{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4168667 -6.4821183 -10.2903441 ] [ -20.5191969 -19.2994479 26.5122522 ] [ -8.2756873 -6.7954882 1.8617235 ] [ -11.6084222 14.9722681 5.702792 ] [ 38.9864397 17.6047863 -23.7864236 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.270070701530047e-09 -1.038549839351984e-08 -1.648694873700722e-08 ] [ -3.287537755077184e-08 -3.092112421972766e-08 4.247731063959336e-08 ] [ -1.325911271311148e-08 -1.088757232096228e-08 2.982809866093949e-09 ] [ -1.85987426532157e-08 2.398821791016964e-08 9.136880015685273e-09 ] [ 6.246316221556896e-08 2.820597702404014e-08 -3.811005178436537e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.6825626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.297939081552462e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0757578 2.1905507 1.9389812 ] [ 2.4184548 2.1195053 4.7650881 ] [ -0.0076661 2.1515921 3.625364 ] [ 1.3644471 4.4519374 3.51681 ] [ 3.9134407 3.6897316 3.1885527 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0757578e-10 2.1905507e-10 1.9389812e-10 ] [ 2.4184548e-10 2.1195053e-10 4.7650881e-10 ] [ -7.666100000000001e-13 2.1515921e-10 3.625364e-10 ] [ 1.3644471e-10 4.451937400000001e-10 3.51681e-10 ] [ 3.913440700000001e-10 3.6897316e-10 3.1885527e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.9e-06 -3.8e-06 -1.29e-05 ] [ -1e-06 -6e-06 1.29e-05 ] [ 9.4e-06 6.2e-06 -1e-07 ] [ 9.6e-06 -5.2e-06 -3.7e-06 ] [ -1.1e-05 8.7e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.105501868352e-14 -6.08827115904e-15 -2.066807840832e-14 ] [ -1.6021766208e-15 -9.6130597248e-15 2.066807840832e-14 ] [ 1.506046023552e-14 9.93349504896e-15 -1.6021766208e-16 ] [ 1.538089555968e-14 -8.33131842816e-15 -5.928053496960001e-15 ] [ -1.76239428288e-14 1.393893660096e-14 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.907624 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.548682326527698e-18 } }