{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.83308 7.308234 6.982955 6.746623 6.560895 6.407875 6.277751 6.164554 6.064383 5.974547 5.893112 5.818639 5.750032 5.686433 5.627162 5.571665 5.519492 5.470266 5.423673 5.379444 5.337352 5.297199 5.258815 5.22205 5.184883 5.146581 5.107075 5.066285 5.024126 4.980501 4.935306 4.888424 4.839723 4.789056 4.736259 4.681144 4.623498 4.563078 4.499603 4.432747 4.36213 4.287304 4.207735 4.122781 4.031658 3.933402 3.826799 3.710299 3.581874 3.438802 3.277306 3.091929 2.874362 2.61103 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83308e-10 7.308234e-10 6.982955e-10 6.746623e-10 6.560895000000001e-10 6.407875e-10 6.277751000000001e-10 6.164554e-10 6.064383e-10 5.974547000000001e-10 5.893112000000001e-10 5.818639e-10 5.750032000000001e-10 5.686433e-10 5.627162e-10 5.571665000000001e-10 5.519492e-10 5.470266e-10 5.423673e-10 5.379444000000001e-10 5.337352e-10 5.297199e-10 5.258815e-10 5.222050000000001e-10 5.184883e-10 5.146581000000001e-10 5.107075e-10 5.066285e-10 5.024126e-10 4.980501000000001e-10 4.935306e-10 4.888424e-10 4.839723e-10 4.789056000000001e-10 4.736259000000001e-10 4.681144e-10 4.623498e-10 4.563078e-10 4.4996029999999996e-10 4.432747e-10 4.3621299999999996e-10 4.287304e-10 4.2077349999999996e-10 4.122781e-10 4.031658e-10 3.933402e-10 3.826799e-10 3.7102990000000003e-10 3.5818740000000003e-10 3.438802e-10 3.277306e-10 3.091929e-10 2.874362e-10 2.61103e-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" [ 0.834532 1.20996 1.48936 1.71983 1.92012 2.09529 2.24735 2.37798 2.48935 2.58425 2.66524 2.73444 2.79351 2.84379 2.88633 2.92203 2.95163 2.97576 2.99501 3.00985 3.02074 3.02809 3.03225 3.03357 3.03221 3.0279 3.02027 3.00886 2.99315 2.97251 2.94622 2.91345 2.8733 2.82477 2.76684 2.69856 2.6193 2.52906 2.42848 2.31869 2.20031 2.07267 1.93275 1.77364 1.5839 1.33948 0.987678 0.432882 -0.501532 -2.15197 -5.17295 -10.9129 -22.0953 -39.3626 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.337067670725288e-19 1.9385696400746398e-19 2.38621779161424e-19 2.75547144045222e-19 3.07637139847608e-19 3.3570246794538597e-19 3.6006516584198997e-19 3.80994399211932e-19 3.9883784038479e-19 4.1404249664144995e-19 4.2701852520021597e-19 4.38105587507496e-19 4.475696448845339e-19 4.556253890002859e-19 4.62441048401322e-19 4.681608189847019e-19 4.72903261821342e-19 4.76769314039184e-19 4.79853504059634e-19 4.8223113418449e-19 4.83975904538916e-19 4.85153504364906e-19 4.8582000984465e-19 4.86031497160338e-19 4.85813601138114e-19 4.851230630088599e-19 4.83900602237118e-19 4.820725186977239e-19 4.7955549920571e-19 4.76248606633134e-19 4.72036484262348e-19 4.667861514327299e-19 4.603534122472199e-19 4.52578049042418e-19 4.43296639801656e-19 4.3235697774470396e-19 4.1965812574361994e-19 4.0520008379840395e-19 3.89085391213632e-19 3.71495093948946e-19 3.52528526955654e-19 3.32078344399278e-19 3.0966068893635e-19 2.84168456512776e-19 2.5376875705926e-19 2.1460835577103198e-19 1.5824346135158518e-19 6.93553425679188e-20 -8.035428516032879e-20 -3.4478360510689794e-19 -8.2879796188503e-19 -1.74843933891786e-18 -3.54005733812202e-18 -6.30658379734884e-18 ] } }