{ "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" [ [ 1.331987 2.725643 2.897481 ] [ 2.736578 2.541304 1.125105 ] [ 1.73273 1.005545 4.481047 ] [ 2.473311 4.730527 2.221702 ] [ 3.99816 2.852734 3.21894 ] [ 4.698265 3.839392 1.5336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.331987e-10 2.725643e-10 2.897481e-10 ] [ 2.736578e-10 2.541304e-10 1.125105e-10 ] [ 1.73273e-10 1.005545e-10 4.481047e-10 ] [ 2.473311e-10 4.730527000000001e-10 2.221702e-10 ] [ 3.99816e-10 2.852734e-10 3.21894e-10 ] [ 4.698265e-10 3.839392e-10 1.5336e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7144562 -0.6843191 1.7349974 ] [ -0.2186851 -1.3198178 -2.6279901 ] [ -0.225868 0.3201473 -0.2324383 ] [ 0.0841328 1.079058 0.1631183 ] [ -1.6606307 -2.7006031 5.6175209 ] [ 2.7355072 3.3055347 -4.6552082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.144685020225609e-09 -1.096400063186897e-09 2.779772271428786e-09 ] [ -3.503721545373101e-10 -2.11458122287569e-09 -4.210504297913854e-09 ] [ -3.618804289868544e-10 5.129325192722439e-10 -3.724072100384967e-10 ] [ 1.347956052024422e-10 1.728841500087206e-09 2.613443266846406e-10 ] [ -2.660623683322738e-09 -4.326843148880004e-09 9.000260652835374e-09 ] [ 4.38276568187007e-09 5.296050415583142e-09 -7.45846574299645e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.060321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252711758714328e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2311797 2.9505471 2.5286715 ] [ 2.9237479 2.1074552 1.1403062 ] [ 2.166408 1.7608212 4.317332 ] [ 2.2307539 5.0649802 2.3893153 ] [ 4.1893185 1.870785 3.1550108 ] [ 4.2296229 3.9405562 1.9472393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2311797e-10 2.9505471e-10 2.5286715e-10 ] [ 2.9237479e-10 2.1074552e-10 1.1403062e-10 ] [ 2.166408e-10 1.7608212e-10 4.317332000000001e-10 ] [ 2.2307539e-10 5.0649802e-10 2.3893153e-10 ] [ 4.1893185e-10 1.870785e-10 3.1550108e-10 ] [ 4.2296229e-10 3.9405562e-10 1.9472393e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.62e-05 -1.62e-05 1.58e-05 ] [ 1.27e-05 -6e-06 -8.6e-06 ] [ -4.5e-06 4.79e-05 -2.29e-05 ] [ -2.01e-05 1.39e-05 1.08e-05 ] [ 3.8e-06 -7.6e-06 -2.11e-05 ] [ -1.82e-05 -3.2e-05 2.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.197702746496e-14 -2.595526125696e-14 2.531439060864e-14 ] [ 2.034764308416e-14 -9.6130597248e-15 -1.377871893888e-14 ] [ -7.2097947936e-15 7.674426013632e-14 -3.668984461632e-14 ] [ -3.220375007808e-14 2.227025502912e-14 1.730350750464e-14 ] [ 6.08827115904e-15 -1.217654231808e-14 -3.380592669888e-14 ] [ -2.915961449856e-14 -5.12696518656e-14 4.149637447872e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.152501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.908351271124862e-18 } }