{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.881736 2.4116655 3.109397 ] [ -1.6619232 -2.5293995 -0.7915487 ] [ 1.1388663 -0.765951 -0.0084621 ] [ -0.0118348 2.4300344 -2.2288856 ] [ -1.383196 -4.9359616 3.3900145 ] [ -2.2479449 3.2507179 -2.6906526 ] [ 3.2842964 0.1388943 -0.7798626 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.412696804917709e-09 3.863914081289942e-09 4.981803178185657e-09 ] [ -2.662694496605122e-09 -4.052544743563209e-09 -1.268200821364633e-09 ] [ 1.824664960076999e-09 -1.227188784878381e-09 -1.355777878287168e-11 ] [ -1.896143987184384e-11 3.893344303419755e-09 -3.57106839875778e-09 ] [ -2.216124293184077e-09 -7.90828227668656e-09 5.431401976073001e-09 ] [ -3.601604763626594e-09 5.208224220196073e-09 -4.310900690414734e-09 ] [ 5.262022907857605e-09 2.225332002223814e-10 -1.249477625156302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.841047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.979974473959398e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6607427 1.0017238 2.0579072 ] [ 1.6159386 2.3167094 3.7976272 ] [ 1.7667413 3.1898211 1.5476833 ] [ 4.1518261 2.8222005 1.5221155 ] [ 3.9960714 1.9203788 3.84604 ] [ 3.0726697 4.1804197 3.3190418 ] [ 5.4415182 3.7678635 3.3176861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6607427e-10 1.0017238e-10 2.0579072e-10 ] [ 1.6159386e-10 2.3167094e-10 3.7976272e-10 ] [ 1.7667413e-10 3.1898211e-10 1.5476833e-10 ] [ 4.1518261e-10 2.8222005e-10 1.5221155e-10 ] [ 3.9960714e-10 1.9203788e-10 3.84604e-10 ] [ 3.0726697e-10 4.1804197e-10 3.3190418e-10 ] [ 5.4415182e-10 3.7678635e-10 3.3176861e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 4.99e-05 4e-07 ] [ 4.03e-05 -1.81e-05 -1.64e-05 ] [ -2.2e-06 -1.61e-05 5.1e-06 ] [ 3e-06 -5.4e-06 2.11e-05 ] [ -1.25e-05 1.3e-05 1.24e-05 ] [ 6e-07 3e-07 -8.3e-06 ] [ -2.42e-05 -2.36e-05 -1.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 7.994861337792e-14 6.408706483200001e-16 ] [ 6.456771781824e-14 -2.899939683648e-14 -2.627569658112e-14 ] [ -3.52478856576e-15 -2.579504359488e-14 8.17110076608e-15 ] [ 4.8065298624e-15 -8.65175375232e-15 3.380592669888e-14 ] [ -2.002720776e-14 2.08282960704e-14 1.986699009792e-14 ] [ 9.6130597248e-16 4.8065298624e-16 -1.329806595264e-14 ] [ -3.877267422336e-14 -3.781136825088e-14 -2.307134333952e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }