{ "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" [ [ 2.194843 2.698336 1.615904 ] [ 2.342296 1.479956 3.870973 ] [ 2.299802 3.774539 3.510423 ] [ 4.310954 2.51113 2.445623 ] [ 3.93016 4.43603 0.8578151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.194843e-10 2.698336e-10 1.615904e-10 ] [ 2.342296e-10 1.479956e-10 3.870973000000001e-10 ] [ 2.299802e-10 3.774539e-10 3.510423e-10 ] [ 4.310954e-10 2.51113e-10 2.445623e-10 ] [ 3.93016e-10 4.43603e-10 8.578151e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7404938 -0.9976875 -9.1321137 ] [ -1.530306 -5.8474684 5.0039432 ] [ -3.3836431 7.4185358 6.3020823 ] [ 9.6867683 -2.1804728 -0.484488 ] [ 0.9676746 1.607093 -1.6894238 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.197284958207352e-09 -1.5984715873644e-09 -1.463125906862738e-08 ] [ -2.451820495869965e-09 -9.368677161346784e-09 8.01720080685114e-09 ] [ -5.421193867951237e-09 1.188580461932782e-08 1.009704892341749e-08 ] [ 1.551991370136656e-08 -3.493502542450314e-09 -7.762353466581504e-10 ] [ 1.550385620661992e-09 2.574846832051335e-09 -2.706755314983095e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2603189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.427959959532373e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8576207 2.4043257 1.0975259 ] [ 2.4713883 1.7708534 3.4334743 ] [ 2.4321273 4.2516962 3.7137062 ] [ 4.7570851 2.2839727 2.5692107 ] [ 3.5598337 4.1891431 1.4868209 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8576207e-10 2.4043257e-10 1.0975259e-10 ] [ 2.4713883e-10 1.7708534e-10 3.4334743e-10 ] [ 2.4321273e-10 4.2516962e-10 3.7137062e-10 ] [ 4.757085100000001e-10 2.2839727e-10 2.5692107e-10 ] [ 3.5598337e-10 4.1891431e-10 1.4868209e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 1e-07 -0.0 ] [ -1e-07 -3e-07 2e-07 ] [ -0.0 0.0 -1e-07 ] [ 0.0 -0.0 0.0 ] [ 1e-07 2e-07 -1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 1.6021766208e-16 0.0 ] [ -1.6021766208e-16 -4.8065298624e-16 3.2043532416e-16 ] [ 0.0 0.0 -1.6021766208e-16 ] [ 0.0 0.0 0.0 ] [ 1.6021766208e-16 3.2043532416e-16 -1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }