1.64543 2.46831 3.39599 4.07685 4.50744 4.78909 4.97504 5.10766 5.20411 5.27576 5.3293 5.36892 5.39769 5.41803 5.43186 5.4406 5.44533 5.44677 5.44532 5.44081 5.43286 5.42094 5.40433 5.38203 5.35277 5.31493 5.26693 5.20767 5.13599 5.05051 4.94963 4.83142 4.6936 4.53338 4.3474 4.13146 3.88035 3.58744 3.27379 4.08933 3.89363 -1.63075 -13.1335 -25.4109 -41.4763 -66.0342 -86.1088 -112.742 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.541175953988019e-21 1.1503884580381439e-19 2.6362694988826196e-19 3.954668607468539e-19 5.440975827297659e-19 6.5318338103229e-19 7.221715047156959e-19 7.67296809612306e-19 7.970892841215359e-19 8.183373506416439e-19 8.33790344276574e-19 8.4526993985918395e-19 8.538479935576199e-19 8.60195817381528e-19 8.648052795575459e-19 8.68064106831102e-19 8.70279917115924e-19 8.7168021949404e-19 8.72438049041922e-19 8.726687624772179e-19 8.724364468652878e-19 8.71713865203354e-19 8.704401347793238e-19 8.68530340231596e-19 8.658691248425219e-19 8.62296270948702e-19 8.576083021176178e-19 8.51545665734562e-19 8.43855217891362e-19 8.34360719158278e-19 8.228763170457659e-19 8.09180911178334e-19 7.930181532945419e-19 7.740788233040279e-19 7.519976249342399e-19 7.26327550904292e-19 6.9653026986516e-19 6.619328676305639e-19 6.2170061017419e-19 5.74771254387696e-19 5.245189842622859e-19 6.5518289747152205e-19 6.23828300744142e-19 -2.6127495458954996e-19 -2.1042186822639e-18 -4.07127502289106e-18 -6.64523587247742e-18 -1.0579845228488279e-17 -1.379615073417792e-17 -1.80632598070428e-17 ] } }