{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14063 7.595178 7.257129 7.011519 6.818498 6.659471 6.524239 6.406597 6.302494 6.209131 6.124498 6.047102 5.975801 5.909705 5.848107 5.790431 5.73621 5.685051 5.636628 5.590663 5.546918 5.505189 5.465298 5.42709 5.388463 5.348658 5.3076 5.265209 5.221393 5.176056 5.129086 5.080363 5.029749 4.977093 4.922223 4.864943 4.805034 4.742241 4.676273 4.606792 4.533403 4.455639 4.372945 4.284654 4.189954 4.087839 3.97705 3.855976 3.722508 3.573817 3.405979 3.213323 2.987213 2.71354 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14063e-10 7.595178e-10 7.257129000000001e-10 7.011519e-10 6.818498e-10 6.659471e-10 6.524239e-10 6.406596999999999e-10 6.302494000000001e-10 6.209131e-10 6.124498e-10 6.047102e-10 5.975800999999999e-10 5.909705e-10 5.848107e-10 5.790431000000001e-10 5.73621e-10 5.685051e-10 5.636628000000001e-10 5.590663000000001e-10 5.546918e-10 5.505188999999999e-10 5.465298e-10 5.42709e-10 5.388463e-10 5.348658e-10 5.3076e-10 5.265208999999999e-10 5.221393e-10 5.176056e-10 5.129086e-10 5.080363e-10 5.029749e-10 4.977093e-10 4.922223e-10 4.864943000000001e-10 4.805034e-10 4.742241e-10 4.676273e-10 4.6067920000000006e-10 4.533403e-10 4.4556389999999996e-10 4.372945e-10 4.284654e-10 4.1899540000000003e-10 4.087839e-10 3.97705e-10 3.855976e-10 3.7225080000000003e-10 3.5738170000000004e-10 3.405979e-10 3.213323e-10 2.9872130000000003e-10 2.7135400000000003e-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" [ 1.37665 1.93176 2.3512 2.68991 2.97274 3.21362 3.42135 3.60194 3.75973 3.89797 4.0192 4.12542 4.21826 4.29907 4.36898 4.42893 4.47976 4.52217 4.55679 4.58415 4.60475 4.619 4.6273 4.63 4.62711 4.61781 4.60099 4.57537 4.5394 4.49126 4.42875 4.34926 4.24958 4.12586 3.97334 3.78617 3.5571 3.27702 2.93443 2.51461 1.9986 1.36153 0.570432 -0.419118 -1.6681 -3.26202 -5.32349 -8.03347 -11.668 -16.6651 -23.7543 -34.2278 -50.5618 -78.0375 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2056364631961e-19 3.0950207344958395e-19 3.7670377018608e-19 4.3097109495629396e-19 4.762854566957159e-19 5.14878687455508e-19 5.4816070267359e-19 5.77094410506996e-19 6.02375155614882e-19 6.245236454032979e-19 6.439468327372799e-19 6.60965152943628e-19 6.75839760813684e-19 6.88786950193038e-19 6.999877670413319e-19 7.09592815962162e-19 7.177366797927839e-19 7.245315108975779e-19 7.30078246404486e-19 7.3446180167510995e-19 7.3776228554115e-19 7.400453872445999e-19 7.4137519385082e-19 7.418077815419999e-19 7.413447524947739e-19 7.39854728225154e-19 7.37159867126766e-19 7.33055090590458e-19 7.272920612379599e-19 7.195791829218839e-19 7.0956397678275e-19 6.96828274719084e-19 6.808577780313719e-19 6.61035648715524e-19 6.365992506937559e-19 6.06611310635178e-19 5.6991025048014e-19 5.250364873150679e-19 4.70147518010862e-19 4.0288493856227394e-19 3.2021102207124e-19 2.1814115524900196e-19 9.13932821685888e-20 -6.715010664888119e-20 -2.6725908431754e-19 -5.226332223640679e-19 -8.529171289332659e-19 -1.2871037923939978e-18 -1.8694196965512e-18 -2.6700433823273398e-18 -3.80585844170262e-18 -5.48389813932252e-18 -8.10089345329812e-18 -1.2502985907577498e-17 ] } }