{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7611204 -0.7805993 -0.1757703 ] [ 0.1202769 -2.222828 2.7703823 ] [ -1.0063367 2.9372477 -2.9805047 ] [ 0.1764222 1.3052193 0.8128996 ] [ -0.3718502 0.1945089 -1.2753056 ] [ -1.3281085 -2.2124126 1.4245888 ] [ 1.6484759 0.7788641 -0.5762901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.219449310493944e-09 -1.250657948672845e-09 -2.816150652910022e-10 ] [ 1.927048372022995e-10 -3.561363053659622e-09 4.438641751738132e-09 ] [ -1.612329133393024e-09 4.705989594438572e-09 -4.775294948524518e-09 ] [ 2.826595242301018e-10 2.091191847476941e-09 1.302408734177672e-09 ] [ -5.957696968798041e-10 3.116376121175251e-10 -2.043264816695316e-09 ] [ -2.127864388585757e-09 -3.544675743283342e-09 2.282442869613527e-09 ] [ 2.641149546932239e-09 1.247877851800433e-09 -9.233185250184942e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.132525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.225586087267152e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8294145 2.0610728 1.9637073 ] [ 2.5827728 2.4132063 4.2679252 ] [ 2.1782397 4.2670048 2.7491573 ] [ 5.0802584 2.6156721 2.1121909 ] [ 4.8319836 2.9702805 4.4312985 ] [ 4.3157652 4.7716835 1.7083411 ] [ 4.0693218 5.124102 4.0125356 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8294145e-10 2.0610728e-10 1.9637073e-10 ] [ 2.5827728e-10 2.4132063e-10 4.2679252e-10 ] [ 2.1782397e-10 4.2670048e-10 2.7491573e-10 ] [ 5.0802584e-10 2.6156721e-10 2.1121909e-10 ] [ 4.8319836e-10 2.9702805e-10 4.4312985e-10 ] [ 4.315765200000001e-10 4.7716835e-10 1.7083411e-10 ] [ 4.0693218e-10 5.124102e-10 4.0125356e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 9.6e-06 1.62e-05 ] [ 2.98e-05 -1.5e-06 -8.3e-06 ] [ -1.81e-05 -3e-07 -4.9e-06 ] [ -1.26e-05 -9.9e-06 -1e-06 ] [ -1.09e-05 1.06e-05 -1.84e-05 ] [ 2.85e-05 -5.1e-06 1.2e-05 ] [ -1.42e-05 -3.5e-06 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-15 1.538089555968e-14 2.595526125696e-14 ] [ 4.774486329984001e-14 -2.4032649312e-15 -1.329806595264e-14 ] [ -2.899939683648e-14 -4.8065298624e-16 -7.850665441919999e-15 ] [ -2.018742542208e-14 -1.586154854592e-14 -1.6021766208e-15 ] [ -1.746372516672e-14 1.698307218048e-14 -2.948004982272e-14 ] [ 4.56620336928e-14 -8.17110076608e-15 1.92261194496e-14 ] [ -2.275090801536e-14 -5.6076181728e-15 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }