{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8622915 -5.5295841 -1.6945891 ] [ -3.9128761 5.25904 -0.8106867 ] [ 4.1851198 -4.1492172 2.0300366 ] [ -4.3859375 -5.0457852 2.402707 ] [ -0.421062 1.4107088 -5.9793793 ] [ 1.0344827 6.7910807 -0.206189 ] [ 5.3625646 1.2637571 4.2581006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.983719902414563e-09 -8.85937036776741e-09 -2.715031037882514e-09 ] [ -6.269118607507083e-09 8.425910935852031e-09 -1.298863277533503e-09 ] [ 6.705301098807171e-09 -6.647778792461237e-09 3.252477179888321e-09 ] [ -7.027046522789999e-09 -8.084239081018653e-09 3.849560982032505e-09 ] [ -6.746156923072895e-10 2.260204658116823e-09 -9.58002172135547e-09 ] [ 1.65742399656206e-09 1.08805107275061e-08 -3.303511952661312e-10 ] [ 8.591775629649703e-09 2.024762079990008e-09 6.822229230334452e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.172555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.231999600280214e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6286837 2.4409005 3.6311603 ] [ 2.6931408 4.7142342 2.7622823 ] [ 6.0546215 2.9279804 1.7488394 ] [ 3.5397172 2.8139305 1.2639326 ] [ 4.7061962 1.3369268 3.0048116 ] [ 4.8104794 5.0152635 1.5989537 ] [ 4.8175343 3.7601742 3.8344921 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6286837e-10 2.4409005e-10 3.6311603e-10 ] [ 2.6931408e-10 4.7142342e-10 2.7622823e-10 ] [ 6.0546215e-10 2.9279804e-10 1.7488394e-10 ] [ 3.5397172e-10 2.8139305e-10 1.2639326e-10 ] [ 4.7061962e-10 1.3369268e-10 3.0048116e-10 ] [ 4.8104794e-10 5.0152635e-10 1.5989537e-10 ] [ 4.8175343e-10 3.7601742e-10 3.8344921e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.24e-05 1.23e-05 1.95e-05 ] [ -0.0001037 -1.23e-05 7.29e-05 ] [ 8.89e-05 -9.4e-05 -1.79e-05 ] [ -6.14e-05 5.89e-05 -0.0001306 ] [ 7.71e-05 -6.35e-05 1.22e-05 ] [ 3.76e-05 -1.4e-06 -3.32e-05 ] [ 1.39e-05 0.0001 7.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.395405492992e-14 1.970677243584e-14 3.12424441056e-14 ] [ -1.6614571557696e-13 -1.970677243584e-14 1.1679867565632e-13 ] [ 1.4243350158912e-13 -1.506046023552e-13 -2.867896151232001e-14 ] [ -9.837364451712e-14 9.436820296512001e-14 -2.0924426667648e-13 ] [ 1.2352781746368e-13 -1.017382154208e-13 1.954655477376e-14 ] [ 6.024184094208e-14 -2.24304726912e-15 -5.319226381056e-14 ] [ 2.227025502912e-14 1.6021766208e-13 1.2352781746368e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }