{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3588305 -7.7163509 -3.6439533 ] [ -6.1057226 1.2537734 4.8919097 ] [ -2.3413218 6.0077333 -7.2636088 ] [ 4.0017509 -0.6550145 -1.8675365 ] [ 5.7667815 -3.656625 4.6674977 ] [ 0.4054851 0.1971906 -0.8605649 ] [ 1.6318573 4.5692931 4.076256 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.381439700329974e-09 -1.236295700986904e-08 -5.838256784547009e-09 ] [ -9.78244600281019e-09 2.008766429260927e-09 7.837703352404742e-09 ] [ -3.751211049729373e-09 9.625449837261634e-09 -1.163758420199714e-08 ] [ 6.41151173424536e-09 -1.049448918185002e-09 -2.992123318790659e-09 ] [ 9.239402496561955e-09 -5.8585590860328e-09 7.478155692577774e-09 ] [ 6.496587473027501e-10 3.159341691615245e-10 -1.37877696346109e-09 ] [ 2.614523614541812e-09 7.320814578402757e-09 6.530882063595725e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.738105 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.040869402429558e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4867788 1.6383254 2.1874044 ] [ 1.5974593 3.2068719 4.0390019 ] [ 2.046087 4.1511067 1.6508633 ] [ 4.8285565 2.1054981 2.392428 ] [ 5.0924815 2.193199 4.7726397 ] [ 4.2904303 4.4912334 2.4406419 ] [ 3.6808965 4.1297124 4.7818818 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4867788e-10 1.6383254e-10 2.1874044e-10 ] [ 1.5974593e-10 3.2068719e-10 4.0390019e-10 ] [ 2.046087e-10 4.1511067e-10 1.6508633e-10 ] [ 4.828556500000001e-10 2.1054981e-10 2.392428e-10 ] [ 5.0924815e-10 2.193199e-10 4.772639700000001e-10 ] [ 4.2904303e-10 4.4912334e-10 2.4406419e-10 ] [ 3.6808965e-10 4.1297124e-10 4.7818818e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.69e-05 -1.34e-05 -3.1e-05 ] [ -0.0 5.31e-05 3.73e-05 ] [ 1.33e-05 -3.56e-05 2.1e-06 ] [ -1.02e-05 5.26e-05 5.36e-05 ] [ -2.36e-05 1.8e-06 -3.59e-05 ] [ -1.71e-05 -1.3e-05 2.05e-05 ] [ 2.08e-05 -4.55e-05 -4.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.707678489152e-14 -2.146916671872e-14 -4.96674752448e-14 ] [ 0.0 8.507557856448001e-14 5.976118795584e-14 ] [ 2.130894905664e-14 -5.703748770048e-14 3.36457090368e-15 ] [ -1.634220153216e-14 8.427449025408001e-14 8.587666687488e-14 ] [ -3.781136825088e-14 2.88391791744e-15 -5.751814068672e-14 ] [ -2.739722021568e-14 -2.08282960704e-14 3.28446207264e-14 ] [ 3.332527371264e-14 -7.28990362464e-14 -7.466143052928e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }