{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.39776 4.103094 3.920472 3.787787 3.683512 3.597602 3.524546 3.460994 3.404754 3.354317 3.308597 3.266785 3.228267 3.192561 3.159283 3.128126 3.098834 3.071197 3.045038 3.020206 2.996574 2.974031 2.952481 2.93184 2.910973 2.889469 2.867289 2.844388 2.820718 2.796226 2.770852 2.74453 2.717188 2.688742 2.6591 2.628156 2.595791 2.561869 2.526232 2.488697 2.44905 2.40704 2.362367 2.314671 2.263512 2.208347 2.148496 2.083089 2.010987 1.930661 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.39776e-10 4.1030939999999997e-10 3.9204720000000004e-10 3.787787e-10 3.683512e-10 3.597602e-10 3.5245460000000003e-10 3.460994e-10 3.4047540000000003e-10 3.354317e-10 3.308597e-10 3.2667850000000004e-10 3.2282670000000004e-10 3.192561e-10 3.159283e-10 3.1281260000000003e-10 3.098834e-10 3.0711970000000003e-10 3.045038e-10 3.020206e-10 2.996574e-10 2.9740310000000003e-10 2.952481e-10 2.93184e-10 2.910973e-10 2.889469e-10 2.867289e-10 2.844388e-10 2.820718e-10 2.796226e-10 2.7708520000000004e-10 2.7445300000000004e-10 2.7171880000000005e-10 2.688742e-10 2.6591e-10 2.628156e-10 2.595791e-10 2.561869e-10 2.526232e-10 2.4886970000000005e-10 2.4490500000000005e-10 2.40704e-10 2.362367e-10 2.3146710000000004e-10 2.263512e-10 2.208347e-10 2.1484960000000001e-10 2.0830890000000004e-10 2.010987e-10 1.930661e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755331 1.21688 1.55036 1.81331 2.03293 2.22383 2.39244 2.54199 2.67486 2.79339 2.89985 2.99617 3.08358 3.16263 3.23329 3.29529 3.34849 3.39294 3.42896 3.45705 3.4778 3.49182 3.49976 3.50224 3.49971 3.49191 3.47857 3.45954 3.43489 3.40498 3.37028 3.32899 3.2794 3.21905 3.14418 3.04946 2.92782 2.77028 2.56551 2.29917 1.95294 1.50295 0.917811 0.155885 -0.839569 -2.15099 -3.90465 -6.29522 -9.65122 -14.5983 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.210173679135854e-19 1.9496567023819198e-19 2.4839505662882396e-19 2.90524291219854e-19 3.2571129445576195e-19 3.5629684639882196e-19 3.83311146624696e-19 4.07271698186166e-19 4.285598191221239e-19 4.475504187649259e-19 4.6460719121049e-19 4.80039356549178e-19 4.94043982506972e-19 5.06709188798742e-19 5.18030168894586e-19 5.27963664025386e-19 5.36487243718266e-19 5.436089188563959e-19 5.49379959092064e-19 5.5388047325697e-19 5.572049897725199e-19 5.59451241413388e-19 5.60723369660784e-19 5.61120709466016e-19 5.607153587776139e-19 5.594656610030939e-19 5.57328357373338e-19 5.54279415238836e-19 5.50330049836026e-19 5.45537939523732e-19 5.39978386603752e-19 5.33362999281966e-19 5.2541780535396e-19 5.1574866936777e-19 5.037531729090119e-19 4.885773558317639e-19 4.69088479255788e-19 4.43847788563752e-19 4.11040017629334e-19 3.68367645159378e-19 3.1289548356039596e-19 2.4079913720703e-19 1.470495338628174e-19 2.4975530459108997e-20 -1.345137834430746e-19 -3.44626591796766e-19 -6.2559389939481e-19 -1.008605438988948e-18 -1.546295917359348e-18 -2.3389055156122198e-18 ] } }