{ "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" [ [ 0.6977917 0.2559248 0.8783031 ] [ 0.349385 0.3940236 2.698898 ] [ 1.248694 1.36901 2.090768 ] [ 0.3246804 2.316928 0.2892628 ] [ 2.775341 0.8800459 0.0497676 ] [ 2.033969 2.77175 0.0650166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.977917e-11 2.559248e-11 8.783031e-11 ] [ 3.49385e-11 3.940236e-11 2.698898e-10 ] [ 1.248694e-10 1.36901e-10 2.090768e-10 ] [ 3.246804e-11 2.316928e-10 2.892628e-11 ] [ 2.775341e-10 8.800459e-11 4.976760000000001e-12 ] [ 2.033969e-10 2.77175e-10 6.50166e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3708848 -24.0626767 -34.5775066 ] [ -45.4734759 -45.5240077 43.585828 ] [ 53.8044393 64.4036076 -4.7630458 ] [ -29.2901333 3.5603148 -0.3862963 ] [ 10.7802883 -10.8696915 -0.9210475 ] [ 17.5497663 12.4924535 -2.9379317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.180945930117008e-08 -3.85526580426089e-08 -5.53992726800777e-08 ] [ -7.285653995349223e-08 -7.293750082205917e-08 6.983219461981003e-08 ] [ 8.620421474171272e-08 1.031859543918972e-07 -7.631240624559634e-09 ] [ -4.692796679337555e-08 5.704253135248228e-09 -6.18914900561543e-10 ] [ 1.727192587974378e-08 -1.741516559660848e-08 -1.475680771146288e-09 ] [ 2.811782526636372e-08 2.001511693413113e-08 -4.707085483247199e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.088508 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.898098462275377e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4768896 0.0841654 0.5650414 ] [ 0.3164861 -0.0520104 2.9342555 ] [ 1.5437801 1.8782204 2.0987414 ] [ -0.0304667 2.4434974 0.2260217 ] [ 2.830962 0.6637041 0.3174533 ] [ 2.29221 2.9701054 -0.0694973 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.768896000000001e-11 8.416540000000001e-12 5.650414e-11 ] [ 3.164861e-11 -5.20104e-12 2.9342555e-10 ] [ 1.5437801e-10 1.8782204e-10 2.0987414e-10 ] [ -3.04667e-12 2.4434974e-10 2.260217e-11 ] [ 2.830962e-10 6.637041e-11 3.174533e-11 ] [ 2.29221e-10 2.9701054e-10 -6.94973e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 -3.27e-05 -2.04e-05 ] [ -3.9e-06 -5.9e-06 1.28e-05 ] [ 1.86e-05 2.48e-05 1.42e-05 ] [ -8.9e-06 2.52e-05 -1.31e-05 ] [ -1.63e-05 -1.19e-05 -2.9e-06 ] [ -5.6e-06 5e-07 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 -5.239117550016001e-14 -3.268440306432e-14 ] [ -6.24848882112e-15 -9.45284206272e-15 2.050786074624e-14 ] [ 2.980048514688e-14 3.973398019584e-14 2.275090801536e-14 ] [ -1.425937192512e-14 4.037485084416e-14 -2.098851373248e-14 ] [ -2.611547891904e-14 -1.906590178752e-14 -4.646312200320001e-15 ] [ -8.972189076479999e-15 8.010883104e-16 1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.068901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.734739412494974e-18 } }