{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.761721 1.020444 0.0090108 ] [ 0.5084234 2.183768 2.158754 ] [ 1.862989 0.5350959 1.816496 ] [ 0.5578759 0.1863455 0.8245653 ] [ 2.554812 2.767243 0.4680195 ] [ 2.723778 2.754915 2.18144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.761721e-10 1.020444e-10 9.010799999999999e-13 ] [ 5.084234e-11 2.183768e-10 2.158754e-10 ] [ 1.862989e-10 5.350959e-11 1.816496e-10 ] [ 5.578759e-11 1.863455e-11 8.245652999999999e-11 ] [ 2.554812e-10 2.767243e-10 4.680195e-11 ] [ 2.723778e-10 2.754915e-10 2.18144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 25.6535338 2.9097268 -59.2904589 ] [ -20.3228205 12.8413454 12.3785092 ] [ 37.1127173 -23.9333613 53.382822 ] [ -62.2233268 -27.8558926 -4.7393269 ] [ 9.1083417 29.7192215 -35.9702293 ] [ 10.6715545 6.3189602 34.238684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.110149209526259e-08 4.661896251875198e-09 -9.499378708608329e-08 ] [ -3.256074787381496e-08 2.057410337949762e-08 1.983255804059771e-08 ] [ 5.94611279924197e-08 -3.834547193201949e-08 8.55287093607279e-08 ] [ -9.969275946735808e-08 -4.463005987523573e-08 -7.59323875750854e-09 ] [ 1.459317212599773e-08 4.76154418756767e-08 -5.763066042927515e-08 ] [ 1.709771512749303e-08 1.012409030020569e-08 5.485641903175903e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 58.788152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.418900271443676e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9863184 1.0834795 -0.5501847 ] [ 0.0056453 2.6007946 2.3854912 ] [ 2.0647781 -0.0163975 2.2962598 ] [ 0.3626347 -0.0732066 0.8062335 ] [ 2.5646111 3.015551 0.2536689 ] [ 2.9856117 2.8375904 2.2668169 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9863184e-10 1.0834795e-10 -5.501847e-11 ] [ 5.6453e-13 2.6007946e-10 2.3854912e-10 ] [ 2.0647781e-10 -1.63975e-12 2.2962598e-10 ] [ 3.626347e-11 -7.32066e-12 8.062335000000001e-11 ] [ 2.5646111e-10 3.015551e-10 2.536689e-11 ] [ 2.9856117e-10 2.8375904e-10 2.2668169e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.7433203 -0.0424065 0.3887248 ] [ -0.6197101 0.5977042 1.0057208 ] [ -0.3924278 -0.0977748 -0.0050613 ] [ 0.3748249 -0.2293404 -0.3277213 ] [ -0.1738897 0.265912 -0.3438679 ] [ 0.0678824 -0.4940945 -0.7177952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.190930406426042e-09 -6.794270286995519e-11 6.228057864851558e-10 ] [ -9.928850338936302e-10 9.576276953939674e-10 1.611342352812273e-09 ] [ -6.287386465119783e-10 -1.566524986633959e-10 -8.10909653085504e-12 ] [ 6.005356916736979e-10 -3.674438270849203e-10 -5.25067404998183e-10 ] [ -2.786020119379258e-10 4.260379895901696e-10 -5.509371100235922e-10 ] [ 1.087595942437939e-10 -7.916266563658656e-10 -1.15003468796246e-09 ] ] } "relaxed-potential-energy" { "source-value" -14.896042 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.386609023485488e-18 } }