{ "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" [ [ 2.147227 2.362862 2.450911 ] [ 2.622761 1.752099 4.557796 ] [ 1.686581 4.667086 2.204349 ] [ 1.229897 3.438837 4.460251 ] [ 4.850673 1.640741 2.950795 ] [ 3.668046 3.670667 2.833872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147227e-10 2.362862e-10 2.450911e-10 ] [ 2.622761e-10 1.752099e-10 4.557796e-10 ] [ 1.686581e-10 4.667086e-10 2.204349e-10 ] [ 1.229897e-10 3.438837e-10 4.460251000000001e-10 ] [ 4.850672999999999e-10 1.640741e-10 2.950795e-10 ] [ 3.668046e-10 3.670667e-10 2.833872e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5849172 -17.4881259 -20.9617482 ] [ -1.7651046 -16.7072719 19.6372822 ] [ -8.3398155 15.3414694 -8.1230256 ] [ -20.2423991 6.9201784 20.6041983 ] [ 14.0504537 -6.5741479 -0.9141956 ] [ 29.8817826 18.5078979 -10.2425111 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.17654367333438e-08 -2.801906645858696e-08 -3.358442289713648e-08 ] [ -2.828009323386536e-09 -2.67680004355288e-08 3.146239443689199e-08 ] [ -1.336185741588546e-08 2.45797436013986e-08 -1.301452170647989e-08 ] [ -3.243189858692296e-08 1.108734804424515e-08 3.30115648065871e-08 ] [ 2.251130842977286e-08 -1.053294606706142e-08 -1.464702817158229e-09 ] [ 4.787589346954824e-08 2.965292131553342e-08 -1.641031182270449e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.614849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.181339276352226e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4779837 1.8611337 1.9003974 ] [ 2.4343297 1.4199812 4.1659683 ] [ 1.8724892 4.2719692 2.4240767 ] [ 1.5067984 3.6471086 4.8152745 ] [ 4.6550722 2.1595579 3.6908731 ] [ 4.2585118 4.1725414 2.4613839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4779837e-10 1.8611337e-10 1.9003974e-10 ] [ 2.4343297e-10 1.4199812e-10 4.1659683e-10 ] [ 1.8724892e-10 4.2719692e-10 2.4240767e-10 ] [ 1.5067984e-10 3.6471086e-10 4.8152745e-10 ] [ 4.655072200000001e-10 2.1595579e-10 3.6908731e-10 ] [ 4.2585118e-10 4.1725414e-10 2.4613839e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 -3.69e-05 -2.15e-05 ] [ 3.5e-06 1.06e-05 -1.34e-05 ] [ 3.4e-06 -9e-07 -1.19e-05 ] [ 2.26e-05 2.8e-05 2.83e-05 ] [ -1.68e-05 -2.8e-05 1e-07 ] [ -1.94e-05 2.71e-05 1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.057436569728e-14 -5.912031730752001e-14 -3.44467973472e-14 ] [ 5.6076181728e-15 1.698307218048e-14 -2.146916671872e-14 ] [ 5.44740051072e-15 -1.44195895872e-15 -1.906590178752e-14 ] [ 3.620919163008e-14 4.48609453824e-14 4.534159836864e-14 ] [ -2.691656722944e-14 -4.48609453824e-14 1.6021766208e-16 ] [ -3.108222644352e-14 4.341898642368e-14 2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }