{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9284248 -4.9462621 -1.1495427 ] [ -7.3947945 5.0760465 -5.2658372 ] [ 2.0534171 -0.3766366 6.2773128 ] [ -0.6475721 2.1555611 0.9642788 ] [ 1.774947 -1.4353213 -0.2763096 ] [ 0.8683835 -0.0055861 0.6601254 ] [ -1.5828058 -0.4678015 -1.2100274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.896206991930916e-09 -7.924785496969112e-09 -1.841770438551308e-09 ] [ -1.184776686352042e-08 8.132723028393668e-09 -8.436801250778935e-09 ] [ 3.289936870370936e-09 -6.034383550576012e-10 1.005736380960859e-08 ] [ -1.03752487890236e-09 3.453589599125931e-09 1.544944949293079e-09 ] [ 2.843778586559097e-09 -2.299638230196263e-09 -4.426967812225997e-10 ] [ 1.391303741588477e-09 -8.94991882145088e-12 1.057637482676248e-09 ] [ -2.535934448026641e-09 -7.495006264751712e-10 -1.93867761080741e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.197657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.236021384033747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9870365 1.3405925 1.6932828 ] [ 1.2143213 3.1587645 1.8887945 ] [ 2.3373859 2.2401163 4.0261999 ] [ 2.849169 4.7829415 3.0562747 ] [ 4.7766627 2.8060228 2.8436896 ] [ 3.4577227 3.6792292 0.8012404 ] [ 4.0334249 3.7866282 5.0223548 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9870365e-10 1.3405925e-10 1.6932828e-10 ] [ 1.2143213e-10 3.158764500000001e-10 1.8887945e-10 ] [ 2.3373859e-10 2.2401163e-10 4.0261999e-10 ] [ 2.849169e-10 4.7829415e-10 3.0562747e-10 ] [ 4.7766627e-10 2.8060228e-10 2.8436896e-10 ] [ 3.4577227e-10 3.6792292e-10 8.012404e-11 ] [ 4.0334249e-10 3.7866282e-10 5.022354799999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 2e-05 5.6e-06 ] [ 2.44e-05 3.4e-06 3.7e-06 ] [ 8.7e-06 6.5e-06 -2.12e-05 ] [ 1e-07 -1.35e-05 -1.46e-05 ] [ -1.37e-05 1e-07 -5.7e-06 ] [ -1.7e-05 -1.45e-05 3.76e-05 ] [ -4.1e-06 -2e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 3.2043532416e-14 8.972189076479999e-15 ] [ 3.909310954752e-14 5.44740051072e-15 5.928053496960001e-15 ] [ 1.393893660096e-14 1.04141480352e-14 -3.396614436096001e-14 ] [ 1.6021766208e-16 -2.16293843808e-14 -2.339177866368e-14 ] [ -2.194981970496e-14 1.6021766208e-16 -9.13240673856e-15 ] [ -2.72370025536e-14 -2.32315610016e-14 6.024184094208e-14 ] [ -6.568924145279999e-15 -3.2043532416e-15 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }