{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8883696 -0.2460305 -0.007845 ] [ -2.6795836 0.9062766 -0.259725 ] [ -0.7318411 -0.522569 0.2875193 ] [ -1.6914096 0.7851717 1.3228767 ] [ 1.9106934 -0.7031569 -0.2793785 ] [ 2.0222189 0.0125113 -0.6651295 ] [ 0.2815524 -0.2322032 -0.398318 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.423325003749448e-09 -3.941843151037344e-10 -1.2569075590176e-11 ] [ -4.293166197399098e-09 1.452015180498113e-09 -4.1612532283728e-10 ] [ -1.172538700560555e-09 -8.372478345548351e-10 4.606567004887814e-10 ] [ -2.70993691731668e-09 1.257983741053791e-09 2.119482120941055e-09 ] [ 3.061268294996863e-09 -1.126581545934204e-09 -4.476137010541727e-10 ] [ 3.239951843719893e-09 2.004531235581504e-11 -1.065654934704394e-09 ] [ 4.510966728101299e-10 -3.720305383149465e-10 -6.381757872438144e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.055163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.213191328493319e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1252995 2.6904253 1.075188 ] [ 1.7984266 4.9119973 1.9023763 ] [ 2.2343189 3.0575698 3.4373464 ] [ 4.4673459 3.077555 0.8778051 ] [ 4.613972 2.8906858 3.2479509 ] [ 4.0242571 5.3995242 1.1713054 ] [ 3.6379491 5.0600216 3.5083921 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1252995e-10 2.6904253e-10 1.075188e-10 ] [ 1.7984266e-10 4.911997300000001e-10 1.9023763e-10 ] [ 2.2343189e-10 3.0575698e-10 3.4373464e-10 ] [ 4.4673459e-10 3.077555e-10 8.778051e-11 ] [ 4.613972000000001e-10 2.8906858e-10 3.247950900000001e-10 ] [ 4.0242571e-10 5.3995242e-10 1.1713054e-10 ] [ 3.6379491e-10 5.0600216e-10 3.5083921e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 3e-07 1.6e-06 ] [ -1.6e-06 2.3e-06 2.6e-06 ] [ 6e-07 3e-07 -2.6e-06 ] [ -3.3e-06 2.6e-06 3.8e-06 ] [ 6e-07 -1.4e-06 -2.4e-06 ] [ 1.2e-06 -4.2e-06 -4e-07 ] [ -2.1e-06 0.0 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 4.8065298624e-16 2.56348259328e-15 ] [ -2.56348259328e-15 3.68500622784e-15 4.16565921408e-15 ] [ 9.6130597248e-16 4.8065298624e-16 -4.16565921408e-15 ] [ -5.28718284864e-15 4.16565921408e-15 6.08827115904e-15 ] [ 9.6130597248e-16 -2.24304726912e-15 -3.84522388992e-15 ] [ 1.92261194496e-15 -6.72914180736e-15 -6.408706483200001e-16 ] [ -3.36457090368e-15 0.0 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }