{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6982042 -1.8631031 -2.4773544 ] [ -2.2121983 -0.7250373 -0.132413 ] [ -2.2162798 1.4886991 0.9513768 ] [ -1.3960136 -3.2349948 -0.0509659 ] [ 1.9569188 2.742739 -1.2976864 ] [ 1.2473109 0.4913755 0.8349092 ] [ 1.9220578 1.1003215 2.1721337 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.118646445784367e-09 -2.985020228960005e-09 -3.969159301116012e-09 ] [ -3.544332396833504e-09 -1.161637811267956e-09 -2.121490128899904e-10 ] [ -3.5508716807113e-09 2.385158893426001e-09 1.524273666531518e-09 ] [ -2.236660352238843e-09 -5.183033036969572e-09 -8.165637343803073e-11 ] [ 3.135329550163991e-09 4.39435230275637e-09 -2.079122811210117e-09 ] [ 1.998412362849007e-09 7.872703381339105e-10 1.337672000730831e-09 ] [ 3.079476070986282e-09 1.762909382663587e-09 3.480141831391801e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.109533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.221902362780608e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.913454 1.9219375 0.911321 ] [ 1.822701 0.9161874 3.836936 ] [ 2.0251579 3.0032957 2.7929002 ] [ 3.8795314 0.29119 2.4147575 ] [ 5.1110777 2.2692984 1.7626386 ] [ 4.014717 1.1212002 4.6405249 ] [ 4.1999519 3.2641656 3.6887848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.913454e-10 1.9219375e-10 9.113210000000001e-11 ] [ 1.822701e-10 9.161874e-11 3.836936e-10 ] [ 2.0251579e-10 3.0032957e-10 2.7929002e-10 ] [ 3.8795314e-10 2.9119e-11 2.4147575e-10 ] [ 5.1110777e-10 2.2692984e-10 1.7626386e-10 ] [ 4.014717e-10 1.1212002e-10 4.6405249e-10 ] [ 4.1999519e-10 3.2641656e-10 3.6887848e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 4.9e-06 -8e-07 ] [ 3.4e-06 1.2e-05 4.04e-05 ] [ -2.3e-06 6.6e-06 7.4e-06 ] [ 1.81e-05 -6.5e-06 -1.51e-05 ] [ 3.57e-05 -2.38e-05 2.03e-05 ] [ -9.9e-06 -1.36e-05 -4.4e-05 ] [ -3.82e-05 2.03e-05 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-14 7.850665441919999e-15 -1.28174129664e-15 ] [ 5.44740051072e-15 1.92261194496e-14 6.472793548032e-14 ] [ -3.68500622784e-15 1.057436569728e-14 1.185610699392e-14 ] [ 2.899939683648e-14 -1.04141480352e-14 -2.419286697408e-14 ] [ 5.719770536256001e-14 -3.813180357504e-14 3.252418540224e-14 ] [ -1.586154854592e-14 -2.178960204288e-14 -7.04957713152e-14 ] [ -6.120314691456e-14 3.252418540224e-14 -1.313784829056e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.535972 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.610660746540342e-18 } }