{ "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" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.3809029 3.9022379 -31.843907 ] [ -15.9195147 -19.8527309 14.6886325 ] [ 18.8236385 10.2086213 34.119976 ] [ -29.3703344 17.9120376 5.0483077 ] [ 18.441901 -29.937756 -11.1066082 ] [ 20.4052124 17.76759 -10.906401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.983639317077492e-08 6.252074332179688e-09 -5.101956331032947e-08 ] [ -2.550587426682193e-08 -3.180758130701375e-08 2.353378358302306e-08 ] [ 3.015879352309078e-08 1.635601437746091e-08 5.466622784945711e-08 ] [ -4.705646312075799e-08 2.869824787361055e-08 8.088280571544619e-09 ] [ 2.954718262530814e-08 -4.796557274241493e-08 -1.779474799442557e-08 ] [ 3.269275424973826e-08 2.846681730595987e-08 -1.747398069926974e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.715542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.158778045880047e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0155949 3.1953027 0.9230718 ] [ 1.6543006 1.869348 4.0206464 ] [ 3.4406078 3.4206295 4.347751 ] [ 0.2062441 3.3635412 2.6377015 ] [ 2.4688846 0.9227021 1.8567833 ] [ 3.6956524 4.3564835 2.161395 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0155949e-10 3.1953027e-10 9.230718e-11 ] [ 1.6543006e-10 1.869348e-10 4.0206464e-10 ] [ 3.4406078e-10 3.4206295e-10 4.347751e-10 ] [ 2.062441e-11 3.3635412e-10 2.6377015e-10 ] [ 2.4688846e-10 9.227021e-11 1.8567833e-10 ] [ 3.6956524e-10 4.3564835e-10 2.161395e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-05 1.13e-05 -4.29e-05 ] [ -4.83e-05 -1.46e-05 6.82e-05 ] [ 3.08e-05 -1.58e-05 -3.57e-05 ] [ -4.6e-06 1.09e-05 4e-07 ] [ 2e-05 -2.58e-05 -7.1e-06 ] [ -1.39e-05 3.4e-05 1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-14 1.810459581504e-14 -6.873337703232e-14 ] [ -7.738513078464e-14 -2.339177866368e-14 1.0926844553856e-13 ] [ 4.934703992064001e-14 -2.531439060864e-14 -5.719770536256001e-14 ] [ -7.370012455680001e-15 1.746372516672e-14 6.408706483200001e-16 ] [ 3.2043532416e-14 -4.133615681664e-14 -1.137545400768e-14 ] [ -2.227025502912e-14 5.44740051072e-14 2.72370025536e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.132746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104097860810472e-18 } }