{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1606535 -2.8193745 -26.1070861 ] [ -6.2899186 -8.5567441 20.528831 ] [ 0.5161478 1.2149279 -38.5729301 ] [ 36.23688 -8.6440909 23.8848622 ] [ -31.6237626 18.8052815 20.2663231 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.859571902549693e-09 -4.517135909179689e-09 -4.182816298663265e-08 ] [ -1.007756052765507e-08 -1.370941534718834e-08 3.289081308055429e-08 ] [ 8.269599380373543e-10 1.94652907733764e-09 -6.18006468019726e-08 ] [ 5.80578819467351e-08 -1.384936034805003e-08 3.826776780786966e-08 ] [ -5.066685309944942e-08 3.012938236686276e-08 3.247022906039898e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 28.978665224591097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.642893992482984e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5896801 1.0256332 0.789221 ] [ 1.1979469 0.6217609 3.0269903 ] [ 2.5047457 2.3656171 0.5105155 ] [ 3.1130092 1.9617519 2.7482881 ] [ 0.9477671 2.8884954 2.266094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.896801e-11 1.0256332e-10 7.89221e-11 ] [ 1.1979469e-10 6.217609e-11 3.0269903e-10 ] [ 2.5047457e-10 2.3656171e-10 5.105155e-11 ] [ 3.1130092e-10 1.9617519e-10 2.7482881e-10 ] [ 9.477671e-11 2.8884954e-10 2.266094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.2e-06 -1.9e-06 -0.0 ] [ -1e-07 2e-06 3.5e-06 ] [ 4.8e-06 5.7e-06 6.2e-06 ] [ -7.7e-06 2.1e-06 -7.1e-06 ] [ 8.2e-06 -7.9e-06 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.33131842816e-15 -3.04413557952e-15 0.0 ] [ -1.6021766208e-16 3.2043532416e-15 5.6076181728e-15 ] [ 7.69044777984e-15 9.13240673856e-15 9.93349504896e-15 ] [ -1.233675998016e-14 3.36457090368e-15 -1.137545400768e-14 ] [ 1.313784829056e-14 -1.265719530432e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.786807775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.271488126823796e-19 } }