{ "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" [ [ 0.8888047 2.050538 1.655197 ] [ 2.913325 1.361036 3.047712 ] [ 2.022581 2.448681 4.72594 ] [ 1.815806 3.470528 2.839754 ] [ 4.233041 2.418243 4.364549 ] [ 4.034854 4.068796 2.809397 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.888047000000001e-11 2.050538e-10 1.655197e-10 ] [ 2.913325e-10 1.361036e-10 3.047712e-10 ] [ 2.022581e-10 2.448681e-10 4.72594e-10 ] [ 1.815806e-10 3.470528e-10 2.839754e-10 ] [ 4.233041e-10 2.418243e-10 4.364549e-10 ] [ 4.034854000000001e-10 4.068796e-10 2.809397e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0744675 -2.6423719 -1.883351 ] [ -0.7296312 -3.0072009 -3.6441373 ] [ -2.257528 -0.0745497 4.0865564 ] [ 0.7975242 4.5425374 0.1504531 ] [ 3.2343706 1.1627366 1.7093775 ] [ 0.0297319 0.0188486 -0.4188987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.721486708309424e-09 -4.233546481638875e-09 -3.017460940960301e-09 ] [ -1.168998050446249e-09 -4.818066976028719e-09 -5.838551585045237e-09 ] [ -3.616958582401383e-09 -1.194417864276538e-10 6.547385123660614e-09 ] [ 1.277774627762223e-09 7.277947221389617e-09 2.410524393468845e-10 ] [ 5.182032958322868e-09 1.862909396668481e-09 2.738724666621552e-09 ] [ 4.763575507196352e-11 3.019878625481088e-11 -6.711497036235131e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.30952993049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.506804722070017e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4887455 2.3237366 2.0746242 ] [ 3.3157465 1.1191402 2.9846475 ] [ 1.6437125 1.9967131 4.4168815 ] [ 1.9870582 4.153467 3.4962032 ] [ 3.8140577 2.9488726 4.4062255 ] [ 3.6590913 3.2758924 2.0639671 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4887455e-10 2.3237366e-10 2.0746242e-10 ] [ 3.3157465e-10 1.1191402e-10 2.9846475e-10 ] [ 1.6437125e-10 1.9967131e-10 4.4168815e-10 ] [ 1.9870582e-10 4.153467e-10 3.4962032e-10 ] [ 3.814057700000001e-10 2.9488726e-10 4.4062255e-10 ] [ 3.6590913e-10 3.2758924e-10 2.0639671e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.9e-06 -1.24e-05 1.57e-05 ] [ -1.65e-05 9.9e-06 2.1e-06 ] [ 9.2e-06 3e-06 -2.31e-05 ] [ 1e-05 -6.2e-06 -8.1e-06 ] [ 9e-07 2e-07 -1.47e-05 ] [ -8.6e-06 5.4e-06 2.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.850665441919999e-15 -1.986699009792e-14 2.515417294656e-14 ] [ -2.64359142432e-14 1.586154854592e-14 3.36457090368e-15 ] [ 1.474002491136e-14 4.8065298624e-15 -3.701027994048e-14 ] [ 1.6021766208e-14 -9.93349504896e-15 -1.297763062848e-14 ] [ 1.44195895872e-15 3.2043532416e-16 -2.355199632576e-14 ] [ -1.377871893888e-14 8.65175375232e-15 4.48609453824e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }