{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.343535000000001e-11 5.386339e-11 1.4981833e-10 ] [ 4.752434e-11 2.6832293e-10 1.52756e-11 ] [ 1.155109e-10 2.6717199e-10 2.5953979e-10 ] [ 2.096783e-10 7.888998000000001e-11 -3.066273e-11 ] [ 2.776823e-10 7.777827000000001e-11 2.1358554e-10 ] [ 2.9174705e-10 2.9222625e-10 7.902683e-11 ] ] "source-value" [ [ 0.3343535 0.5386339 1.4981833 ] [ 0.4752434 2.6832293 0.152756 ] [ 1.155109 2.6717199 2.5953979 ] [ 2.096783 0.7888998 -0.3066273 ] [ 2.776823 0.7777827 2.1358554 ] [ 2.9174705 2.9222625 0.7902683 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.46967369000448e-12 5.78962543692288e-12 1.33188942487104e-12 ] [ 5.15564414807232e-12 -7.261865533776e-12 6.536880612864001e-12 ] [ -5.1205564800768e-13 -2.92685625087744e-12 -4.30296575048256e-12 ] [ 1.05471286947264e-12 4.66137266055552e-12 1.60874554494528e-12 ] [ -6.975556571639039e-12 5.5331169599328e-12 -6.00063209788224e-12 ] [ -2.19225827024064e-12 -5.79523305509568e-12 8.2608226568448e-13 ] ] "source-value" [ [ 0.0021656 0.0036136 0.0008313 ] [ 0.0032179 -0.0045325 0.00408 ] [ -0.0003196 -0.0018268 -0.0026857 ] [ 0.0006583 0.0029094 0.0010041 ] [ -0.0043538 0.0034535 -0.0037453 ] [ -0.0013683 -0.0036171 0.0005156 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.503926463762901e-18 "source-value" -21.869789 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.363278367859891e-08 -1.067106859201695e-08 1.303986077060849e-09 ] [ -1.158841532411674e-08 1.007776208147396e-08 -1.028974430777773e-08 ] [ -3.129460456766677e-09 1.334119975162518e-08 1.539656132224286e-08 ] [ 9.511748008795658e-09 -1.038432255609783e-08 -1.809398059383889e-08 ] [ 2.037067885917854e-08 -1.448627698468756e-08 1.409993628544861e-08 ] [ 8.468232751725789e-09 1.212270597926788e-08 -2.416758783135702e-09 ] ] "source-value" [ [ -14.7504235 -6.6603572 0.8138841 ] [ -7.23292 6.2900444 -6.4223533 ] [ -1.9532556 8.326922 9.6097778 ] [ 5.9367662 -6.4813844 -11.2933745 ] [ 12.7143778 -9.041623 8.8004881 ] [ 5.2854552 7.566398 -1.5084222 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.565755881349812e-19 "source-value" -2.8497207 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.419945000000001e-11 1.059703e-10 1.497036e-10 ] [ 5.287309e-11 2.297187e-10 1.799033e-11 ] [ 1.173246e-10 2.181689e-10 2.79912e-10 ] [ 2.288869e-10 1.000101e-10 1.162968e-11 ] [ 2.25753e-10 9.328521e-11 1.885741e-10 ] [ 2.965412e-10 2.910996e-10 3.877363e-11 ] ] "source-value" [ [ 0.5419945 1.059703 1.497036 ] [ 0.5287309 2.297187 0.1799033 ] [ 1.173246 2.181689 2.79912 ] [ 2.288869 1.000101 0.1162968 ] [ 2.25753 0.9328521 1.885741 ] [ 2.965412 2.910996 0.3877363 ] ] } "instance-id" 1 }