{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0016739 -0.5862953 -0.2141079 ] [ 0.2417806 -3.8801623 5.0890752 ] [ -2.0720773 4.0777435 -5.7682662 ] [ -0.2994631 0.6625653 0.5979813 ] [ 0.1861355 0.2506226 -0.8460267 ] [ -0.6082227 -1.4373148 0.6245197 ] [ 1.550173 0.912841 0.5168246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.604858504245557e-09 -9.393486225449222e-10 -3.430386717085843e-10 ] [ 3.873752246829965e-10 -6.216705321969555e-09 8.153597306933084e-09 ] [ -3.319833806550388e-09 6.533265301319166e-09 -9.241781248190858e-09 ] [ -4.797927776122924e-10 1.061546633413338e-09 9.58071658535591e-10 ] [ 2.982219464009184e-10 4.015416703641101e-10 -1.355484199312575e-09 ] [ -9.744801901798522e-10 -2.302832169289828e-09 1.00059086256903e-09 ] [ 2.483650938795398e-09 1.462532508707693e-09 8.280442911743117e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.809694158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.308156155434247e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7435156 1.9262183 1.9747832 ] [ 2.49753 2.2802045 4.2819303 ] [ 2.3681411 4.1701952 2.7843175 ] [ 4.9949274 2.6573421 2.1046583 ] [ 4.7493653 3.0107087 4.4079028 ] [ 4.3901214 4.9121927 1.6922061 ] [ 4.1441552 5.2661605 3.9993576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7435156e-10 1.9262183e-10 1.9747832e-10 ] [ 2.49753e-10 2.2802045e-10 4.2819303e-10 ] [ 2.3681411e-10 4.170195200000001e-10 2.7843175e-10 ] [ 4.9949274e-10 2.6573421e-10 2.1046583e-10 ] [ 4.749365300000001e-10 3.0107087e-10 4.4079028e-10 ] [ 4.3901214e-10 4.9121927e-10 1.6922061e-10 ] [ 4.144155200000001e-10 5.2661605e-10 3.999357600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 1.07e-05 -8.4e-06 ] [ 6.5e-06 -1.61e-05 1.45e-05 ] [ 9e-07 1.41e-05 -1.3e-05 ] [ 2.5e-06 -1.84e-05 -1.12e-05 ] [ 1.02e-05 -1.39e-05 2.33e-05 ] [ -2.3e-06 2.9e-06 -1.04e-05 ] [ -1.41e-05 2.08e-05 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 1.714328984256e-14 -1.345828361472e-14 ] [ 1.04141480352e-14 -2.579504359488e-14 2.32315610016e-14 ] [ 1.44195895872e-15 2.259069035328e-14 -2.08282960704e-14 ] [ 4.005441552e-15 -2.948004982272e-14 -1.794437815296e-14 ] [ 1.634220153216e-14 -2.227025502912e-14 3.733071526464e-14 ] [ -3.68500622784e-15 4.646312200320001e-15 -1.666263685632e-14 ] [ -2.259069035328e-14 3.332527371264e-14 8.33131842816e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.141285158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.304377674490194e-18 } }