{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5071061 -1.2257772 -2.6924959 ] [ -1.2151101 1.5558258 -0.742962 ] [ 0.2293016 -1.3771621 3.2620004 ] [ -1.6128386 1.8191215 -2.5783479 ] [ 0.0021911 0.9836827 -0.3339963 ] [ 1.2112112 0.0149116 0.4519009 ] [ 0.8781387 -1.7706023 2.6339008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.124735376850669e-10 -1.963911572149686e-09 -4.313853982579855e-09 ] [ -1.94682099391795e-09 2.492707722797457e-09 -1.190356346542809e-09 ] [ 3.673816626320333e-10 -2.206456919671832e-09 5.226300777920248e-09 ] [ -2.584052298043803e-09 2.914553937694627e-09 -4.130968725668776e-09 ] [ 3.51052919383488e-12 1.57603342422542e-09 -5.351210632937031e-10 ] [ 1.940574267491113e-09 2.389101689872128e-11 7.240250568984788e-10 ] [ 1.406933294959705e-09 -2.836817609794708e-09 4.219974283266417e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.456768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.277535542672958e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7703644 1.5608521 0.8708718 ] [ 1.0508032 2.7576644 1.8742281 ] [ 1.6357851 1.530961 3.7580947 ] [ 2.5906079 4.433128 2.4966746 ] [ 3.9357169 1.35115 2.9933306 ] [ 4.3003188 3.2254053 1.489581 ] [ 3.1659037 3.1955082 4.3763734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7703644e-10 1.5608521e-10 8.708718000000001e-11 ] [ 1.0508032e-10 2.7576644e-10 1.8742281e-10 ] [ 1.6357851e-10 1.530961e-10 3.7580947e-10 ] [ 2.5906079e-10 4.433128e-10 2.4966746e-10 ] [ 3.9357169e-10 1.35115e-10 2.9933306e-10 ] [ 4.300318800000001e-10 3.2254053e-10 1.489581e-10 ] [ 3.1659037e-10 3.1955082e-10 4.3763734e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-05 3.47e-05 -2e-07 ] [ 2.22e-05 -1.25e-05 -1.05e-05 ] [ -1.37e-05 -4.07e-05 2.87e-05 ] [ 6.43e-05 -9.1e-06 5.8e-06 ] [ -1.6e-05 1.25e-05 1.31e-05 ] [ -5.72e-05 -1.7e-06 -3.15e-05 ] [ -1.95e-05 1.68e-05 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-14 5.559552874176001e-14 -3.2043532416e-16 ] [ 3.556832098176e-14 -2.002720776e-14 -1.68228545184e-14 ] [ -2.194981970496e-14 -6.520858846656e-14 4.598246901696e-14 ] [ 1.0301995671744e-13 -1.457980724928e-14 9.292624400640001e-15 ] [ -2.56348259328e-14 2.002720776e-14 2.098851373248e-14 ] [ -9.164450270976e-14 -2.72370025536e-15 -5.04685635552e-14 ] [ -3.12424441056e-14 2.691656722944e-14 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }