{ "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" [ [ 1.63984 2.632724 3.733643 ] [ 2.059322 3.100925 1.548727 ] [ 0.4497259 4.960249 3.35449 ] [ 2.730005 4.489518 3.533282 ] [ 4.056337 2.434117 2.913545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.63984e-10 2.632724e-10 3.733643e-10 ] [ 2.059322e-10 3.100925e-10 1.548727e-10 ] [ 4.497259e-11 4.960249e-10 3.35449e-10 ] [ 2.730005e-10 4.489518e-10 3.533282e-10 ] [ 4.056337e-10 2.434117e-10 2.913545e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7976718 -2.6681056 1.2386048 ] [ 1.2119157 -0.0999347 -0.6779356 ] [ 0.3325591 -0.4323035 0.2891124 ] [ 1.7805974 2.4542693 -0.6060203 ] [ -1.5274004 0.7460745 -0.2437613 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.880187729831454e-09 -4.274776414145557e-09 1.98446365297066e-09 ] [ 1.941703000920467e-09 -1.601130399466618e-10 -1.08617256872802e-09 ] [ 5.328184150542893e-10 -6.926265607900128e-10 4.63209128063378e-10 ] [ 2.852831525337266e-09 3.932172893607182e-09 -9.709515563902022e-10 ] [ -2.447165211480568e-09 1.19534312127505e-09 -3.90548655915815e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.698200399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.925170218687462e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3284701 2.1954041 3.6355716 ] [ 2.0185661 3.356082 1.6929476 ] [ 0.8449145 4.4879597 3.4071866 ] [ 3.1298601 4.935317 3.0597766 ] [ 3.6134192 2.6427701 3.2882046 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3284701e-10 2.1954041e-10 3.6355716e-10 ] [ 2.0185661e-10 3.356082e-10 1.6929476e-10 ] [ 8.449145000000001e-11 4.4879597e-10 3.4071866e-10 ] [ 3.1298601e-10 4.935317000000001e-10 3.0597766e-10 ] [ 3.6134192e-10 2.6427701e-10 3.2882046e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.64e-05 4.03e-05 1.26e-05 ] [ -1.52e-05 -1.02e-05 -1.63e-05 ] [ 1e-05 -1.26e-05 -2.01e-05 ] [ -1.98e-05 8.7e-06 3.53e-05 ] [ 8.6e-06 -2.62e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.627569658112e-14 6.456771781824e-14 2.018742542208e-14 ] [ -2.435308463616e-14 -1.634220153216e-14 -2.611547891904e-14 ] [ 1.6021766208e-14 -2.018742542208e-14 -3.220375007808e-14 ] [ -3.172309709184e-14 1.393893660096e-14 5.655683471424e-14 ] [ 1.377871893888e-14 -4.197702746496e-14 -1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }