{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4816555 -14.5348832 -6.2198812 ] [ -15.0731667 11.4338176 17.5839234 ] [ -10.3883417 1.9331282 -1.7992808 ] [ 14.9694956 -3.9545409 -6.9407586 ] [ 14.089855 -12.9180085 8.6393541 ] [ 2.5714311 -3.2457569 -25.55386 ] [ 9.3123821 21.2862436 14.2905031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.480434669773759e-08 -2.328745024095915e-08 -9.965348324895879e-09 ] [ -2.414987548712688e-08 1.831899539613796e-08 2.817255120552583e-08 ] [ -1.664395833774784e-08 3.097212832566479e-09 -2.882765655764827e-09 ] [ 2.398377607308581e-08 -6.33587302817733e-09 -1.112032125115455e-08 ] [ 2.257443645744807e-08 -2.069693137651339e-08 1.38417712718721e-08 ] [ 4.119886824360917e-09 -5.200275864824275e-09 -4.094179740050724e-08 ] [ 1.492008100749985e-08 3.410432212155204e-08 2.289591015492457e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4567265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.03448163304286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.000857 1.2746361 2.8811222 ] [ 1.8963209 3.2804083 4.701149 ] [ 1.5404611 3.7317434 2.0523362 ] [ 4.320466 1.3683084 1.6916491 ] [ 4.3018792 2.1445216 4.1819012 ] [ 3.8797292 3.7204628 0.8982534 ] [ 3.8414916 4.6016245 3.353104 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.000857e-10 1.2746361e-10 2.8811222e-10 ] [ 1.8963209e-10 3.2804083e-10 4.701149000000001e-10 ] [ 1.5404611e-10 3.7317434e-10 2.0523362e-10 ] [ 4.320466e-10 1.3683084e-10 1.6916491e-10 ] [ 4.3018792e-10 2.1445216e-10 4.1819012e-10 ] [ 3.8797292e-10 3.7204628e-10 8.982534e-11 ] [ 3.8414916e-10 4.6016245e-10 3.353104e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -8.4e-06 8.5e-06 ] [ -1.77e-05 -8.3e-06 2.92e-05 ] [ 1.79e-05 -1.11e-05 -6.9e-06 ] [ -3.2e-06 -1.45e-05 2.7e-06 ] [ -1.18e-05 -8.6e-06 -1.5e-06 ] [ 2.3e-06 2.84e-05 -2.27e-05 ] [ 1.31e-05 2.25e-05 -9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1215236438e-15 -1.34582837256e-14 1.3618501389e-14 ] [ -2.83585264218e-14 -1.32980660622e-14 4.67835577128e-14 ] [ 2.86789617486e-14 -1.77841606374e-14 -1.10550187746e-14 ] [ -5.1269652288e-15 -2.3231561193e-14 4.3258769118e-15 ] [ -1.89056842812e-14 -1.37787190524e-14 -2.403264951e-15 ] [ 3.685006258199999e-15 4.550181640559999e-14 -3.636940959179999e-14 ] [ 2.09885139054e-14 3.6048974265e-14 -1.47400250328e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.010874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.846966128471812e-18 } }