{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8122455 -20.8151591 -2.2134261 ] [ -42.0266979 7.0538474 -44.9689055 ] [ -14.6508097 13.8506931 28.0428237 ] [ 0.7803948 -3.538556 -6.6706363 ] [ 12.6973627 -64.5364953 24.4855657 ] [ 47.0119955 67.9856701 1.3245784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.107890612850007e-09 -3.334956126825237e-08 -3.546299549288523e-09 ] [ -6.733419282480447e-08 1.130150939097087e-08 -7.204812905506453e-08 ] [ -2.347318477712986e-08 2.219125666669588e-08 4.492955651335615e-08 ] [ 1.250330303553892e-09 -5.669391694591565e-09 -1.068753752571981e-08 ] [ 2.034341766375796e-08 -1.033988639580291e-07 3.923020091160239e-08 ] [ 7.53215200872548e-08 1.089250511836416e-07 2.122208544896671e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 22.590164 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.619343262083782e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0750804 0.4508197 3.3290303 ] [ 1.3931438 2.9582397 0.613862 ] [ 0.4186133 2.5705905 2.7642023 ] [ 2.5251689 1.0276418 0.1293856 ] [ 3.1393315 0.7577369 2.3394757 ] [ 2.8526094 3.0625499 2.625043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0750804e-10 4.508197e-11 3.3290303e-10 ] [ 1.3931438e-10 2.9582397e-10 6.13862e-11 ] [ 4.186133e-11 2.5705905e-10 2.7642023e-10 ] [ 2.5251689e-10 1.0276418e-10 1.293856e-11 ] [ 3.1393315e-10 7.577369000000001e-11 2.3394757e-10 ] [ 2.8526094e-10 3.0625499e-10 2.625043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 -1.24e-05 6.9e-06 ] [ 7.8e-06 3.5e-06 4.6e-06 ] [ 3.8e-06 -5.6e-06 -6e-07 ] [ 2.3e-06 -3.9e-06 -8.3e-06 ] [ -2.04e-05 1.04e-05 3.6e-06 ] [ 4.7e-06 8.1e-06 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 -1.986699009792e-14 1.105501868352e-14 ] [ 1.249697764224e-14 5.6076181728e-15 7.370012455680001e-15 ] [ 6.08827115904e-15 -8.972189076479999e-15 -9.6130597248e-16 ] [ 3.68500622784e-15 -6.24848882112e-15 -1.329806595264e-14 ] [ -3.268440306432e-14 1.666263685632e-14 5.76783583488e-15 ] [ 7.53023011776e-15 1.297763062848e-14 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }