{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.31331 4.024302 3.845187 3.71505 3.612778 3.528518 3.456864 3.394532 3.339373 3.289904 3.245062 3.204053 3.166275 3.131254 3.098616 3.068057 3.039327 3.012221 2.986564 2.962209 2.939031 2.916921 2.895785 2.87554 2.861758 2.847253 2.831945 2.815739 2.798525 2.780168 2.760505 2.739336 2.716412 2.691414 2.663931 2.633412 2.599103 2.559927 2.514271 2.459558 2.391284 2.30043 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3133100000000006e-10 4.024302e-10 3.8451870000000003e-10 3.7150500000000005e-10 3.6127780000000004e-10 3.5285180000000003e-10 3.456864e-10 3.394532e-10 3.339373e-10 3.289904e-10 3.245062e-10 3.2040530000000004e-10 3.1662750000000005e-10 3.131254e-10 3.098616e-10 3.068057e-10 3.0393270000000004e-10 3.012221e-10 2.986564e-10 2.962209e-10 2.939031e-10 2.916921e-10 2.8957850000000004e-10 2.87554e-10 2.861758e-10 2.847253e-10 2.831945e-10 2.8157390000000004e-10 2.7985250000000004e-10 2.7801680000000005e-10 2.7605050000000005e-10 2.739336e-10 2.716412e-10 2.691414e-10 2.663931e-10 2.633412e-10 2.5991030000000003e-10 2.559927e-10 2.514271e-10 2.459558e-10 2.3912840000000004e-10 2.3004300000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.931456 1.35521 1.69439 1.9802 2.22747 2.44446 2.63661 2.80772 2.96045 3.09688 3.21869 3.32721 3.42358 3.5087 3.58334 3.6482 3.70395 3.75108 3.79005 3.82121 3.84491 3.86149 3.87124 3.87443 3.87288 3.86778 3.85826 3.84323 3.8213 3.79066 3.74886 3.6927 3.61764 3.51731 3.38244 3.19917 2.94587 2.58704 2.06063 1.24839 -0.104641 -2.65641 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4923570265038848e-19 2.171285778274368e-19 2.7147120445173123e-19 3.17263014450816e-19 3.568800357533376e-19 3.916456662480768e-19 4.2243149001674886e-19 4.498463341752576e-19 4.74316377704736e-19 4.961748733423104e-19 5.156909867602752e-19 5.330778074491968e-19 5.485179835438464e-19 5.621557109400961e-19 5.741143572377473e-19 5.845060748002561e-19 5.93438209461216e-19 6.009892678750464e-19 6.07232950166304e-19 6.122253325167169e-19 6.160224911080129e-19 6.186788999452992e-19 6.202410221505792e-19 6.207521164926144e-19 6.205037791163904e-19 6.196866690397825e-19 6.181613968967809e-19 6.157533254357185e-19 6.12239752106304e-19 6.073306829401729e-19 6.006335846652288e-19 5.91635760762816e-19 5.796098230470913e-19 5.635351850106049e-19 5.419266289258752e-19 5.125635379964737e-19 4.719804041916097e-19 4.144895005074432e-19 3.3014932101191045e-19 2.0001412716405123e-19 -1.676533637771328e-20 -4.2560379972593284e-19 ] } }