{ "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" [ [ 7.094488 7.0456223 -0.8086902 ] [ 0.2781059 8.533195 -6.9542948 ] [ -1.4098302 0.4749316 1.5571628 ] [ -0.2781059 -8.533195 6.9542948 ] [ -7.2119829 -9.1807588 -2.9431386 ] [ 1.8837409 -2.4269848 2.9051576 ] [ -0.3564157 4.0871898 -0.7104917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.136662281014615e-08 1.128833132804712e-08 -1.295664531910076e-09 ] [ 4.455747710865427e-10 1.367168552972746e-08 -1.114200854271101e-08 ] [ -2.258796985737789e-09 7.609243059991373e-10 2.494849832939466e-09 ] [ -4.455747710865427e-10 -1.367168552972746e-08 1.114200854271101e-08 ] [ -1.155487039198938e-08 -1.470919711056386e-08 -4.715427856694043e-09 ] [ 3.018085629624751e-09 -3.888458305596964e-09 4.654575586459439e-09 ] [ -5.710409018260666e-10 6.548399942332228e-09 -1.138333191012447e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9621606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.43589641851749e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4071356 0.5743215 1.4957366 ] [ 1.1387098 1.5421858 4.6732124 ] [ 2.8707319 3.4930013 6.1638847 ] [ 1.1941922 3.2445692 3.2858216 ] [ 3.5094754 2.0025363 2.7308304 ] [ 3.6339163 3.7155077 4.1056367 ] [ 4.3370718 5.6812552 3.3901986 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4071356e-10 5.743215000000001e-11 1.4957366e-10 ] [ 1.1387098e-10 1.5421858e-10 4.6732124e-10 ] [ 2.8707319e-10 3.4930013e-10 6.1638847e-10 ] [ 1.1941922e-10 3.2445692e-10 3.2858216e-10 ] [ 3.5094754e-10 2.0025363e-10 2.7308304e-10 ] [ 3.6339163e-10 3.7155077e-10 4.1056367e-10 ] [ 4.3370718e-10 5.6812552e-10 3.3901986e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0836723 -0.194597 -0.1623663 ] [ -5.51e-05 -0.0016914 0.0013784 ] [ 0.0956213 0.023589 -0.1441218 ] [ 5.51e-05 0.0016914 -0.0013784 ] [ 0.0251175 -0.413797 -0.3357931 ] [ 0.0121225 0.8271176 0.5500078 ] [ -0.049189 -0.2423126 0.0922735 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.340578028685638e-10 -3.117787638778176e-10 -2.60139489865799e-10 ] [ -8.827993180608e-14 -2.70992153642112e-12 2.20844025411072e-12 ] [ 1.532022113105031e-10 3.77937443080512e-11 -2.309085785076134e-10 ] [ 8.827993180608e-14 2.70992153642112e-12 -2.20844025411072e-12 ] [ 4.0242671272944e-11 -6.629758791571777e-10 -5.379998542459565e-10 ] [ 1.9422386085648e-11 1.325188481372206e-09 8.812096384176423e-10 ] [ -7.88094658005312e-11 -3.882275826452621e-10 1.478384444193888e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.138725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.105055802212048e-18 } }