{ "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" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2216155 -1.5832412 -2.0976354 ] [ 0.5027386 -1.2954092 3.723813 ] [ -1.3757506 1.5329498 0.3863367 ] [ 1.4096993 -0.7263802 -3.6961435 ] [ -0.7118924 2.7099672 -0.1770627 ] [ 1.3968207 -0.6378863 1.860692 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.957243793706902e-09 -2.536632035727337e-09 -3.360782396842457e-09 ] [ 8.054760312937229e-10 -2.075474334609231e-09 5.96620612883111e-09 ] [ -2.204195447371572e-09 2.456056330420036e-09 6.189796284970232e-10 ] [ 2.258587260818125e-09 -1.163789374252028e-09 -5.921874702821885e-09 ] [ -1.140577359805202e-09 4.341846090974837e-09 -2.836857183557242e-10 ] [ 2.237953468989491e-09 -1.022006516588615e-09 2.981157220909594e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.482317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.999887647081439e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0227953 1.9454234 2.5213063 ] [ 2.5518979 2.1348551 4.9458119 ] [ 1.2900403 3.9496545 3.8020067 ] [ 4.0614389 3.0291488 1.9917406 ] [ 3.328678 5.0333867 3.2724324 ] [ 4.5905357 3.2185945 4.4162511 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0227953e-10 1.9454234e-10 2.5213063e-10 ] [ 2.5518979e-10 2.1348551e-10 4.9458119e-10 ] [ 1.2900403e-10 3.9496545e-10 3.8020067e-10 ] [ 4.0614389e-10 3.0291488e-10 1.9917406e-10 ] [ 3.328678e-10 5.0333867e-10 3.2724324e-10 ] [ 4.5905357e-10 3.2185945e-10 4.4162511e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.6e-06 -6.6e-06 -6.8e-06 ] [ 2.1e-06 2.9e-06 1.17e-05 ] [ -7.9e-06 6.9e-06 -2.2e-06 ] [ 2e-07 8.3e-06 5e-06 ] [ 4.5e-06 -9.1e-06 3.7e-06 ] [ -2.5e-06 -2.3e-06 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.76783583488e-15 -1.057436569728e-14 -1.089480102144e-14 ] [ 3.36457090368e-15 4.646312200320001e-15 1.874546646336e-14 ] [ -1.265719530432e-14 1.105501868352e-14 -3.52478856576e-15 ] [ 3.2043532416e-16 1.329806595264e-14 8.010883104e-15 ] [ 7.2097947936e-15 -1.457980724928e-14 5.928053496960001e-15 ] [ -4.005441552e-15 -3.68500622784e-15 -1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.328753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295719306181786e-18 } }