{ "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" [ [ -6.6628708 -0.5272804 -6.9459443 ] [ -7.5553203 -10.7267064 7.532175 ] [ -6.7727818 5.9038972 3.9860213 ] [ 3.0593365 -8.6703439 -9.6915262 ] [ 8.9188798 -7.2385787 3.7754939 ] [ 6.1857023 12.4398952 -6.7829697 ] [ 2.8270545 8.819117 8.12675 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.067509582317099e-08 -8.447963294860724e-10 -1.112862956683902e-08 ] [ -1.210495754731564e-08 -1.718607821226573e-08 1.206787468877424e-08 ] [ -1.085119265773974e-08 9.459086065446581e-09 6.386310136870823e-09 ] [ 4.9015974154601e-09 -1.389142229087589e-08 -1.552753669751066e-08 ] [ 1.428962069928538e-08 -1.159748156096086e-08 6.049008058553013e-09 ] [ 9.91058760828879e-09 1.993090925464214e-08 -1.086751547293479e-08 ] [ 4.529440625627434e-09 1.412978307349983e-08 1.30204888530864e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.107333 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.619373263124033e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1496717 3.0753898 1.0318541 ] [ 2.4020644 1.065753 4.1428948 ] [ 1.8294552 3.2706431 3.3990354 ] [ 4.3293215 1.6865479 1.0314121 ] [ 4.6422272 1.4783494 3.3984675 ] [ 4.4501203 4.2808809 1.2571016 ] [ 4.1907418 3.8730151 3.6114355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1496717e-10 3.0753898e-10 1.0318541e-10 ] [ 2.4020644e-10 1.065753e-10 4.1428948e-10 ] [ 1.8294552e-10 3.2706431e-10 3.3990354e-10 ] [ 4.3293215e-10 1.6865479e-10 1.0314121e-10 ] [ 4.6422272e-10 1.4783494e-10 3.3984675e-10 ] [ 4.4501203e-10 4.2808809e-10 1.2571016e-10 ] [ 4.1907418e-10 3.8730151e-10 3.6114355e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.08e-05 1.22e-05 -1.9e-06 ] [ 1.38e-05 4.64e-05 -2.42e-05 ] [ 3.64e-05 -3.19e-05 6.8e-06 ] [ -1.79e-05 1e-07 5.6e-06 ] [ 1.3e-05 1e-06 2.9e-06 ] [ 1.45e-05 -2.24e-05 1.44e-05 ] [ -4.89e-05 -5.5e-06 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.730350750464e-14 1.954655477376e-14 -3.04413557952e-15 ] [ 2.211003736704e-14 7.434099520512001e-14 -3.877267422336e-14 ] [ 5.831922899712e-14 -5.110943420352001e-14 1.089480102144e-14 ] [ -2.867896151232001e-14 1.6021766208e-16 8.972189076479999e-15 ] [ 2.08282960704e-14 1.6021766208e-15 4.646312200320001e-15 ] [ 2.32315610016e-14 -3.588875630592e-14 2.307134333952e-14 ] [ -7.834643675712001e-14 -8.8119714144e-15 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }