{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.413305 1.605976 1.085725 ] [ 1.596802 1.851301 3.402769 ] [ 1.403818 3.874197 1.795071 ] [ 3.61937 1.350758 2.07249 ] [ 3.606514 2.808679 3.770695 ] [ 3.997077 3.808366 1.42443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.413305e-10 1.605976e-10 1.085725e-10 ] [ 1.596802e-10 1.851301e-10 3.402769e-10 ] [ 1.403818e-10 3.874197e-10 1.795071e-10 ] [ 3.61937e-10 1.350758e-10 2.07249e-10 ] [ 3.606514e-10 2.808679e-10 3.770695e-10 ] [ 3.997077e-10 3.808366e-10 1.42443e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1558292 -0.6135403 -0.9539302 ] [ -1.817225 -0.075391 1.2984038 ] [ 0.3161039 0.6135601 -0.1462467 ] [ 1.1038992 -1.3560306 -1.9923464 ] [ 1.1203223 1.5356271 1.4368247 ] [ -0.5672713 -0.1042252 0.3572948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.496659010779674e-10 -9.829999245786183e-10 -1.528364664315068e-09 ] [ -2.91151540973328e-09 -1.207896976187328e-10 2.080272212717879e-09 ] [ 5.064542783237011e-10 9.830316476757101e-10 -2.343130436091514e-10 ] [ 1.768641489959823e-09 -2.172600524409397e-09 -3.192090822615045e-09 ] [ 1.794954196820884e-09 2.460345837886904e-09 2.302046942527974e-09 ] [ -9.088688145108231e-10 -1.669871787382042e-10 5.72449375293412e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.239582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.121214874956451e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5310528 1.3382988 1.3400067 ] [ 1.3103467 2.3876682 3.5859376 ] [ 1.438036 3.816287 1.552016 ] [ 3.8903904 1.4098728 1.5384401 ] [ 3.6696866 2.4592696 3.7843475 ] [ 3.7973735 3.8878806 1.7504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5310528e-10 1.3382988e-10 1.3400067e-10 ] [ 1.3103467e-10 2.3876682e-10 3.5859376e-10 ] [ 1.438036e-10 3.816287e-10 1.552016e-10 ] [ 3.8903904e-10 1.4098728e-10 1.5384401e-10 ] [ 3.6696866e-10 2.4592696e-10 3.7843475e-10 ] [ 3.7973735e-10 3.8878806e-10 1.7504322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.12e-05 -1.89e-05 1.42e-05 ] [ 3.1e-06 7.4e-06 -8e-07 ] [ 3.2e-06 1.4e-05 4.5e-06 ] [ 1.9e-06 8.4e-06 -2.29e-05 ] [ -2.2e-05 -8.6e-06 1.57e-05 ] [ 2.5e-06 -2.4e-06 -1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.794437815296e-14 -3.028113813312e-14 2.275090801536e-14 ] [ 4.96674752448e-15 1.185610699392e-14 -1.28174129664e-15 ] [ 5.126965186560001e-15 2.24304726912e-14 7.2097947936e-15 ] [ 3.04413557952e-15 1.345828361472e-14 -3.668984461632e-14 ] [ -3.52478856576e-14 -1.377871893888e-14 2.515417294656e-14 ] [ 4.005441552e-15 -3.84522388992e-15 -1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }