{ "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" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9540329 -0.8402736 -3.7309316 ] [ 1.2862904 -1.6104055 1.2547721 ] [ -0.4084896 -2.9349256 4.1050204 ] [ -0.056744 2.6776671 -0.9454351 ] [ 1.132976 2.7079376 -0.6834258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.130705828654025e-09 -1.346266716995451e-09 -5.977611383323937e-09 ] [ 2.06086440643948e-09 -2.580154042107735e-09 2.01036652305212e-09 ] [ -6.544724869599437e-10 -4.702269180107413e-09 6.576967712787065e-09 ] [ -9.09139101706752e-11 4.290095625905335e-09 -1.51475401370371e-09 ] [ 1.815227659127501e-09 4.338594313305263e-09 -1.094968838811537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.255096 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.12370049176596e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9514943 2.1433305 1.0443586 ] [ 2.9020655 1.6096161 2.4182101 ] [ 0.8214122 1.9560066 3.4784921 ] [ 0.6739976 4.0949929 2.490407 ] [ 2.7546423 3.7485949 1.4301113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.514943000000001e-11 2.1433305e-10 1.0443586e-10 ] [ 2.9020655e-10 1.6096161e-10 2.4182101e-10 ] [ 8.214122000000001e-11 1.9560066e-10 3.4784921e-10 ] [ 6.739976e-11 4.0949929e-10 2.490407e-10 ] [ 2.7546423e-10 3.7485949e-10 1.4301113e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -1e-07 -9e-07 ] [ 1.4e-06 -3.6e-06 -2.8e-06 ] [ 1.1e-06 4.3e-06 1.8e-06 ] [ -5.2e-06 -1.2e-06 -3e-07 ] [ 2.9e-06 5e-07 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -1.6021766208e-16 -1.44195895872e-15 ] [ 2.24304726912e-15 -5.76783583488e-15 -4.48609453824e-15 ] [ 1.76239428288e-15 6.889359469440001e-15 2.88391791744e-15 ] [ -8.33131842816e-15 -1.92261194496e-15 -4.8065298624e-16 ] [ 4.646312200320001e-15 8.010883104e-16 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }