{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 7.42404 6.926602 6.61831 6.394319 6.218289 6.073261 5.949932 5.842646 5.747706 5.662561 5.585378 5.514795 5.44977 5.389493 5.333316 5.280718 5.231269 5.184614 5.140454 5.098535 5.058641 5.020585 4.984205 4.94936 4.925638 4.900673 4.874324 4.846432 4.816803 4.785207 4.751363 4.714928 4.675471 4.632446 4.585142 4.532613 4.473561 4.406132 4.327549 4.233379 4.115867 3.95949 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.42404e-10 6.926602e-10 6.61831e-10 6.394319e-10 6.218289000000001e-10 6.073261e-10 5.949932e-10 5.842646e-10 5.747706000000001e-10 5.662561000000001e-10 5.585378e-10 5.514795000000001e-10 5.44977e-10 5.389493e-10 5.333316000000001e-10 5.280718000000001e-10 5.231269000000001e-10 5.184614e-10 5.140454e-10 5.098535e-10 5.058641e-10 5.020585e-10 4.984205000000001e-10 4.94936e-10 4.925638000000001e-10 4.900673e-10 4.874324e-10 4.846432e-10 4.816803e-10 4.785207e-10 4.751362999999999e-10 4.714928e-10 4.675471e-10 4.632446e-10 4.5851420000000005e-10 4.532613e-10 4.4735610000000004e-10 4.4061320000000003e-10 4.3275490000000004e-10 4.2333790000000006e-10 4.115867e-10 3.9594900000000006e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.342669 0.562671 0.754468 0.923184 1.07167 1.20196 1.31597 1.41604 1.50442 1.58281 1.6524 1.71405 1.76845 1.81622 1.8579 1.89395 1.92484 1.95091 1.9725 1.98985 2.00318 2.01259 2.01817 2.02 2.01911 2.01617 2.01074 2.00224 1.98999 1.97287 1.94946 1.91797 1.87589 1.81973 1.74442 1.64238 1.50177 1.30309 1.01215 0.563851 -0.180939 -1.58018 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.490162604729152e-20 9.014983214021568e-20 1.2087909907417345e-19 1.4791038214966273e-19 1.7170046192127358e-19 1.925752211136768e-19 2.1084163676741763e-19 2.268746182117632e-19 2.410346551863936e-19 2.5359411771684484e-19 2.6474366482099202e-19 2.74621083688224e-19 2.83336924505376e-19 2.9099052222293763e-19 2.9766839437843203e-19 3.03444241096416e-19 3.0839336467806724e-19 3.125702391284928e-19 3.160293384528e-19 3.18809114889888e-19 3.209448163254144e-19 3.224524645255872e-19 3.233464790799936e-19 3.236396774016e-19 3.234970836823488e-19 3.230260437558336e-19 3.2215606185073924e-19 3.207942117230592e-19 3.1883154536257922e-19 3.160886189877696e-19 3.1233792351847683e-19 3.072926693395776e-19 3.005507101192512e-19 2.9155288621683843e-19 2.7948689408559365e-19 2.6313828384695043e-19 2.406100783818816e-19 2.0877803327982723e-19 1.6216430667427202e-19 9.033888898147009e-20 -2.898962355909312e-20 -2.531727452655744e-19 ] } }