{ "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 8.52984 7.958309 7.604097 7.346743 7.144494 6.977864 6.836165 6.7129 6.603819 6.505992 6.417313 6.336216 6.261506 6.19225 6.127706 6.067273 6.010459 5.956855 5.906117 5.857954 5.812118 5.768393 5.726595 5.68656 5.646086 5.604378 5.561358 5.516939 5.471029 5.423524 5.374309 5.323256 5.270223 5.21505 5.157556 5.097538 5.034765 4.96897 4.899848 4.827045 4.750147 4.668665 4.582018 4.489507 4.390279 4.283282 4.167197 4.040333 3.900485 3.744685 3.568823 3.366956 3.130037 2.84328 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.52984e-10 7.958309e-10 7.604097000000001e-10 7.346743e-10 7.144494000000001e-10 6.977864e-10 6.836165000000001e-10 6.712900000000001e-10 6.603819e-10 6.505992000000001e-10 6.417313e-10 6.336216e-10 6.261506e-10 6.19225e-10 6.127706e-10 6.067273e-10 6.010459e-10 5.956855000000001e-10 5.906117e-10 5.857954000000001e-10 5.812118000000001e-10 5.768393e-10 5.726595e-10 5.68656e-10 5.646086e-10 5.604378e-10 5.561358e-10 5.516939e-10 5.471029e-10 5.423523999999999e-10 5.374309000000001e-10 5.323256e-10 5.270223e-10 5.215049999999999e-10 5.157555999999999e-10 5.097538e-10 5.034765e-10 4.96897e-10 4.899848000000001e-10 4.827045e-10 4.750147e-10 4.668665e-10 4.582018e-10 4.489507e-10 4.390279e-10 4.283282e-10 4.167197e-10 4.0403330000000007e-10 3.9004850000000005e-10 3.7446850000000004e-10 3.568823e-10 3.3669560000000003e-10 3.1300370000000005e-10 2.84328e-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" [ 1.01404 1.38239 1.75215 2.04902 2.27411 2.46049 2.63283 2.80136 2.96713 3.12724 3.27889 3.42014 3.54986 3.66748 3.77283 3.86602 3.94725 4.0168 4.07495 4.12185 4.15769 4.18281 4.19759 4.20242 4.19719 4.18019 4.14919 4.10149 4.03387 3.94246 3.82254 3.66808 3.4713 3.22068 2.89714 2.47572 1.92495 1.20549 0.267318 -0.956543 -2.55484 -4.63936 -7.34248 -10.8089 -15.2246 -20.8779 -28.1714 -37.6766 -50.2237 -67.0207 -89.8474 -121.617 -170.265 -260.799 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.62467119394136e-19 2.21483295707526e-19 2.8072537892631e-19 3.28289196659868e-19 3.6435259051457395e-19 3.9421395861906597e-19 4.218258707294219e-19 4.48827353542224e-19 4.75386635604042e-19 5.01039085691016e-19 5.25336094345626e-19 5.47966839300876e-19 5.687502745971239e-19 5.87595076166232e-19 6.04474007005422e-19 6.194046910576679e-19 6.324191718556499e-19 6.435623103451199e-19 6.5287896747183e-19 6.6039317588529e-19 6.661353769415459e-19 6.70160044646154e-19 6.72528061711206e-19 6.73301913025428e-19 6.72463974645846e-19 6.6974027436804585e-19 6.647735268026459e-19 6.57131144258466e-19 6.46297225859358e-19 6.31651729247964e-19 6.12438427053036e-19 5.876912067642719e-19 5.561635749604199e-19 5.16009824159112e-19 4.641730013426759e-19 3.9665407363264797e-19 3.0841099116182997e-19 1.9314079105206598e-19 4.2829065344761195e-20 -1.5325508440162618e-19 -4.09330495160856e-19 -7.43307418871424e-19 -1.1763949891612319e-18 -1.7317767019242599e-18 -2.4392498381996397e-18 -3.3450083546988598e-18 -4.51355588270676e-18 -6.0364568168564395e-18 -8.04672386130258e-18 -1.073789995343238e-17 -1.4395140490565157e-17 -1.94851915697178e-17 -2.7279460458800995e-17 -4.178460639705659e-17 ] } }