{ "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" [ "Al" ] } "a" { "source-value" [ 4.06318 3.790933 3.622205 3.499615 3.403274 3.3239 3.256402 3.197685 3.145724 3.099124 3.056882 3.018252 2.982664 2.949674 2.918929 2.890142 2.863079 2.837544 2.813375 2.790433 2.768599 2.747771 2.727861 2.70879 2.689511 2.669643 2.64915 2.627992 2.606122 2.583494 2.56005 2.535731 2.510469 2.484187 2.4568 2.428211 2.398309 2.366967 2.334042 2.299362 2.262732 2.223918 2.182644 2.138576 2.091309 2.040342 1.985045 1.924614 1.857997 1.783782 1.700011 1.603852 1.490996 1.3544 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.0631800000000003e-10 3.790933e-10 3.622205e-10 3.499615e-10 3.403274e-10 3.3239000000000003e-10 3.2564020000000004e-10 3.197685e-10 3.145724e-10 3.099124e-10 3.056882e-10 3.018252e-10 2.9826640000000004e-10 2.949674e-10 2.918929e-10 2.890142e-10 2.863079e-10 2.837544e-10 2.813375e-10 2.790433e-10 2.7685990000000003e-10 2.747771e-10 2.727861e-10 2.70879e-10 2.6895110000000003e-10 2.6696430000000005e-10 2.64915e-10 2.627992e-10 2.606122e-10 2.583494e-10 2.56005e-10 2.5357310000000004e-10 2.510469e-10 2.484187e-10 2.4567999999999997e-10 2.4282110000000004e-10 2.3983089999999996e-10 2.366967e-10 2.3340420000000004e-10 2.299362e-10 2.2627320000000002e-10 2.223918e-10 2.1826439999999999e-10 2.138576e-10 2.0913089999999998e-10 2.0403419999999999e-10 1.985045e-10 1.924614e-10 1.857997e-10 1.783782e-10 1.700011e-10 1.6038520000000002e-10 1.490996e-10 1.3544e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.17369 1.43831 1.67088 1.86643 2.02776 2.16023 2.27184 2.37221 2.46637 2.55448 2.63468 2.70582 2.76781 2.82127 2.86721 2.90674 2.9407 2.96934 2.99273 3.01104 3.02451 3.03348 3.03842 3.03994 3.03847 3.03405 3.02667 3.01623 3.00213 2.9832 2.9576 2.9229 2.87606 2.81333 2.73025 2.62142 2.48042 2.29967 2.07129 1.78825 1.4457 1.03997 0.554532 -0.0432586 -0.812478 -1.83284 -3.20532 -5.10158 -7.79762 -11.6859 -17.5164 -26.9053 -43.0295 -75.8834 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8804586935594597e-19 2.3044266744485397e-19 2.67704489421792e-19 2.99035053499662e-19 3.2488296913598394e-19 3.46107003006582e-19 3.63988896418656e-19 3.8006994329411396e-19 3.9515603847985797e-19 4.0927281680203195e-19 4.2212227340671194e-19 4.3352015798098797e-19 4.434520509351539e-19 4.52017287220518e-19 4.593776866771139e-19 4.65711090911316e-19 4.7115208276038e-19 4.75740716640156e-19 4.79488207787082e-19 4.82421793203936e-19 4.845799251299339e-19 4.86017077570632e-19 4.86808552827828e-19 4.87052083676196e-19 4.86816563710998e-19 4.8610840163877e-19 4.84925995282878e-19 4.83253322876982e-19 4.80994253823042e-19 4.7796133345488e-19 4.7385976127184e-19 4.683002083518599e-19 4.607956129982039e-19 4.50745158973122e-19 4.374342754978499e-19 4.19997787190028e-19 3.9740709665062797e-19 3.6844775399107794e-19 3.3185724402378595e-19 2.8650923657505e-19 2.3162667597738e-19 1.66621563406098e-19 8.88458213205288e-20 -6.930791813955239e-21 -1.3017332672390519e-19 -2.93653342186056e-19 -5.13548880849288e-19 -8.17363227248172e-19 -1.249316456481108e-18 -1.87228759272606e-18 -2.80643667917976e-18 -4.3107042990760195e-18 -6.894085947270299e-18 -1.2157861038847558e-17 ] } }