{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.2798454 17.0586491 11.9199045 ] [ 27.1246367 -9.7865312 -20.4021311 ] [ -8.201949 -24.6893943 -13.5391421 ] [ 7.2838592 -5.7596784 9.2034894 ] [ -11.7258049 -18.8866323 24.2939448 ] [ -8.6743643 9.9482851 -19.1802989 ] [ 16.4734676 32.115302 7.7042334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.569624741491843e-08 2.733096877045096e-08 1.909779231206871e-08 ] [ 4.345845876843366e-08 -1.567975148736977e-08 -3.268781746291658e-08 ] [ -1.314097093279394e-08 -3.955677032917278e-08 -2.169209693830902e-08 ] [ 1.167002891943899e-08 -9.228022075806753e-09 1.474561554646062e-08 ] [ -1.878681047084208e-08 -3.025972071670613e-08 3.892319038556573e-08 ] [ -1.389786368176216e-08 1.593890980427299e-08 -3.073022647753596e-08 ] [ 2.639340465222629e-08 5.145438603433149e-08 1.234354263466649e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.038981 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.928857389645541e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6957813 4.2249935 3.4503196 ] [ 5.8795714 1.6731065 1.7964148 ] [ 3.4876281 1.3855195 1.5707468 ] [ 5.6737257 2.4985562 4.0616464 ] [ 3.2370501 1.8296391 4.0456286 ] [ 2.5832758 3.5840992 1.1197365 ] [ 5.0030736 4.816124 3.8769167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6957813e-10 4.2249935e-10 3.4503196e-10 ] [ 5.8795714e-10 1.6731065e-10 1.7964148e-10 ] [ 3.4876281e-10 1.3855195e-10 1.5707468e-10 ] [ 5.6737257e-10 2.4985562e-10 4.0616464e-10 ] [ 3.2370501e-10 1.8296391e-10 4.0456286e-10 ] [ 2.5832758e-10 3.5840992e-10 1.1197365e-10 ] [ 5.003073599999999e-10 4.816124000000001e-10 3.8769167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 5.3e-06 9.5e-06 ] [ 1e-06 -7.7e-06 -1.71e-05 ] [ 1.19e-05 -1.9e-05 -1.3e-05 ] [ -1.56e-05 6.9e-06 3e-07 ] [ -8e-07 1.2e-06 2.07e-05 ] [ 4.9e-06 8.8e-06 -3.9e-06 ] [ 3.2e-06 4.7e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012455680001e-15 8.491536090240001e-15 1.52206778976e-14 ] [ 1.6021766208e-15 -1.233675998016e-14 -2.739722021568e-14 ] [ 1.906590178752e-14 -3.04413557952e-14 -2.08282960704e-14 ] [ -2.499395528448e-14 1.105501868352e-14 4.8065298624e-16 ] [ -1.28174129664e-15 1.92261194496e-15 3.316505605055999e-14 ] [ 7.850665441919999e-15 1.409915426304e-14 -6.24848882112e-15 ] [ 5.126965186560001e-15 7.53023011776e-15 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.350653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619663397141338e-18 } }