{ "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" [ [ 1.724599 2.153048 2.374712 ] [ 0.8645185 3.613019 0.4039649 ] [ 2.279761 4.306527 2.243044 ] [ 4.11856 1.980977 2.568835 ] [ 3.209467 2.952847 0.6643367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724599e-10 2.153048e-10 2.374712e-10 ] [ 8.645185e-11 3.613019e-10 4.039649e-11 ] [ 2.279761e-10 4.306527e-10 2.243044e-10 ] [ 4.118560000000001e-10 1.980977e-10 2.568835e-10 ] [ 3.209467e-10 2.952847e-10 6.643367000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7129273 -2.7724257 1.9216407 ] [ -1.1045648 0.1709047 -0.851412 ] [ -0.246541 3.5953635 1.4598744 ] [ 0.6802539 -0.8000872 0.5261232 ] [ 2.3837792 -0.1937553 -3.0562263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.744412073190068e-09 -4.441915639445074e-09 3.078807803117746e-09 ] [ -1.769707898718628e-09 2.738195147248378e-10 -1.36411240106857e-09 ] [ -3.950022262686528e-10 5.760407342977661e-09 2.338976632984428e-09 ] [ 1.089886894788021e-09 -1.281881006441334e-09 8.429422907004827e-10 ] [ 3.819235303389328e-09 -3.104302118160902e-10 -4.896614325734087e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7928034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.408762403877075e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.328138 2.0553455 2.6921306 ] [ 1.0638967 3.2182121 0.5219769 ] [ 2.4915472 4.3587531 2.3720229 ] [ 3.7887827 2.1056182 2.4194567 ] [ 3.5245409 3.2684891 0.2493055 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.328138e-10 2.0553455e-10 2.6921306e-10 ] [ 1.0638967e-10 3.2182121e-10 5.219769e-11 ] [ 2.4915472e-10 4.3587531e-10 2.3720229e-10 ] [ 3.7887827e-10 2.1056182e-10 2.4194567e-10 ] [ 3.5245409e-10 3.2684891e-10 2.493055e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -7e-07 -0.0 ] [ -3e-07 6e-07 6e-07 ] [ 0.0 -0.0 -1.2e-06 ] [ -1e-07 -1e-07 4e-07 ] [ 4e-07 2e-07 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 -1.12152363456e-15 0.0 ] [ -4.8065298624e-16 9.6130597248e-16 9.6130597248e-16 ] [ 0.0 0.0 -1.92261194496e-15 ] [ -1.6021766208e-16 -1.6021766208e-16 6.408706483200001e-16 ] [ 6.408706483200001e-16 3.2043532416e-16 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.344766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657414223284673e-18 } }