{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 8.79479 8.205506 7.840291 7.574943 7.366412 7.194606 7.048505 6.921411 6.808941 6.708075 6.616642 6.533026 6.455995 6.384588 6.318039 6.255729 6.197151 6.141881 6.089567 6.039908 5.992648 5.947565 5.904469 5.86319 5.835088 5.805513 5.7743 5.741257 5.706158 5.668727 5.628635 5.585472 5.53873 5.487761 5.431723 5.369495 5.299539 5.21966 5.126568 5.01501 4.8758 4.69055 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.794790000000001e-10 8.205506e-10 7.840291e-10 7.574943000000001e-10 7.366412e-10 7.194606000000001e-10 7.048505e-10 6.921411e-10 6.808941e-10 6.708075e-10 6.616642e-10 6.533026000000001e-10 6.455995e-10 6.384588e-10 6.318039e-10 6.255729e-10 6.197151e-10 6.141881e-10 6.089567e-10 6.039907999999999e-10 5.992648e-10 5.947565e-10 5.904469e-10 5.863190000000001e-10 5.835088e-10 5.805513e-10 5.7743e-10 5.741257e-10 5.706158e-10 5.668727e-10 5.628635e-10 5.585472e-10 5.53873e-10 5.487761e-10 5.431723e-10 5.369495e-10 5.299539e-10 5.219660000000001e-10 5.126568e-10 5.015010000000001e-10 4.8758e-10 4.69055e-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" [ 0.0517251 0.721412 1.20236 1.52402 1.78219 2.00342 2.18956 2.34396 2.47069 2.57361 2.65605 2.72163 2.77417 2.8165 2.85077 2.87858 2.90117 2.9195 2.93434 2.94629 2.95561 2.96225 2.96622 2.96753 2.96689 2.96475 2.96077 2.95448 2.94531 2.93251 2.91512 2.89186 2.86118 2.82352 2.78192 2.74201 2.71409 2.71723 2.77057 2.83876 2.79129 2.38968 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.287274592854208e-21 1.1558294403645698e-19 1.9263930817850882e-19 2.441749213631616e-19 2.855383151823552e-19 3.2098326856431367e-19 3.5080618418388486e-19 3.7554379120903685e-19 3.958481755244352e-19 4.123377773057088e-19 4.25546121367584e-19 4.360531956467904e-19 4.444710316124736e-19 4.5125304524832e-19 4.567437045278015e-19 4.611993577102464e-19 4.648186746966337e-19 4.677554644425601e-19 4.701330945478272e-19 4.720476956096832e-19 4.735409242202689e-19 4.746047694964801e-19 4.752408336149376e-19 4.754507187522624e-19 4.753481794485312e-19 4.7500531365168e-19 4.743676473566016e-19 4.733598782621184e-19 4.718906823008448e-19 4.698398962262209e-19 4.670537110826496e-19 4.633270482626688e-19 4.584115703900544e-19 4.523777732361216e-19 4.457127184935936e-19 4.393184315999808e-19 4.348451544747073e-19 4.353482379336384e-19 4.438942480289857e-19 4.548194904062208e-19 4.472139579872832e-19 3.828689427193344e-19 ] } }