{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5144605 0.3011407 0.4916335 ] [ -0.826563 -0.2031141 -0.917306 ] [ -3.947726 0.58147 0.8422528 ] [ 1.1679737 -1.3940034 -0.0017284 ] [ 0.9176716 -0.8118017 0.3626242 ] [ 3.119045 0.6649994 -1.2232367 ] [ 0.0840593 0.8613091 0.4457606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.242565922159569e-10 4.824805930864037e-10 7.876837061916388e-10 ] [ -1.324299925128942e-09 -3.254246650559394e-10 -1.469686239428004e-09 ] [ -6.324954354634283e-09 9.3161764737198e-10 1.349437756081075e-09 ] [ 1.871300171266525e-09 -2.233439675196555e-09 -2.7692020942056e-12 ] [ 1.470271995205394e-09 -1.300649715181478e-09 5.809880201629427e-10 ] [ 4.997261019394529e-09 1.065446500304019e-09 -1.959841258591268e-09 ] [ 1.346778463303962e-10 1.379969314671569e-09 7.141872176778203e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.890651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.065309982924873e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0830655 0.8237868 2.8570357 ] [ 1.7112678 2.1997456 3.3692437 ] [ 2.098058 3.7784864 1.6731427 ] [ 5.2296424 1.8195841 1.6683714 ] [ 3.7482035 1.0340719 3.2649759 ] [ 4.1608252 3.5971329 0.6373166 ] [ 1.4202205 3.2203132 5.430551 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.30655e-12 8.237868e-11 2.8570357e-10 ] [ 1.7112678e-10 2.1997456e-10 3.3692437e-10 ] [ 2.098058e-10 3.7784864e-10 1.6731427e-10 ] [ 5.229642400000001e-10 1.8195841e-10 1.6683714e-10 ] [ 3.7482035e-10 1.0340719e-10 3.2649759e-10 ] [ 4.1608252e-10 3.5971329e-10 6.373166e-11 ] [ 1.4202205e-10 3.2203132e-10 5.430551000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 -2.22e-05 -4.74e-05 ] [ 2.6e-06 9.1e-06 -4.4e-06 ] [ -1.58e-05 -1.36e-05 4.56e-05 ] [ -2.2e-05 -1.51e-05 -9.1e-06 ] [ -5.5e-06 4.2e-06 5.5e-06 ] [ -1.6e-06 -1.9e-06 5.9e-06 ] [ 1.85e-05 3.96e-05 3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.81318038892e-14 -3.55683212748e-14 -7.59431724516e-14 ] [ 4.165659248399999e-15 1.45798073694e-14 -7.0495771896e-15 ] [ -2.53143908172e-14 -2.17896022224e-14 7.30592545104e-14 ] [ -3.5247885948e-14 -2.41928671734e-14 -1.45798073694e-14 ] [ -8.811971486999999e-15 6.729141862799999e-15 8.811971486999999e-15 ] [ -2.5634826144e-15 -3.0441356046e-15 9.452842140600001e-15 ] [ 2.9640267729e-14 6.34461947064e-14 6.248488872599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.296024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.771128551390321e-18 } }