{ "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" [ [ 1.718051 2.8648 0.868268 ] [ 1.578738 2.123399 2.800363 ] [ 1.502934 5.103369 1.611601 ] [ 2.373634 3.880614 3.837999 ] [ 3.381701 1.593797 3.943141 ] [ 3.548939 3.24359 2.048233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.718051e-10 2.8648e-10 8.682680000000001e-11 ] [ 1.578738e-10 2.123399e-10 2.800363e-10 ] [ 1.502934e-10 5.103369e-10 1.611601e-10 ] [ 2.373634e-10 3.880614e-10 3.837999e-10 ] [ 3.381701e-10 1.593797e-10 3.943141e-10 ] [ 3.548939e-10 3.24359e-10 2.048233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.910512 -1.9560228 -10.3572254 ] [ -18.1903185 -11.7375933 3.3199829 ] [ 8.7827345 -6.144174 7.7012662 ] [ -6.1335621 18.0399007 1.3900381 ] [ 8.6543172 -13.8142579 7.9642117 ] [ 11.7973408 15.6121473 -10.0182736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.867507522557849e-09 -3.133893999911754e-09 -1.659410439223593e-08 ] [ -2.914410302560573e-08 -1.880569756971872e-08 5.319198983835784e-09 ] [ 1.407149188259358e-08 -9.844051936927217e-09 1.233878865619726e-08 ] [ -9.82704979884495e-09 2.890310714309356e-08 2.227086545841252e-09 ] [ 1.386574468682732e-08 -2.21328810410817e-08 1.276007378884182e-08 ] [ 1.890142361736997e-08 2.501341740454584e-08 -1.605104374269785e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.621029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.022111759423881e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3588455 2.9886475 0.5781241 ] [ 1.5236859 1.766378 2.740065 ] [ 1.9446386 5.1360649 1.7439299 ] [ 2.111213 3.9193086 3.9088361 ] [ 3.6331384 1.88404 4.1778803 ] [ 3.5324756 3.11513 1.9607697 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3588455e-10 2.9886475e-10 5.781241000000001e-11 ] [ 1.5236859e-10 1.766378e-10 2.740065e-10 ] [ 1.9446386e-10 5.1360649e-10 1.7439299e-10 ] [ 2.111213e-10 3.9193086e-10 3.9088361e-10 ] [ 3.6331384e-10 1.88404e-10 4.1778803e-10 ] [ 3.5324756e-10 3.11513e-10 1.9607697e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.82e-05 -2.01e-05 2e-07 ] [ -9.2e-06 -9.6e-06 -2.55e-05 ] [ 3.85e-05 1.06e-05 2.14e-05 ] [ -3.57e-05 2.69e-05 -2.9e-05 ] [ 4.77e-05 -1.58e-05 1.55e-05 ] [ -1.31e-05 8.1e-06 1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.518138070656001e-14 -3.220375007808e-14 3.2043532416e-16 ] [ -1.474002491136e-14 -1.538089555968e-14 -4.08555038304e-14 ] [ 6.16837999008e-14 1.698307218048e-14 3.428657968511999e-14 ] [ -5.719770536256001e-14 4.309855109952001e-14 -4.64631220032e-14 ] [ 7.642382481215999e-14 -2.531439060864e-14 2.48337376224e-14 ] [ -2.098851373248e-14 1.297763062848e-14 2.787787320192e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.556334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453705436495615e-18 } }