{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.36083 8.733619 8.344899 8.062473 7.84052 7.657656 7.502153 7.366879 7.24717 7.139813 7.042494 6.953497 6.871509 6.795506 6.724674 6.658354 6.596004 6.537178 6.481497 6.428642 6.37834 6.330356 6.284485 6.24055 6.196133 6.150362 6.10315 6.054404 6.004022 5.951889 5.897879 5.841852 5.783653 5.723104 5.660009 5.594144 5.525255 5.45305 5.377195 5.297299 5.212909 5.123489 5.028401 4.926876 4.817981 4.700561 4.573166 4.433944 4.28047 4.109493 3.916498 3.694964 3.434964 3.12027 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.36083e-10 8.733619e-10 8.344899e-10 8.062473e-10 7.84052e-10 7.657656000000001e-10 7.502153e-10 7.366879e-10 7.24717e-10 7.139813000000001e-10 7.042493999999999e-10 6.953497e-10 6.871509e-10 6.795506e-10 6.724674000000001e-10 6.658354e-10 6.596004e-10 6.537178e-10 6.481497e-10 6.428642e-10 6.37834e-10 6.330356000000001e-10 6.284485000000001e-10 6.24055e-10 6.196133e-10 6.150362e-10 6.103150000000001e-10 6.054404000000001e-10 6.004022e-10 5.951889000000001e-10 5.897878999999999e-10 5.841852e-10 5.783653e-10 5.723104000000001e-10 5.660009e-10 5.594144e-10 5.525255e-10 5.45305e-10 5.377195e-10 5.297299e-10 5.212909e-10 5.123489000000001e-10 5.028401e-10 4.926876e-10 4.817980999999999e-10 4.700561e-10 4.573166e-10 4.4339440000000006e-10 4.2804700000000006e-10 4.109493e-10 3.916498e-10 3.694964e-10 3.434964e-10 3.1202700000000003e-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" [ 0.816158 1.03095 1.17936 1.29073 1.38322 1.46536 1.53687 1.59662 1.64692 1.69028 1.72853 1.76236 1.79237 1.81938 1.8441 1.86694 1.88795 1.90686 1.92323 1.93657 1.94669 1.95363 1.95758 1.95883 1.95757 1.95365 1.94691 1.93708 1.92363 1.90543 1.88014 1.84519 1.80054 1.74411 1.67319 1.58421 1.47228 1.33057 1.14914 0.913906 0.60647 0.202891 -0.329372 -1.03699 -1.99082 -3.29141 -5.08093 -7.57455 -11.1462 -16.5087 -25.0843 -40.4007 -74.8606 -197.495 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.307629277252172e-19 1.6517640008223e-19 1.8895430350742398e-19 2.0679774468028198e-19 2.2161627636814795e-19 2.34776555239824e-19 2.46233720349558e-19 2.5580672573770795e-19 2.63865674206728e-19 2.7081271209175197e-19 2.7694103771680195e-19 2.8236120126962398e-19 2.87169333348258e-19 2.91496812436692e-19 2.9545739307594e-19 2.99116764507996e-19 3.0248293761603e-19 3.05512653630924e-19 3.0813541678078196e-19 3.10272720410538e-19 3.1189412316414597e-19 3.1300603374814196e-19 3.13638893518572e-19 3.13839165597822e-19 3.1363729134193797e-19 3.1300923810141e-19 3.1192937105009396e-19 3.1035443141887196e-19 3.0819950384614197e-19 3.0528354237226197e-19 3.01231637664876e-19 2.95632030329046e-19 2.88478311658236e-19 2.79437228912574e-19 2.6807459222424596e-19 2.5381842453491397e-19 2.35885261470552e-19 2.13180816390138e-19 1.84112525719476e-19 1.4642388388724039e-19 9.716720632219799e-20 3.2506721944889394e-20 -5.2771212229384794e-20 -1.66144114769166e-19 -3.18964528649988e-19 -5.273420194913939e-19 -8.14054732498962e-19 -1.21357670230647e-18 -1.78581811978908e-18 -2.64498533977158e-18 -4.0189479340246196e-18 -6.47290575372438e-18 -1.199399041272204e-17 -3.1642187433182996e-17 ] } }