{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5471106 1.2962433 1.685478 ] [ 1.486441 0.4572367 -0.2327276 ] [ -2.5441428 -0.3699497 -0.4643394 ] [ 1.7427586 0.3783003 0.2981856 ] [ -0.0157234 -0.774259 -2.0349492 ] [ 0.9619169 -2.6311036 1.062641 ] [ -1.0841397 1.6435321 -0.3142885 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.765678195337204e-10 2.076810727239052e-09 2.700433468721052e-09 ] [ 2.381541038019594e-09 7.325739569472677e-10 -3.728707228068984e-10 ] [ -4.076166147719334e-09 -5.927247650953097e-10 -7.439537369255796e-10 ] [ 2.792207107622552e-09 6.061039012951901e-10 4.777460009152704e-10 ] [ -2.51916640870356e-11 -1.240499678464206e-09 -3.260348059616992e-09 ] [ 1.541160781029714e-09 -4.215492709553282e-09 1.702538580530394e-09 ] [ -1.73698329533177e-09 2.633228727848951e-09 -5.035456910349089e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.195736005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.755060643287004e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9996823 1.7599878 2.5080334 ] [ 2.0591967 1.3403016 4.7641412 ] [ 2.3410425 3.708929 5.0621181 ] [ 1.0689195 3.7939415 3.0241993 ] [ 4.1053162 2.6534782 2.5697978 ] [ 4.2536606 2.2715807 4.828529 ] [ 3.2634152 4.7251583 3.0885021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9996823e-10 1.7599878e-10 2.5080334e-10 ] [ 2.0591967e-10 1.3403016e-10 4.764141200000001e-10 ] [ 2.3410425e-10 3.708929e-10 5.062118100000001e-10 ] [ 1.0689195e-10 3.7939415e-10 3.0241993e-10 ] [ 4.1053162e-10 2.6534782e-10 2.5697978e-10 ] [ 4.2536606e-10 2.2715807e-10 4.828528999999999e-10 ] [ 3.2634152e-10 4.725158300000001e-10 3.0885021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.44e-05 -2.34e-05 1.1e-06 ] [ -4.1e-05 -1.49e-05 1.84e-05 ] [ 2.8e-06 5.18e-05 2.92e-05 ] [ 3.06e-05 -2.96e-05 -2.24e-05 ] [ -2.56e-05 2.39e-05 -1.14e-05 ] [ 1.58e-05 -3.59e-05 -2.79e-05 ] [ -7e-06 2.81e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.909310986959999e-14 -3.749093323559999e-14 1.7623942974e-15 ] [ -6.568924199399999e-14 -2.38724318466e-14 2.94800500656e-14 ] [ 4.486094575199999e-15 8.299274964119999e-14 4.67835577128e-14 ] [ 4.90266050004e-14 -4.74244283664e-14 -3.588875660159999e-14 ] [ -4.10157218304e-14 3.82920215526e-14 -1.82648136276e-14 ] [ 2.53143908172e-14 -5.751814116059999e-14 -4.470072808859999e-14 ] [ -1.1215236438e-14 4.50211634154e-14 2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }