{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7802136 -1.6088236 -7.9867135 ] [ -1.9141989 0.6071944 5.0147927 ] [ -0.571126 -3.2663241 0.6602878 ] [ -1.9739448 4.6189631 -0.3557452 ] [ 7.2394833 -0.3510099 2.6673782 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.454393230750204e-09 -2.577619558911291e-09 -1.279612564672774e-08 ] [ -3.066884725141077e-09 9.728326719606835e-10 8.034583622098509e-09 ] [ -9.150447247310209e-10 -5.233228108975601e-09 1.057897676159466e-09 ] [ -3.162608209309732e-09 7.400394691157893e-09 -5.699666424018201e-10 ] [ 1.159893088993203e-08 -5.62379855449346e-10 4.273610990871587e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7053673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.53882948033682e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.755494 2.4713999 -0.1563396 ] [ 2.6905854 3.9449548 3.0245701 ] [ 3.1757277 1.0693094 0.8660384 ] [ 1.4556602 4.2486455 1.1777055 ] [ 3.7536496 1.9800202 2.8319456 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.755494e-10 2.4713999e-10 -1.563396e-11 ] [ 2.6905854e-10 3.9449548e-10 3.0245701e-10 ] [ 3.1757277e-10 1.0693094e-10 8.660384e-11 ] [ 1.4556602e-10 4.2486455e-10 1.1777055e-10 ] [ 3.7536496e-10 1.9800202e-10 2.8319456e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -5e-07 6e-07 ] [ 2e-07 -2.8e-06 -3.1e-06 ] [ -2e-06 6.6e-06 3e-06 ] [ -1.3e-06 3e-07 -1.7e-06 ] [ 2.6e-06 -3.6e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-16 -8.010883104e-16 9.6130597248e-16 ] [ 3.2043532416e-16 -4.48609453824e-15 -4.96674752448e-15 ] [ -3.2043532416e-15 1.057436569728e-14 4.8065298624e-15 ] [ -2.08282960704e-15 4.8065298624e-16 -2.72370025536e-15 ] [ 4.16565921408e-15 -5.76783583488e-15 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9680601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.436841622614931e-18 } }