{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Si" ] } "a" { "source-value" [ 3.74024 3.489629 3.334311 3.221464 3.13278 3.059714 2.997581 2.94353 2.895699 2.852803 2.813918 2.778358 2.745598 2.71523 2.686928 2.660429 2.635517 2.612012 2.589763 2.568645 2.548546 2.529373 2.511045 2.49349 2.475743 2.457454 2.43859 2.419113 2.398982 2.378152 2.356571 2.334185 2.31093 2.286737 2.261527 2.23521 2.207684 2.178834 2.148525 2.116601 2.082882 2.047153 2.009159 1.968594 1.925083 1.878167 1.827264 1.771636 1.710314 1.641997 1.564883 1.476367 1.37248 1.24674 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.74024e-10 3.489629e-10 3.334311e-10 3.221464e-10 3.13278e-10 3.059714e-10 2.9975809999999997e-10 2.94353e-10 2.8956990000000003e-10 2.852803e-10 2.813918e-10 2.778358e-10 2.745598e-10 2.7152300000000004e-10 2.686928e-10 2.6604290000000004e-10 2.635517e-10 2.612012e-10 2.5897630000000003e-10 2.568645e-10 2.548546e-10 2.529373e-10 2.5110450000000003e-10 2.49349e-10 2.4757430000000003e-10 2.457454e-10 2.43859e-10 2.419113e-10 2.398982e-10 2.3781520000000003e-10 2.3565710000000005e-10 2.3341850000000005e-10 2.31093e-10 2.2867370000000001e-10 2.2615270000000002e-10 2.23521e-10 2.207684e-10 2.1788340000000003e-10 2.1485249999999998e-10 2.1166010000000003e-10 2.0828820000000003e-10 2.047153e-10 2.009159e-10 1.968594e-10 1.9250830000000002e-10 1.878167e-10 1.8272640000000001e-10 1.771636e-10 1.7103139999999998e-10 1.641997e-10 1.5648830000000002e-10 1.476367e-10 1.37248e-10 1.24674e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0.0299094 0.682106 1.82262 2.77528 3.33469 3.59338 3.69517 3.73997 3.77887 3.83018 3.89424 3.96297 4.02528 4.07038 4.09535 4.10308 4.09536 4.07165 4.03103 3.97251 3.89503 3.79737 3.67822 3.5361 3.36937 3.17615 2.95433 2.70146 2.41474 2.0909 1.72604 1.31556 0.853913 0.357052 -1.04306 -8.25941 -17.5687 -23.8874 -28.143 -31.6927 -35.4053 -41.11 -53.1965 -63.5965 -78.4024 -106.361 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.7920141816959595e-21 1.092854295111204e-19 2.9201591766610796e-19 4.44648876880752e-19 5.34276239963346e-19 5.75722947308292e-19 5.92031503265778e-19 5.992092545860979e-19 6.054417216923579e-19 6.13662490001412e-19 6.239260335188159e-19 6.349377935242979e-19 6.44920956130752e-19 6.521467727500919e-19 6.561474078051899e-19 6.57385890343272e-19 6.56149009981824e-19 6.523502491826099e-19 6.45842207695302e-19 6.36466270033134e-19 6.24052605472902e-19 6.08405748465258e-19 5.89315813871148e-19 5.665456795487399e-19 5.398325885300579e-19 5.0887533160790995e-19 4.73335849512522e-19 4.3282160896856396e-19 3.86884000518516e-19 3.3499911240306e-19 2.76542095734936e-19 2.10775949262504e-19 1.368119456068842e-19 5.720603715229679e-20 -1.67116635986004e-19 -1.323303371262594e-18 -2.8148160629755797e-18 -3.82718341270116e-18 -4.5090057010661996e-18 -5.07773034083718e-18 -5.672554437976019e-18 -6.586548142374e-18 -8.523018931058099e-18 -1.01892826304181e-17 -1.256144933295216e-17 -1.70409108968874e-17 ] } }