{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.00033 7.464278 7.132054 6.890676 6.700981 6.544695 6.411792 6.296178 6.193869 6.102114 6.01894 5.942877 5.872805 5.807849 5.747312 5.69063 5.637343 5.587066 5.539478 5.494305 5.451314 5.410303 5.3711 5.33355 5.295589 5.25647 5.21612 5.174459 5.131399 5.086843 5.040683 4.992799 4.943058 4.891309 4.837385 4.781092 4.722216 4.660505 4.595674 4.527391 4.455266 4.378842 4.297574 4.210805 4.117737 4.017382 3.908503 3.789515 3.658347 3.51222 3.347274 3.157938 2.935726 2.66677 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.00033e-10 7.464278e-10 7.132054e-10 6.890676e-10 6.700981e-10 6.544695000000001e-10 6.411792e-10 6.296178000000001e-10 6.193869e-10 6.102114e-10 6.01894e-10 5.942877e-10 5.872805e-10 5.807849e-10 5.747312e-10 5.69063e-10 5.637343000000001e-10 5.587066e-10 5.539478000000001e-10 5.494305e-10 5.451314e-10 5.410303e-10 5.3711e-10 5.33355e-10 5.295588999999999e-10 5.25647e-10 5.21612e-10 5.174458999999999e-10 5.131399e-10 5.086843e-10 5.040683e-10 4.992799e-10 4.943058e-10 4.891309e-10 4.837385000000001e-10 4.781092000000001e-10 4.722216e-10 4.660505e-10 4.595674e-10 4.527391e-10 4.455266e-10 4.378842e-10 4.297574e-10 4.2108049999999996e-10 4.117737e-10 4.017382e-10 3.9085030000000004e-10 3.7895150000000003e-10 3.658347e-10 3.51222e-10 3.3472740000000004e-10 3.157938e-10 2.935726e-10 2.6667700000000003e-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" [ 1.44501 1.7451 1.91928 2.04088 2.1436 2.23735 2.32111 2.39069 2.44517 2.48519 2.51262 2.5297 2.53965 2.54568 2.54996 2.5537 2.55747 2.56157 2.56573 2.56959 2.57288 2.57543 2.5771 2.57773 2.5769 2.5739 2.56789 2.55622 2.49859 2.30884 1.89202 1.20195 0.210968 -1.11229 -2.80352 -4.90378 -7.46018 -10.5278 -14.1706 -18.4649 -23.5042 -29.4022 -36.2987 -44.3687 -53.839 -65.0006 -78.2464 -94.1336 -113.514 -137.945 -170.751 -220.467 -335.387 -693 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.31516125789634e-19 2.7959584439934e-19 3.07502557010352e-19 3.2698502487979196e-19 3.4344258326424e-19 3.5846298920799e-19 3.7188282069437396e-19 3.83030765713746e-19 3.91759424015778e-19 3.9817133490504593e-19 4.0256610541210797e-19 4.0530262310298e-19 4.0689678885380996e-19 4.0786290136411195e-19 4.0854863296346396e-19 4.0914784702458e-19 4.0975186761559794e-19 4.10408760035538e-19 4.1107526551528193e-19 4.1169370569600594e-19 4.1222082180859196e-19 4.1262937685026197e-19 4.1289694034814e-19 4.1299787747608196e-19 4.1286489681546e-19 4.1238424382525997e-19 4.114213356682259e-19 4.09551595536348e-19 4.00318251594606e-19 3.6991694996445597e-19 3.03135023506068e-19 1.9257362052363e-19 3.3800800012171197e-20 -1.7820850482318598e-19 -4.491734236951679e-19 -7.8567217342765195e-19 -1.195252608143412e-18 -1.6867395167425198e-18 -2.27038042097604e-18 -2.9584031329146598e-18 -3.7657880040862796e-18 -4.71075178281948e-18 -5.8156928984575794e-18 -7.10864944209558e-18 -8.625958779792598e-18 -1.041424425159804e-17 -1.2536455377461759e-17 -1.508186543943024e-17 -1.81869478431876e-17 -2.2101225577713e-17 -2.73573262432134e-17 -3.53227075968078e-17 -5.37349214747358e-17 -1.110308407362e-16 ] } }