{ "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" [ "Fe" ] } "a" { "source-value" [ 3.36321 3.137863 2.998201 2.89673 2.816985 2.751285 2.695415 2.646813 2.603804 2.565232 2.530267 2.498291 2.468834 2.441527 2.416078 2.392251 2.369849 2.348714 2.328709 2.309719 2.291646 2.274406 2.257925 2.24214 2.226182 2.209737 2.192774 2.175261 2.157159 2.138428 2.119023 2.098894 2.077984 2.056229 2.03356 2.009896 1.985145 1.959203 1.931949 1.903244 1.872924 1.840797 1.806633 1.770157 1.731032 1.688845 1.643074 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.36321e-10 3.137863e-10 2.998201e-10 2.8967299999999997e-10 2.816985e-10 2.7512850000000005e-10 2.6954150000000005e-10 2.646813e-10 2.603804e-10 2.565232e-10 2.530267e-10 2.4982910000000003e-10 2.4688340000000003e-10 2.441527e-10 2.4160780000000003e-10 2.392251e-10 2.369849e-10 2.348714e-10 2.328709e-10 2.309719e-10 2.291646e-10 2.274406e-10 2.2579250000000002e-10 2.24214e-10 2.2261820000000002e-10 2.209737e-10 2.1927740000000002e-10 2.175261e-10 2.1571590000000002e-10 2.1384280000000002e-10 2.119023e-10 2.098894e-10 2.077984e-10 2.056229e-10 2.03356e-10 2.009896e-10 1.985145e-10 1.959203e-10 1.931949e-10 1.903244e-10 1.8729240000000002e-10 1.840797e-10 1.806633e-10 1.770157e-10 1.731032e-10 1.688845e-10 1.643074e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.31092 1.93474 2.35593 2.63133 2.82404 2.96346 3.06327 3.13285 3.1812 3.21597 3.24168 3.26054 3.27455 3.28641 3.29812 3.31086 3.32503 3.34055 3.35734 3.37477 3.39125 3.405 3.41421 3.41751 3.41353 3.39978 3.37327 3.33147 3.27268 3.19511 3.09688 2.97695 2.83582 2.67464 2.49519 2.30005 2.08642 1.82602 1.50499 1.10802 0.614605 -0.00752861 -0.809846 -1.87992 -3.34581 -5.37063 -8.19215 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.10032539304328e-19 3.0997952208651595e-19 3.7746159973396197e-19 4.21585544234322e-19 4.52461090148136e-19 4.747986367793639e-19 4.90789961763318e-19 5.019379067826899e-19 5.0968443080808e-19 5.15255198964498e-19 5.19374395090512e-19 5.22396100222236e-19 5.2464074968647e-19 5.265409311743939e-19 5.28417080012808e-19 5.30458253044524e-19 5.327285373349019e-19 5.352151154708699e-19 5.37905170039356e-19 5.406977639124179e-19 5.433381510052499e-19 5.455411438769999e-19 5.4701674855691395e-19 5.47545466846134e-19 5.46907800545802e-19 5.44704807674052e-19 5.40457437417318e-19 5.33760339087198e-19 5.243411426559119e-19 5.11913058505974e-19 4.96174877430192e-19 4.7695997305863e-19 4.54348454222988e-19 4.28524571236176e-19 3.9977351153904596e-19 3.6850863670317e-19 3.34281337271028e-19 2.9256065772166796e-19 2.4112598124036597e-19 1.77524375400468e-19 9.847057701395699e-20 -1.2062163028498739e-21 -1.2975163383383638e-19 -3.01196389778928e-19 -5.36057860380354e-19 -8.604697895859419e-19 -1.3125271312223099e-18 ] } }