{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2209932 0.3531174 -3.5894111 ] [ 2.8493256 2.6141556 -1.4120138 ] [ -3.2842419 -1.7835555 -0.6822875 ] [ 0.0874096 -1.2177664 -0.6147402 ] [ 1.6269045 -1.4209603 4.688588 ] [ -1.4687514 0.7986276 1.5923091 ] [ 0.4103468 0.6563816 0.0175556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.540701383957786e-10 5.65756442677682e-10 -5.750870546860011e-09 ] [ 4.565122861366932e-09 4.188338985453397e-09 -2.262295498606967e-09 ] [ -5.261935589231771e-09 -2.857570923999255e-09 -1.09314508116408e-09 ] [ 1.400456175534797e-10 -1.951076855675781e-09 -9.84922376305916e-10 ] [ 2.606588354174313e-09 -2.276629371744954e-09 7.51194607816343e-09 ] [ -2.353199154847269e-09 1.279542469445614e-09 2.55116041310709e-09 ] [ 6.574480493800935e-10 1.051639253843297e-09 2.812717188411648e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -21.17569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.392719544730835e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5795783 2.5023221 2.0137685 ] [ 2.7388522 4.7470752 3.8013621 ] [ 0.9306422 3.0163261 3.906579 ] [ 4.8371163 2.7500736 0.8271457 ] [ 3.1991244 2.2975938 4.5938971 ] [ 3.6758884 4.85473 1.4246324 ] [ 4.9979134 3.4838692 3.2170983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5795783e-10 2.5023221e-10 2.0137685e-10 ] [ 2.7388522e-10 4.7470752e-10 3.8013621e-10 ] [ 9.306422e-11 3.0163261e-10 3.906579e-10 ] [ 4.8371163e-10 2.7500736e-10 8.271457e-11 ] [ 3.1991244e-10 2.2975938e-10 4.593897100000001e-10 ] [ 3.6758884e-10 4.85473e-10 1.4246324e-10 ] [ 4.9979134e-10 3.4838692e-10 3.2170983e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.71e-05 2.7e-06 -3.2e-06 ] [ -1.1e-05 1.68e-05 5.6e-06 ] [ -3.39e-05 9.3e-06 -1.7e-06 ] [ -1.02e-05 1.19e-05 9.8e-06 ] [ 1.96e-05 -1.82e-05 4.9e-06 ] [ 1.32e-05 -2.96e-05 1.07e-05 ] [ 5.2e-06 7e-06 -2.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.739722021568e-14 4.32587687616e-15 -5.126965186560001e-15 ] [ -1.76239428288e-14 2.691656722944e-14 8.972189076479999e-15 ] [ -5.431378744512e-14 1.490024257344e-14 -2.72370025536e-15 ] [ -1.634220153216e-14 1.906590178752e-14 1.570133088384e-14 ] [ 3.140266176767999e-14 -2.915961449856e-14 7.850665441919999e-15 ] [ 2.114873139456e-14 -4.742442797568e-14 1.714328984256e-14 ] [ 8.33131842816e-15 1.12152363456e-14 -4.181680980288e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.579661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.777878158058956e-18 } }