{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5314857 -5.8550338 14.0366758 ] [ -10.949701 5.0537663 6.3852605 ] [ 13.2317059 -30.5499663 7.1454666 ] [ 98.4180768 15.8465331 28.8686266 ] [ -91.168596 15.5047006 -56.4360296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.527112355002952e-08 -9.380798268353784e-09 2.248923380050914e-08 ] [ -1.754335494695038e-08 8.09702621284692e-09 1.023031509081772e-08 ] [ 2.119952984628142e-08 -4.894644177208789e-08 1.144829953122726e-08 ] [ 1.576831417130589e-07 2.538894485355335e-08 4.625263861312499e-08 ] [ -1.460681930623604e-07 2.484126881382373e-08 -9.042048719589677e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.315929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.696929606083273e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.034794 0.3341345 3.1012488 ] [ -0.1670492 2.0117528 1.9732378 ] [ 3.1430009 0.1372798 2.0775549 ] [ 3.2440916 1.6932158 0.3168488 ] [ 1.1983857 2.8517388 0.2524092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.034794e-10 3.341345e-11 3.1012488e-10 ] [ -1.670492e-11 2.0117528e-10 1.9732378e-10 ] [ 3.1430009e-10 1.372798e-11 2.0775549e-10 ] [ 3.2440916e-10 1.6932158e-10 3.168488e-11 ] [ 1.1983857e-10 2.8517388e-10 2.524092e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 4e-07 1.3e-06 ] [ -1.9e-06 2.7e-06 -2e-07 ] [ 5.7e-06 7e-07 -5.9e-06 ] [ -2.2e-06 -1e-06 5.2e-06 ] [ 1.1e-06 -2.8e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 6.408706483200001e-16 2.08282960704e-15 ] [ -3.04413557952e-15 4.32587687616e-15 -3.2043532416e-16 ] [ 9.13240673856e-15 1.12152363456e-15 -9.45284206272e-15 ] [ -3.52478856576e-15 -1.6021766208e-15 8.33131842816e-15 ] [ 1.76239428288e-15 -4.48609453824e-15 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }