{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.222424 2.904477 0.9358623 ] [ 1.494107 1.000567 2.599919 ] [ 2.753047 4.765039 1.902757 ] [ 2.502796 3.18307 3.733295 ] [ 3.53967 2.110225 1.931082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.222424e-10 2.904477e-10 9.358623e-11 ] [ 1.494107e-10 1.000567e-10 2.599919e-10 ] [ 2.753047e-10 4.765039e-10 1.902757e-10 ] [ 2.502796e-10 3.18307e-10 3.733295e-10 ] [ 3.53967e-10 2.110225e-10 1.931082e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5539368 0.8082241 -3.1588667 ] [ -2.0171201 -2.4223365 0.4521719 ] [ -0.4258238 2.3433796 -0.5959525 ] [ 0.3479796 1.7226224 4.8529682 ] [ 4.6489011 -2.4518895 -1.550321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.091857831960765e-09 1.294917757387121e-09 -5.061062374963647e-09 ] [ -3.231782665565758e-09 -3.881010908010499e-09 7.244592467627155e-10 ] [ -6.82244936940215e-10 3.754508008779655e-09 -9.54821162607312e-10 ] [ 5.575247796353357e-10 2.759945335746386e-09 7.77531219152586e-09 ] [ 7.448360654831403e-09 -3.928360033685002e-09 -2.483888060935277e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.887491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.830623814570413e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8893018 3.0619771 0.9816645 ] [ 1.6997962 1.3120521 2.5860925 ] [ 2.905029 4.2733005 1.8550849 ] [ 2.0921646 3.3250898 4.0307351 ] [ 3.9257523 1.9909586 1.6493383 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.893018000000001e-11 3.0619771e-10 9.816645000000001e-11 ] [ 1.6997962e-10 1.3120521e-10 2.5860925e-10 ] [ 2.905029e-10 4.273300500000001e-10 1.8550849e-10 ] [ 2.0921646e-10 3.3250898e-10 4.030735100000001e-10 ] [ 3.9257523e-10 1.9909586e-10 1.6493383e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 -3e-07 1.34e-05 ] [ -1.2e-05 -1.83e-05 -1.73e-05 ] [ -7.7e-06 1.08e-05 -3e-06 ] [ 1.68e-05 7.1e-06 -1.27e-05 ] [ -1.3e-06 6e-07 1.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 -4.8065298624e-16 2.146916671872e-14 ] [ -1.92261194496e-14 -2.931983216064e-14 -2.771765553984e-14 ] [ -1.233675998016e-14 1.730350750464e-14 -4.8065298624e-15 ] [ 2.691656722944e-14 1.137545400768e-14 -2.034764308416e-14 ] [ -2.08282960704e-15 9.6130597248e-16 3.156287942976e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }