{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.31191 8.687978 8.301289 8.02034 7.799547 7.617639 7.462949 7.328381 7.209299 7.102502 7.005693 6.91716 6.835601 6.759995 6.689533 6.62356 6.561536 6.503017 6.447627 6.395049 6.34501 6.297276 6.251646 6.20794 6.178186 6.146871 6.113823 6.078838 6.041674 6.002043 5.959593 5.913893 5.864402 5.810436 5.751103 5.685216 5.611147 5.526571 5.428005 5.309888 5.162493 4.96635 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.31191e-10 8.687978e-10 8.301289000000001e-10 8.020339999999999e-10 7.799547e-10 7.617639e-10 7.462949e-10 7.328381e-10 7.209299e-10 7.102502000000001e-10 7.005693e-10 6.91716e-10 6.835601e-10 6.759995e-10 6.689533000000001e-10 6.62356e-10 6.561536000000001e-10 6.503017e-10 6.447627e-10 6.395049e-10 6.34501e-10 6.297276e-10 6.251646000000001e-10 6.20794e-10 6.178186e-10 6.146871e-10 6.113823e-10 6.078838e-10 6.041674000000001e-10 6.002043e-10 5.959593000000001e-10 5.913893e-10 5.864402000000001e-10 5.810436e-10 5.751103e-10 5.685216e-10 5.611147e-10 5.526571e-10 5.428005e-10 5.309888e-10 5.162493e-10 4.96635e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.601149 0.867368 1.16889 1.40014 1.57499 1.73879 1.89358 2.03522 2.16102 2.27347 2.37137 2.45284 2.51786 2.56763 2.60517 2.63309 2.6552 2.67638 2.69565 2.71217 2.72538 2.73487 2.74041 2.74211 2.74136 2.739 2.73487 2.7288 2.72058 2.70996 2.69666 2.68028 2.66058 2.64334 2.62821 2.61015 2.58127 2.52914 2.45183 2.33585 2.12525 1.58998 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.631468734172993e-20 1.3896767312300545e-19 1.8727682302869121e-19 2.243271573846912e-19 2.523412155993792e-19 2.785848686480832e-19 3.033849605614464e-19 3.260781902184576e-19 3.4623357210812165e-19 3.6425004820901763e-19 3.7993535732664966e-19 3.929882902563072e-19 4.0340564264474885e-19 4.113796756864704e-19 4.1739424672095367e-19 4.2186752384622725e-19 4.25409936354816e-19 4.288033464376704e-19 4.3189074078595202e-19 4.345375365635136e-19 4.366540118795904e-19 4.381744774927296e-19 4.390620833406528e-19 4.393344533661888e-19 4.392142901196288e-19 4.3883617643712e-19 4.381744774927296e-19 4.37201956283904e-19 4.358849671016064e-19 4.341834555303168e-19 4.320525606246528e-19 4.2942819531978244e-19 4.262719073768064e-19 4.235097548825472e-19 4.2108566165527684e-19 4.1819213067811204e-19 4.135650445972416e-19 4.052128978730112e-19 3.9282647041760643e-19 3.7424442596956804e-19 3.4050258633552e-19 2.547428783539584e-19 ] } }