{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8657152 6.6052203 2.1775307 ] [ 6.8454602 -0.7861365 1.5913511 ] [ -0.3358845 3.6045787 -8.0258189 ] [ -2.7984414 -5.880638 6.1873538 ] [ -9.1393211 0.9096322 0.8431115 ] [ 3.5624717 -4.4526568 -2.7735283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.989205274511196e-09 1.058272953989356e-08 3.488788778614259e-09 ] [ 1.096763629105689e-08 -1.259529521057539e-09 2.549625527904363e-09 ] [ -5.381462931890976e-10 5.775171720973657e-09 -1.285877940435477e-08 ] [ -4.483597385758822e-09 -9.42182071898807e-09 9.91323360297804e-09 ] [ -1.464280659640414e-08 1.45739144436687e-09 1.350813534027619e-09 ] [ 5.707708870001632e-09 -7.133942625406141e-09 -4.443682199387169e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.253459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.526703146653135e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5942463 0.5337623 2.4403164 ] [ 1.0381582 2.0257954 2.9270391 ] [ 2.3919247 1.2847646 4.5090212 ] [ 2.5827545 3.3603531 3.7741795 ] [ 4.1388442 1.8683194 3.2874603 ] [ 2.7850786 2.6093503 1.7054775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5942463e-10 5.337623e-11 2.4403164e-10 ] [ 1.0381582e-10 2.0257954e-10 2.9270391e-10 ] [ 2.3919247e-10 1.2847646e-10 4.5090212e-10 ] [ 2.5827545e-10 3.360353100000001e-10 3.7741795e-10 ] [ 4.138844200000001e-10 1.8683194e-10 3.2874603e-10 ] [ 2.7850786e-10 2.6093503e-10 1.7054775e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.13e-05 -3.6e-06 7.07e-05 ] [ 1.37e-05 -1.64e-05 -2.59e-05 ] [ -9.6e-06 1.68e-05 -8.45e-05 ] [ 4.25e-05 3.18e-05 8.93e-05 ] [ -7.01e-05 -9.9e-06 -3.69e-05 ] [ -1.77e-05 -1.88e-05 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.616989443904001e-14 -5.76783583488e-15 1.1327388709056e-13 ] [ 2.194981970496e-14 -2.627569658112e-14 -4.149637447872e-14 ] [ -1.538089555968e-14 2.691656722944e-14 -1.353839244576e-13 ] [ 6.8092506384e-14 5.094921654144e-14 1.4307437223744e-13 ] [ -1.1231258111808e-13 -1.586154854592e-14 -5.912031730752001e-14 ] [ -2.835852618816e-14 -3.012092047104e-14 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }