{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.48754 5.119855 4.891978 4.726413 4.596299 4.4891 4.397941 4.31864 4.248464 4.185529 4.128478 4.076306 4.028242 3.983688 3.942165 3.903286 3.866736 3.83225 3.799608 3.768624 3.739136 3.711006 3.684116 3.65836 3.632322 3.60549 3.577813 3.549237 3.519702 3.48914 3.457478 3.424634 3.390516 3.355021 3.318033 3.279422 3.239038 3.196709 3.152241 3.105405 3.055933 3.003513 2.94777 2.888254 2.824417 2.755583 2.680901 2.599286 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48754e-10 5.119855e-10 4.891978e-10 4.726413e-10 4.596299e-10 4.4891e-10 4.3979410000000005e-10 4.3186400000000003e-10 4.2484640000000003e-10 4.185529e-10 4.1284780000000005e-10 4.076306e-10 4.028242e-10 3.983688e-10 3.9421650000000003e-10 3.903286e-10 3.8667360000000003e-10 3.8322500000000004e-10 3.7996080000000005e-10 3.768624e-10 3.739136e-10 3.711006e-10 3.684116e-10 3.65836e-10 3.6323219999999997e-10 3.60549e-10 3.577813e-10 3.5492370000000004e-10 3.5197020000000004e-10 3.48914e-10 3.4574780000000004e-10 3.424634e-10 3.390516e-10 3.355021e-10 3.318033e-10 3.279422e-10 3.239038e-10 3.1967089999999997e-10 3.1522410000000004e-10 3.1054050000000005e-10 3.055933e-10 3.003513e-10 2.9477699999999996e-10 2.888254e-10 2.824417e-10 2.755583e-10 2.680901e-10 2.599286e-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" [ 0.638647 1.21262 1.58471 1.92787 2.27061 2.59217 2.87143 3.10439 3.29334 3.44344 3.56337 3.6601 3.7386 3.80251 3.85458 3.89663 3.9298 3.95506 3.97333 3.98588 3.99405 3.9989 4.0013 4.00204 4.00108 3.9976 3.99066 3.97913 3.96171 3.93771 3.90715 3.87012 3.82655 3.77521 3.71343 3.63771 3.54236 3.41488 3.23267 2.96595 2.58485 2.0776 1.44646 0.719402 -0.0541801 -0.962968 -2.17532 -3.876 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0232253007741979e-19 1.9428314299210798e-19 2.53898533366614e-19 3.0887882673895796e-19 3.6379182869267398e-19 4.1531142053557793e-19 4.60053805216662e-19 4.97378112082326e-19 5.27651239581756e-19 5.516999108580959e-19 5.709148152296579e-19 5.8641266981034e-19 5.989897563872399e-19 6.09229267255134e-19 6.17571800988372e-19 6.24308953734342e-19 6.2962337362931995e-19 6.33670471806804e-19 6.365976485171219e-19 6.38608380192792e-19 6.3991735850277e-19 6.4069441417026e-19 6.410789365624199e-19 6.41197497633336e-19 6.41043688676472e-19 6.404861312078399e-19 6.39374220623844e-19 6.375269109648419e-19 6.34735919268414e-19 6.308906953468139e-19 6.2599444355331e-19 6.200615834776079e-19 6.1308089988327e-19 6.04855325044314e-19 5.949570777994619e-19 5.82825396326814e-19 5.675486421216239e-19 5.47124094391392e-19 5.17930833943278e-19 4.751975787612299e-19 4.1413862723948997e-19 3.3286821747983995e-19 2.31748441401564e-19 1.152609074852868e-19 -8.68060902477834e-21 -1.542844828889712e-19 -3.48524687547288e-19 -6.210036633383999e-19 ] } }