{ "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" [ "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" ] } "a" { "source-value" [ 10.0069 9.336397 8.920847 8.618927 8.381655 8.186169 8.019932 7.875321 7.74735 7.632582 7.528547 7.433406 7.345759 7.26451 7.188789 7.117891 7.051239 6.988352 6.928827 6.872324 6.818551 6.767254 6.718218 6.67125 6.639276 6.605624 6.570109 6.532513 6.492576 6.449987 6.404369 6.355258 6.302074 6.24408 6.180319 6.109515 6.029918 5.93903 5.833108 5.706176 5.547781 5.337 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00069e-09 9.336397e-10 8.920847e-10 8.618926999999999e-10 8.381655e-10 8.186169e-10 8.019932000000001e-10 7.875321e-10 7.74735e-10 7.632582000000001e-10 7.528547e-10 7.433406e-10 7.345759e-10 7.26451e-10 7.188789e-10 7.117891e-10 7.051239e-10 6.988352000000001e-10 6.928827e-10 6.872324000000001e-10 6.818551000000001e-10 6.767254000000001e-10 6.718218e-10 6.67125e-10 6.639276e-10 6.605624e-10 6.570109000000001e-10 6.532513e-10 6.492575999999999e-10 6.449987e-10 6.404369000000001e-10 6.355258e-10 6.302074e-10 6.24408e-10 6.180319e-10 6.109515e-10 6.029918000000001e-10 5.93903e-10 5.833108000000001e-10 5.706176e-10 5.547780999999999e-10 5.337e-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" [ 0.0107564 0.0161232 0.02084 0.0251631 0.029204 0.0329893 0.0365602 0.0399169 0.04307 0.0460257 0.0487906 0.0513703 0.0537575 0.0559514 0.0579584 0.0597754 0.0613918 0.0628045 0.0640097 0.0650035 0.0657818 0.0663402 0.066684 0.0668002 0.0667417 0.066545 0.0661705 0.0655661 0.0646652 0.0633708 0.06155 0.0590166 0.0555012 0.050604 0.0437109 0.0338478 0.0193719 -0.00261845 -0.0377163 -0.0978603 -0.212487 -0.473534 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.723365260397312e-21 2.583221409248256e-21 3.3389360777472002e-21 4.0315730526852486e-21 4.67899660338432e-21 5.285468519655744e-21 5.857589769177216e-21 6.395392395481152e-21 6.9005747057856e-21 7.374130049595457e-21 7.81711586348045e-21 8.230429366348225e-21 8.612900969265601e-21 8.964402498102913e-21 9.285959345897473e-21 9.577074837896832e-21 9.836050666882945e-21 1.006239015810336e-20 1.0255484484442177e-20 1.0414708797017282e-20 1.0539406203414146e-20 1.0628871745919617e-20 1.068395457814272e-20 1.0702571870476417e-20 1.0693199137244738e-20 1.0661684323113602e-20 1.0601682808664639e-20 1.0504847253703489e-20 1.0360507161935618e-20 1.0153121420139265e-20 9.861397101024e-21 9.45550167591053e-21 8.892272506634497e-21 8.10765457189632e-21 7.003258205412671e-21 5.423015382551424e-21 3.1037205280475525e-21 -4.1952193727337603e-22 -6.042817408307905e-21 -1.5678948476447426e-20 -3.4044170362392964e-20 -7.586851039539073e-20 ] } }