{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1961665 -0.3291087 -1.7558778 ] [ -2.2579849 -2.433762 1.5247741 ] [ -0.7599817 1.1500171 0.9774234 ] [ 0.2786757 -2.4589318 -2.1588736 ] [ 2.8793163 -2.7571591 0.6677738 ] [ 0.9164034 3.5849585 -0.7467799 ] [ 0.1397377 3.2439861 1.4915601 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.916470000884163e-09 -5.272902648418809e-10 -2.813226360141738e-09 ] [ -3.617690616899426e-09 -3.89931657699145e-09 2.442957415021361e-09 ] [ -1.21762491197584e-09 1.842530511140215e-09 1.566004920102847e-09 ] [ 4.464876913250746e-10 -3.939643042101661e-09 -3.458896809182331e-09 ] [ 4.61317325974836e-09 -4.41745584984597e-09 1.069891570342775e-09 ] [ 1.468240102701631e-09 5.743736695238237e-09 -1.196473296663362e-09 ] [ 2.238844759843642e-10 5.19743868762017e-09 2.38974272073811e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.600229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.018779232052616e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1444195 2.621014 1.3233376 ] [ 2.3234854 1.258619 3.3953068 ] [ 2.0295959 3.6208865 3.5967554 ] [ 4.4533198 1.7148545 1.1526699 ] [ 4.5830321 1.5828496 3.428084 ] [ 4.159424 4.0771122 1.3541483 ] [ 4.3003252 3.8552432 3.6218989 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1444195e-10 2.621014e-10 1.3233376e-10 ] [ 2.3234854e-10 1.258619e-10 3.3953068e-10 ] [ 2.0295959e-10 3.6208865e-10 3.5967554e-10 ] [ 4.4533198e-10 1.7148545e-10 1.1526699e-10 ] [ 4.5830321e-10 1.5828496e-10 3.428084e-10 ] [ 4.159424e-10 4.0771122e-10 1.3541483e-10 ] [ 4.3003252e-10 3.8552432e-10 3.6218989e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.06e-05 3.17e-05 -2.78e-05 ] [ -2.42e-05 -1.14e-05 2.24e-05 ] [ 3.8e-06 -2.5e-05 1.04e-05 ] [ -5.3e-06 9.8e-06 -8.9e-06 ] [ 4e-06 1.56e-05 1.7e-06 ] [ -1.91e-05 -3.82e-05 2.8e-06 ] [ 1.02e-05 1.74e-05 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.902660459647999e-14 5.078899887936e-14 -4.454051005824e-14 ] [ -3.877267422336e-14 -1.826481347712e-14 3.588875630592e-14 ] [ 6.08827115904e-15 -4.005441552e-14 1.666263685632e-14 ] [ -8.491536090240001e-15 1.570133088384e-14 -1.425937192512e-14 ] [ 6.4087064832e-15 2.499395528448e-14 2.72370025536e-15 ] [ -3.060157345728e-14 -6.120314691456e-14 4.48609453824e-15 ] [ 1.634220153216e-14 2.787787320192e-14 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }