{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.6597303 -3.5957919 19.0422626 ] [ -0.3205139 0.5500541 0.3254246 ] [ -3.4632078 10.088798 -18.1407726 ] [ 12.7435275 -11.6471141 -9.1058745 ] [ 5.1937517 -1.0210138 8.7310432 ] [ -3.066898 5.9965305 -14.9627861 ] [ 3.5730709 -0.3714629 14.1107028 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.348747715389337e-08 -5.761093715442012e-09 3.050906794485422e-08 ] [ -5.135198772214292e-10 8.812838191951853e-10 5.213876859531917e-10 ] [ -5.548670570132203e-09 1.61640362875738e-08 -2.906472174296923e-08 ] [ 2.041738182702187e-08 -1.866073391081003e-08 -1.458921923583889e-08 ] [ 8.321307547980255e-09 -1.635844439874167e-09 1.398867329023482e-08 ] [ -4.913712273978278e-09 9.607500973014136e-09 -2.397302607145121e-08 ] [ 5.724690660440815e-09 -5.951491738745683e-10 2.26078381292171e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.847535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898184359110973e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4845357 2.3118241 3.6376421 ] [ 1.4818072 4.6556922 3.1815964 ] [ 2.8381389 3.6086364 1.239629 ] [ 4.8187116 2.1194929 2.3021042 ] [ 4.6469683 2.6741397 4.9980486 ] [ 5.1903548 4.6668267 1.3130619 ] [ 6.3134025 4.0220361 3.5513327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4845357e-10 2.3118241e-10 3.6376421e-10 ] [ 1.4818072e-10 4.6556922e-10 3.1815964e-10 ] [ 2.8381389e-10 3.6086364e-10 1.239629e-10 ] [ 4.8187116e-10 2.1194929e-10 2.3021042e-10 ] [ 4.646968300000001e-10 2.6741397e-10 4.9980486e-10 ] [ 5.1903548e-10 4.6668267e-10 1.3130619e-10 ] [ 6.3134025e-10 4.0220361e-10 3.5513327e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.02e-05 6.4e-06 1.95e-05 ] [ -1.48e-05 1.2e-05 -2.95e-05 ] [ -1.5e-05 -2.9e-06 1.11e-05 ] [ -2.6e-06 1.06e-05 -1.11e-05 ] [ -1.49e-05 -3.44e-05 1.5e-05 ] [ 1.88e-05 -1.19e-05 3.45e-05 ] [ -1.7e-06 2.02e-05 -3.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.838573394816e-14 1.025393037312e-14 3.12424441056e-14 ] [ -2.371221398784e-14 1.92261194496e-14 -4.72642103136e-14 ] [ -2.4032649312e-14 -4.646312200320001e-15 1.778416049088e-14 ] [ -4.16565921408e-15 1.698307218048e-14 -1.778416049088e-14 ] [ -2.387243164992e-14 -5.511487575552001e-14 2.4032649312e-14 ] [ 3.012092047104e-14 -1.906590178752e-14 5.52750934176e-14 ] [ -2.72370025536e-15 3.236396774016e-14 -6.312575885952001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.324373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.736976511541876e-18 } }