{ "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" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" [ 9.49614 8.859864 8.465525 8.179017 7.953856 7.768349 7.610598 7.473368 7.35193 7.243021 7.144296 7.054012 6.970838 6.893737 6.821881 6.754602 6.691352 6.631675 6.575189 6.52157 6.470541 6.421864 6.37533 6.33076 6.285701 6.239268 6.191374 6.141924 6.090813 6.037927 5.983136 5.9263 5.867259 5.805835 5.741828 5.675011 5.605126 5.531878 5.454926 5.373876 5.288266 5.197553 5.10109 4.998099 4.88763 4.768512 4.639276 4.498041 4.34235 4.168901 3.973116 3.748381 3.484622 3.16538 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.49614e-10 8.859864e-10 8.465525e-10 8.179017000000001e-10 7.953856e-10 7.768349e-10 7.610598000000001e-10 7.473368e-10 7.35193e-10 7.243021e-10 7.144296e-10 7.054012e-10 6.970838e-10 6.893737e-10 6.821881e-10 6.754602e-10 6.691352e-10 6.631675e-10 6.575189e-10 6.52157e-10 6.470541e-10 6.421864e-10 6.37533e-10 6.33076e-10 6.285701000000001e-10 6.239268e-10 6.191374e-10 6.141924000000001e-10 6.090813e-10 6.037927e-10 5.983136e-10 5.9263e-10 5.867259e-10 5.805835000000001e-10 5.741828e-10 5.675011e-10 5.605126000000001e-10 5.531878000000001e-10 5.454926e-10 5.373876e-10 5.288266000000001e-10 5.197553e-10 5.10109e-10 4.998099e-10 4.88763e-10 4.768512e-10 4.639276e-10 4.498041e-10 4.34235e-10 4.1689010000000003e-10 3.9731160000000004e-10 3.7483810000000004e-10 3.484622e-10 3.16538e-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 1.26409 1.40845 1.5256 1.62491 1.71079 1.78584 1.85186 1.91014 1.96164 2.00717 2.04733 2.08265 2.11357 2.14046 2.16362 2.18335 2.19987 2.21341 2.22415 2.23225 2.23788 2.24117 2.24224 2.24109 2.23738 2.23064 2.22036 2.20587 2.18644 2.16113 2.12884 2.08823 2.03766 1.97512 1.89811 1.80354 1.6875 1.54503 1.36978 1.15352 0.885412 0.551052 0.130924 -0.401885 -1.08526 -1.9738 -3.14854 -4.73368 -6.92751 -10.0624 -14.7308 -22.0771 -34.562 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.0252954612730597e-19 2.2565856801573e-19 2.4442806728304e-19 2.60339283435294e-19 2.7409877636808596e-19 2.86123112006256e-19 2.96700682143924e-19 3.0603816756687597e-19 3.14289377231976e-19 3.2158408744657795e-19 3.28018428808722e-19 3.3367731668001e-19 3.38631246832338e-19 3.42939499801164e-19 3.46650140885508e-19 3.4981123538439e-19 3.52458031183758e-19 3.54627378346194e-19 3.5634811605110997e-19 3.5764587912464997e-19 3.58547904569592e-19 3.5907502068217793e-19 3.5924645358201596e-19 3.5906220326910594e-19 3.5846779573789197e-19 3.57387928686576e-19 3.5574089110682396e-19 3.5341933716415797e-19 3.50306307964296e-19 3.46251198903642e-19 3.4107777055245595e-19 3.3457133124178197e-19 3.2646912400364394e-19 3.16449111334608e-19 3.0411074907617395e-19 2.88958964648436e-19 2.703673069875e-19 2.4754109648290196e-19 2.19462950972052e-19 1.84814279085168e-19 1.418586417863208e-19 8.828826385189679e-20 2.09763373629816e-20 -6.438907565550899e-20 -1.7387782138148397e-19 -3.1623762401892e-19 -5.04451721921436e-19 -7.584191488833119e-19 -1.1099094653801338e-18 -1.6121742161961599e-18 -2.36013435601272e-18 -3.53714137664814e-18 -5.537442882430799e-18 ] } }