{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.402008 -6.6829159 -2.271675 ] [ -5.1531933 1.7422613 5.2283717 ] [ -4.6750834 1.4320129 -1.854255 ] [ 2.7164323 -2.6163326 -2.6619471 ] [ 5.7290345 -2.3192888 3.9412918 ] [ 1.5531185 0.0149703 -5.4644535 ] [ 5.2316994 8.4292928 3.0826671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.654970922974567e-09 -1.070721161375259e-08 -3.63962457505584e-09 ] [ -8.2563258277232e-09 2.791410322184615e-09 8.376774902592353e-09 ] [ -7.490309323770175e-09 2.294337589064008e-09 -2.970844010001504e-09 ] [ 4.352204323045973e-09 -4.191826923956878e-09 -4.26490940942636e-09 ] [ 9.17892513565662e-09 -3.715910292243287e-09 6.31464557771075e-09 ] [ 2.488370150031965e-09 2.398506466636224e-11 -8.755019643148734e-09 ] [ 8.382106465733387e-09 1.350521585403777e-08 4.938977157329336e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.010455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.603851696457047e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8786254 1.3269372 2.6762216 ] [ 2.1612592 3.1961058 4.2909827 ] [ 1.478721 3.5602489 1.9281417 ] [ 4.0549273 1.5461903 2.0224749 ] [ 4.4687074 2.282208 4.1435148 ] [ 3.670226 3.6945203 1.3027933 ] [ 4.0687387 4.5154944 3.3953861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8786254e-10 1.3269372e-10 2.6762216e-10 ] [ 2.1612592e-10 3.1961058e-10 4.2909827e-10 ] [ 1.478721e-10 3.5602489e-10 1.9281417e-10 ] [ 4.0549273e-10 1.5461903e-10 2.0224749e-10 ] [ 4.468707400000001e-10 2.282208e-10 4.1435148e-10 ] [ 3.670226e-10 3.6945203e-10 1.3027933e-10 ] [ 4.0687387e-10 4.5154944e-10 3.3953861e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -5.23e-05 2e-07 ] [ -9.4e-06 4e-05 4.13e-05 ] [ 1.51e-05 -8.9e-06 -1.93e-05 ] [ -7.7e-06 -3.7e-06 -2.26e-05 ] [ -2.46e-05 1.3e-06 -5.9e-06 ] [ -1.1e-05 1.39e-05 -2.38e-05 ] [ 2.87e-05 9.7e-06 3.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 -8.379383726784e-14 3.2043532416e-16 ] [ -1.506046023552e-14 6.4087064832e-14 6.616989443904001e-14 ] [ 2.419286697408e-14 -1.425937192512e-14 -3.092200878144e-14 ] [ -1.233675998016e-14 -5.928053496960001e-15 -3.620919163008e-14 ] [ -3.941354487168e-14 2.08282960704e-15 -9.45284206272e-15 ] [ -1.76239428288e-14 2.227025502912e-14 -3.813180357504e-14 ] [ 4.598246901696e-14 1.554111322176e-14 4.838573394816e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }