{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6429908 -2.686134 -0.6868289 ] [ 0.3820897 -4.3730562 6.4109605 ] [ -2.7056411 6.2319321 -7.4019719 ] [ -0.1671742 1.4525207 2.6403178 ] [ 0.6651662 -0.2841935 -2.3724168 ] [ -0.7562262 -1.5564053 1.0498996 ] [ 1.9387948 1.2153362 0.3600397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.030184827149489e-09 -4.303661095135987e-09 -1.100421206069781e-09 ] [ 6.121751843884857e-10 -7.006408405084489e-09 1.027149102997228e-08 ] [ -4.334914914695595e-09 9.984655913033049e-09 -1.185926632599856e-08 ] [ -2.678425948409434e-10 2.327194706768051e-09 4.23025545064209e-09 ] [ 1.065713734586377e-09 -4.553281814833248e-10 -3.80103073175315e-09 ] [ -1.211607937676425e-09 -2.49363618414921e-09 1.682124593307272e-09 ] [ 3.106291701088612e-09 1.947183246051913e-09 5.768471898998458e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.804716 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.012847633598369e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5552612 1.6676044 2.1472302 ] [ 2.6719615 2.7201017 4.3500468 ] [ 2.4064051 4.1081376 2.2352033 ] [ 4.7139581 2.8009323 2.0889595 ] [ 5.1099492 2.819596 4.4781783 ] [ 4.5499197 5.2106872 1.8098625 ] [ 3.8803011 4.8959628 4.1356754 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5552612e-10 1.6676044e-10 2.1472302e-10 ] [ 2.6719615e-10 2.7201017e-10 4.350046800000001e-10 ] [ 2.4064051e-10 4.1081376e-10 2.2352033e-10 ] [ 4.7139581e-10 2.8009323e-10 2.0889595e-10 ] [ 5.1099492e-10 2.819596000000001e-10 4.4781783e-10 ] [ 4.5499197e-10 5.2106872e-10 1.8098625e-10 ] [ 3.8803011e-10 4.8959628e-10 4.135675400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0357036 0.0201124 0.0022444 ] [ 0.0753809 0.0112877 -0.1132804 ] [ -0.03036 -0.0145832 0.0180366 ] [ -0.0651039 -0.0551307 0.060887 ] [ -0.0160189 -0.0285848 0.0153267 ] [ -0.0100023 0.0164994 -0.0344063 ] [ 0.0104007 0.0503993 0.0511921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.720347319839489e-11 3.222361706817792e-11 3.59592520772352e-12 ] [ 1.207735156348627e-10 1.808488904260416e-11 -1.814952084748723e-10 ] [ -4.864208220748801e-11 -2.336486209645056e-11 2.889781883872128e-11 ] [ -1.043079465029011e-10 -8.832911862833856e-11 9.75517279106496e-11 ] [ -2.566510707093312e-11 -4.579789827024384e-11 2.455608041401536e-11 ] [ -1.602545121422784e-11 2.643495293722752e-11 -5.512496946823104e-11 ] [ 1.666375837995456e-11 8.074858016468544e-11 8.201878578965568e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.220945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.560187857108266e-18 } }