{ "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" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4565885 0.1690585 -1.8372821 ] [ -3.3850243 -3.1777545 1.2179133 ] [ 3.6487197 4.4587322 8.5647015 ] [ -3.6323736 2.1066047 -0.2122086 ] [ 2.0795251 -4.4547301 -5.2239015 ] [ 0.8325646 0.8980892 -2.5092227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.315354200261409e-10 2.708615762475168e-10 -2.943650426434327e-09 ] [ -5.423406794299885e-09 -5.091323966541993e-09 1.951312215421377e-09 ] [ 5.845893399192389e-09 7.14367648924815e-09 1.372216450743069e-08 ] [ -5.819704059931131e-09 3.375152799607398e-09 -3.399956576526989e-10 ] [ 3.331766497586782e-09 -7.137264418194046e-09 -8.369612852662052e-09 ] [ 1.333915537425704e-09 1.438897519632975e-09 -4.020217946320652e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.454110279081938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.136271355610045e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7571428 3.2682888 0.9626047 ] [ 1.409194 1.5138847 3.8928896 ] [ 2.8040101 3.3920516 4.0329618 ] [ 0.6462927 3.5910718 3.0830055 ] [ 3.0020492 1.595301 2.080224 ] [ 3.8625955 3.7674091 1.8956633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7571428e-10 3.2682888e-10 9.626047e-11 ] [ 1.409194e-10 1.5138847e-10 3.8928896e-10 ] [ 2.8040101e-10 3.3920516e-10 4.0329618e-10 ] [ 6.462927e-11 3.5910718e-10 3.0830055e-10 ] [ 3.0020492e-10 1.595301e-10 2.080224e-10 ] [ 3.8625955e-10 3.7674091e-10 1.8956633e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 -1.31e-05 7.5e-06 ] [ 3.3e-06 -2.96e-05 -2.4e-06 ] [ -3.63e-05 1.4e-06 1.87e-05 ] [ 1.58e-05 2.72e-05 4.7e-06 ] [ 4.7e-06 1.78e-05 1e-06 ] [ 1.82e-05 -3.7e-06 -2.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 -2.098851373248e-14 1.2016324656e-14 ] [ 5.28718284864e-15 -4.742442797568e-14 -3.84522388992e-15 ] [ -5.815901133504e-14 2.24304726912e-15 2.996070280896e-14 ] [ 2.531439060864e-14 4.357920408576e-14 7.53023011776e-15 ] [ 7.53023011776e-15 2.851874385024e-14 1.6021766208e-15 ] [ 2.915961449856e-14 -5.928053496960001e-15 -4.742442797568e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }