{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.3505 4.991997 4.769811 4.608381 4.481516 4.376994 4.288111 4.210791 4.142367 4.081004 4.025378 3.974508 3.927645 3.884204 3.843717 3.80581 3.770172 3.736547 3.704721 3.67451 3.645758 3.618332 3.592113 3.567 3.541612 3.51545 3.488464 3.460602 3.431804 3.402006 3.371135 3.339111 3.305845 3.271236 3.235172 3.197525 3.158149 3.116878 3.07352 3.027854 2.979618 2.928507 2.874156 2.816126 2.753883 2.686768 2.613951 2.534374 2.446651 2.348923 2.23861 2.111986 1.963374 1.7835 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3505e-10 4.991997e-10 4.769811e-10 4.608381e-10 4.4815160000000004e-10 4.376994e-10 4.288111e-10 4.2107910000000003e-10 4.1423670000000004e-10 4.0810040000000004e-10 4.025378e-10 3.974508e-10 3.9276450000000003e-10 3.884204e-10 3.843717e-10 3.8058100000000005e-10 3.7701720000000005e-10 3.736547e-10 3.704721e-10 3.67451e-10 3.645758e-10 3.618332e-10 3.592113e-10 3.567e-10 3.541612e-10 3.51545e-10 3.4884640000000003e-10 3.4606020000000006e-10 3.431804e-10 3.402006e-10 3.371135e-10 3.3391110000000003e-10 3.3058450000000005e-10 3.271236e-10 3.235172e-10 3.1975250000000003e-10 3.158149e-10 3.116878e-10 3.07352e-10 3.0278540000000003e-10 2.979618e-10 2.9285070000000004e-10 2.874156e-10 2.816126e-10 2.753883e-10 2.686768e-10 2.6139510000000004e-10 2.534374e-10 2.4466510000000003e-10 2.348923e-10 2.23861e-10 2.111986e-10 1.9633740000000002e-10 1.7835e-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" [ 2.6312 3.52244 4.16823 4.67535 5.08997 5.43716 5.73235 5.98587 6.20503 6.39522 6.56057 6.70433 6.82908 6.93694 7.02968 7.10876 7.17545 7.23081 7.27578 7.31116 7.33768 7.35596 7.36657 7.37 7.36634 7.3546 7.33344 7.30134 7.25647 7.19667 7.11938 7.02152 6.89941 6.74858 6.56361 6.33786 6.06312 5.72919 5.32324 4.82905 4.22578 3.48639 2.57535 1.44512 0.0311088 -1.75649 -4.04881 -7.04889 -11.089 -16.7476 -25.108 -38.3802 -61.5542 -107.35 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2156471593808e-19 5.64357106266696e-19 6.67824071113782e-19 7.490736525771899e-19 8.15503100176098e-19 8.711290707319441e-19 9.1842372279099e-19 9.59042104816158e-19 9.94155407926902e-19 1.024627205328948e-18 1.051119195972138e-18 1.0741520872625218e-18 1.094139240771672e-18 1.111420317945996e-18 1.126278904049712e-18 1.1389489168713839e-18 1.1496338328435298e-18 1.1585034826893538e-18 1.1657084710124519e-18 1.171376971943544e-18 1.175625944376912e-18 1.1785547232638638e-18 1.180254632672538e-18 1.180804179258e-18 1.1802177826099559e-18 1.17833682724164e-18 1.174946621484096e-18 1.1698036344889558e-18 1.162614667932198e-18 1.1530336516608779e-18 1.1406504284566918e-18 1.1249715279163679e-18 1.105407349038594e-18 1.081241718867972e-18 1.0516062576688738e-18 1.015437120156324e-18 9.71418919313808e-19 9.17917434974646e-19 8.52877074517416e-19 7.736991074417699e-19 6.77044597642452e-19 5.58581259501126e-19 4.1261655943718993e-19 2.31533749732608e-19 4.98417924717792e-21 -2.81420723585466e-19 -6.486908777505539e-19 -1.129356685363626e-18 -1.7766536694426e-18 -2.6832613395578396e-18 -4.0227450926471995e-18 -6.14918596482468e-18 -9.86207009645628e-18 -1.7199366165989997e-17 ] } }