{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6786686 -10.5984668 -5.7490828 ] [ -12.9523267 4.9093725 -1.0743227 ] [ -8.5813156 7.3620156 3.5450681 ] [ 13.336927 -3.9295879 1.4682565 ] [ 4.5180466 2.2566666 1.8100808 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.893876826591067e-09 -1.698061572328499e-08 -9.211046053203402e-09 ] [ -2.075191502370362e-08 7.865681842298448e-09 -1.721254713134732e-09 ] [ -1.374878323002633e-08 1.179524927628488e-08 5.679825228963876e-09 ] [ 2.136811263271628e-08 -6.295893862758569e-09 2.352406237637635e-09 ] [ 7.238708634204929e-09 3.615578467460225e-09 2.90006913951896e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.7328992245910992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.174234003042308e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0813481 0.1321247 1.4245991 ] [ 0.3598733 2.034236 0.1435289 ] [ -0.0169263 1.9995303 2.4667831 ] [ 2.6603923 1.6981422 0.5114753 ] [ 2.2836284 1.6636988 2.8347509 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0813481e-10 1.321247e-11 1.4245991e-10 ] [ 3.598733e-11 2.034236e-10 1.435289e-11 ] [ -1.69263e-12 1.9995303e-10 2.4667831e-10 ] [ 2.6603923e-10 1.6981422e-10 5.114753e-11 ] [ 2.2836284e-10 1.6636988e-10 2.8347509e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.76e-05 1.49e-05 8e-06 ] [ 8.1e-06 -2.21e-05 -6.2e-05 ] [ 4.14e-05 3.26e-05 3.66e-05 ] [ -6.21e-05 2.01e-05 7.66e-05 ] [ -2.5e-05 -4.56e-05 -5.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.024184094208e-14 2.387243164992e-14 1.28174129664e-14 ] [ 1.297763062848e-14 -3.540810331968e-14 -9.93349504896e-14 ] [ 6.633011210111999e-14 5.223095783807999e-14 5.863966432128e-14 ] [ -9.949516815168001e-14 3.220375007808e-14 1.2272672915328e-13 ] [ -4.005441552e-14 -7.305925390848e-14 -9.484885595136001e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }