{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.402658 -2.4422828 -13.6211393 ] [ -7.6597712 -4.0070443 -0.2952667 ] [ 5.2921221 -0.1262842 8.8629684 ] [ -7.0603918 6.8460285 2.2009326 ] [ 7.7095294 -1.7680711 -2.891133 ] [ 2.6511763 -10.628252 8.1338582 ] [ 4.4699931 12.1259059 -2.3902202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.656012337778087e-09 -3.912968403541962e-09 -2.182347093512008e-08 ] [ -1.227230633731716e-08 -6.419992695969901e-09 -4.730694036407673e-10 ] [ 8.478914303039e-09 -2.023295928164314e-10 1.420004076136918e-08 ] [ -1.131199467564803e-08 1.096854680803049e-08 3.526282755676558e-09 ] [ 1.235202776205025e-08 -2.832762180332139e-09 -4.632105700223366e-09 ] [ 4.247652685479047e-09 -1.702833687437084e-08 1.303187744494237e-08 ] [ 7.161718439957317e-09 1.942784293900078e-08 -3.8295549230039e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6107116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.379588081397136e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.450105 2.7991424 0.9384228 ] [ 1.2999603 2.0004117 2.8831776 ] [ 3.6024879 3.5511413 4.9203224 ] [ 1.4214887 4.1969087 3.8337056 ] [ 4.6311051 2.1533948 2.025046 ] [ 3.3982269 1.379141 3.9285735 ] [ 3.6704391 4.588049 2.4761121 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.450105e-10 2.7991424e-10 9.384228000000001e-11 ] [ 1.2999603e-10 2.0004117e-10 2.8831776e-10 ] [ 3.6024879e-10 3.5511413e-10 4.9203224e-10 ] [ 1.4214887e-10 4.1969087e-10 3.8337056e-10 ] [ 4.6311051e-10 2.1533948e-10 2.025046e-10 ] [ 3.3982269e-10 1.379141e-10 3.9285735e-10 ] [ 3.6704391e-10 4.588049e-10 2.4761121e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 5e-07 1.3e-06 ] [ 3.2e-06 -2e-07 -0.0 ] [ -1e-05 1.3e-06 -8.4e-06 ] [ 7.3e-06 2.7e-06 -3.6e-06 ] [ 8e-06 -1.13e-05 1.2e-06 ] [ 5.5e-06 3e-07 -2.1e-06 ] [ -2.4e-06 6.7e-06 1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.84250311392e-14 8.010883104e-16 2.08282960704e-15 ] [ 5.126965186560001e-15 -3.2043532416e-16 0.0 ] [ -1.6021766208e-14 2.08282960704e-15 -1.345828361472e-14 ] [ 1.169588933184e-14 4.32587687616e-15 -5.76783583488e-15 ] [ 1.28174129664e-14 -1.810459581504e-14 1.92261194496e-15 ] [ 8.8119714144e-15 4.8065298624e-16 -3.36457090368e-15 ] [ -3.84522388992e-15 1.073458335936e-14 1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846373471814145e-18 } }