{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9394462 -17.3752066 -8.6467122 ] [ -7.8045013 6.1225932 0.3796908 ] [ 0.7804791 -4.5266712 8.1069572 ] [ 5.8049999 7.4883212 -6.5725759 ] [ -2.7204239 8.2909635 6.73264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.311688600539401e-09 -2.783814979608986e-08 -1.385356013362613e-08 ] [ -1.250418951986321e-08 9.80947568370906e-09 6.083317228928486e-10 ] [ 1.250465367043025e-09 -7.252526766688681e-09 1.298877729166623e-08 ] [ 9.30063512352634e-09 1.1997613155681e-08 -1.053042744541352e-08 ] [ -4.358599571245558e-09 1.328358788360614e-08 1.078687840426291e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 44.044747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.056746391245095e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3541592 -3.1171651 -1.5559466 ] [ -3.3353239 1.4179319 -0.5142287 ] [ 1.3716191 -1.1514395 5.4580839 ] [ 3.5463588 4.2511803 -1.6334775 ] [ -0.2803652 5.9340932 4.4146884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3541592e-10 -3.1171651e-10 -1.5559466e-10 ] [ -3.3353239e-10 1.4179319e-10 -5.142287e-11 ] [ 1.3716191e-10 -1.1514395e-10 5.458083900000001e-10 ] [ 3.5463588e-10 4.2511803e-10 -1.6334775e-10 ] [ -2.803652e-11 5.934093200000001e-10 4.4146884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 4.4408921e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.115093498115416e-35 } }