{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7117371 -5.5156987 -13.2171679 ] [ -5.0385382 9.3281939 -0.5941512 ] [ -1.6236353 -1.3825518 4.1002163 ] [ -1.8067591 -12.1480987 14.527019 ] [ 11.9022753 4.6069472 -11.8814788 ] [ 3.2783944 5.1112081 7.0655626 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.075338826657599e-08 -8.837123504516952e-09 -2.117623740256823e-08 ] [ -8.072628107047714e-09 1.494541418086917e-08 -9.51935161860265e-10 ] [ -2.601350518365594e-09 -2.215092171004957e-09 6.569270696083078e-09 ] [ -2.894747189437649e-09 -1.946339972431087e-08 2.327485021171739e-08 ] [ 1.90695472199853e-08 7.381143097100022e-09 -1.903622755389084e-08 ] [ 5.252566861441643e-09 8.189058121863588e-09 1.132027921051886e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5751035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.727947244640253e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8101769 0.1290296 0.0264926 ] [ 0.6037909 3.6588774 2.4324346 ] [ -0.12382 1.6478496 2.9667839 ] [ 0.5793528 -0.1174309 1.8466085 ] [ 3.0593776 1.9395036 -0.0010788 ] [ 2.4995106 3.6279529 1.3007612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8101769e-10 1.290296e-11 2.64926e-12 ] [ 6.037909000000001e-11 3.6588774e-10 2.4324346e-10 ] [ -1.2382e-11 1.6478496e-10 2.9667839e-10 ] [ 5.793528e-11 -1.174309e-11 1.8466085e-10 ] [ 3.0593776e-10 1.9395036e-10 -1.0788e-13 ] [ 2.4995106e-10 3.6279529e-10 1.3007612e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5129854 -0.7714718 0.7698243 ] [ 0.5370016 0.0469243 0.0496683 ] [ -0.1675746 -0.248337 -0.0216715 ] [ 0.0858358 0.1196379 -0.6215628 ] [ 0.3764123 0.5745731 -0.1544904 ] [ -0.3186896 0.2786736 -0.0217678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.218932146917365e-10 -1.236034081566493e-09 1.233394495583726e-09 ] [ 8.603714088521932e-10 7.518101640740545e-11 7.957738905488064e-11 ] [ -2.684841063599117e-10 -3.978797354796096e-10 -3.47215706376672e-11 ] [ 1.375241119876646e-10 1.916810463416083e-10 -9.958533865189862e-10 ] [ 6.030789868415558e-10 9.205675877605804e-10 -2.475209070180403e-10 ] [ -5.105970264121038e-10 4.464843267541709e-10 -3.487586024625024e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.742211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.361962580310059e-18 } }