{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.235296 0.1194615 1.060663 ] [ 0.5951279 1.958954 0.23753 ] [ 0.7849876 2.237774 2.150251 ] [ 2.634784 1.158802 0.6457174 ] [ 2.006718 1.111823 2.877883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.235296e-10 1.194615e-11 1.060663e-10 ] [ 5.951279e-11 1.958954e-10 2.3753e-11 ] [ 7.849876000000001e-11 2.237774e-10 2.150251e-10 ] [ 2.634784e-10 1.158802e-10 6.457174e-11 ] [ 2.006718e-10 1.111823e-10 2.877883e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0414312 -36.8088696 -5.4562547 ] [ -9.9982963 7.1931291 -13.4978201 ] [ -13.2898949 28.0566987 12.0995859 ] [ 27.0716496 9.2727743 -17.446133 ] [ 8.2579729 -7.7137325 24.3006219 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.929249954961169e-08 -5.897431031119585e-08 -8.741883717470117e-09 ] [ -1.601903657969115e-08 1.152466327441615e-08 -2.162589179598432e-08 ] [ -2.129275890166915e-08 4.495178671396975e-08 1.938567365034133e-08 ] [ 4.337356407560967e-08 1.485662219341509e-08 -2.795178641596737e-08 ] [ 1.323073111557998e-08 -1.235876187060514e-08 3.893388827908048e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.7430738 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.599241953089016e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5234642 0.514167 -0.4644919 ] [ 0.0080148 1.7189442 0.59097 ] [ 0.3107832 2.4174714 2.655106 ] [ 3.5479524 -0.2084491 -0.0001049 ] [ 1.866699 2.1446811 4.1905653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5234642e-10 5.14167e-11 -4.644919e-11 ] [ 8.014800000000001e-13 1.7189442e-10 5.909700000000001e-11 ] [ 3.107832e-11 2.4174714e-10 2.655106e-10 ] [ 3.5479524e-10 -2.084491e-11 -1.049e-14 ] [ 1.866699e-10 2.1446811e-10 4.190565300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.400184 0.265094 0.1079619 ] [ 0.3218449 -0.3345491 -0.4160928 ] [ 0.2351033 0.0605803 0.540946 ] [ 0.1680188 -0.1500818 -0.1519087 ] [ -0.324783 0.1589566 -0.0809065 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.411654488182272e-10 4.247274091143552e-10 1.729740321171475e-10 ] [ 5.156523743037139e-10 -5.360067465296813e-10 -6.666541562432102e-10 ] [ 3.766770107329287e-10 9.706034034105023e-11 8.666910343152768e-10 ] [ 2.69195793214871e-10 -2.404575511675814e-10 -2.43384567636121e-10 ] [ -5.203597294332863e-10 2.546765482418573e-10 -1.296265027707552e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.73678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.720221789867302e-18 } }