{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9683049 -9.8140874 -3.3327524 ] [ -10.7117545 2.1510282 2.8464125 ] [ -11.9542926 -10.4847177 0.6130852 ] [ 5.6644666 -1.7571738 0.7433458 ] [ 5.7729908 -4.6921518 1.9113645 ] [ 16.5821406 8.417243 -4.3487473 ] [ 5.614754 16.1798596 1.5672917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.757316168058608e-08 -1.572390138676786e-08 -5.33965797819509e-09 ] [ -1.716212262764919e-08 3.446327092721507e-09 4.56045556065288e-09 ] [ -1.915288812192245e-08 -1.679836957462795e-08 9.822707739984923e-10 ] [ 9.075475955822465e-09 -2.815302781042295e-09 1.190971261929873e-09 ] [ 9.249350891853489e-09 -7.517655915204638e-09 3.062343515727081e-09 ] [ 2.656751799213848e-08 1.348590994619245e-08 -6.967461253827124e-09 ] [ 8.995827590343283e-09 2.592299277894644e-08 2.511078119713888e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.348955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.138738361311127e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4793443 2.6329901 0.3966195 ] [ 1.7711445 4.9326123 1.2802291 ] [ 2.0107867 2.9868361 2.9316375 ] [ 4.9203005 2.5299459 0.9393951 ] [ 4.4787977 2.8637503 3.3282325 ] [ 4.177439 4.8581899 0.3998796 ] [ 3.7087823 5.2122995 2.9348455 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4793443e-10 2.6329901e-10 3.966195e-11 ] [ 1.7711445e-10 4.9326123e-10 1.2802291e-10 ] [ 2.0107867e-10 2.9868361e-10 2.9316375e-10 ] [ 4.9203005e-10 2.5299459e-10 9.393951e-11 ] [ 4.478797700000001e-10 2.8637503e-10 3.3282325e-10 ] [ 4.177439e-10 4.8581899e-10 3.998796e-11 ] [ 3.7087823e-10 5.212299500000001e-10 2.9348455e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 -4.27e-05 2.64e-05 ] [ 6.21e-05 -8.7e-06 -8.6e-06 ] [ -1.8e-05 2.37e-05 2.04e-05 ] [ 2.29e-05 4.93e-05 -2.79e-05 ] [ -4.06e-05 -4.08e-05 3.09e-05 ] [ -3.86e-05 4.71e-05 6.4e-06 ] [ 1.58e-05 -2.79e-05 -4.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 -6.841294170816001e-14 4.229746278912e-14 ] [ 9.949516815168001e-14 -1.393893660096e-14 -1.377871893888e-14 ] [ -2.88391791744e-14 3.797158591296e-14 3.268440306432e-14 ] [ 3.668984461632e-14 7.898730740544e-14 -4.470072772032e-14 ] [ -6.504837080448e-14 -6.536880612864e-14 4.950725758272e-14 ] [ -6.184401756288e-14 7.546251883968001e-14 1.025393037312e-14 ] [ 2.531439060864e-14 -4.470072772032e-14 -7.626360715008e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554916388474e-18 } }