{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3150888 -3.8302019 -0.6376047 ] [ -5.0470076 1.1975624 -8.705793 ] [ -4.1024433 -2.068112 5.418312 ] [ 4.7003563 1.2497826 -0.6740002 ] [ 1.5168084 -0.3444221 0.2205952 ] [ 1.113079 -0.8869077 0.3437756 ] [ 7.134296 4.6822988 4.0347151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.515711012835926e-09 -6.13665993712374e-09 -1.021555343652198e-09 ] [ -8.086197581719918e-09 1.918706479229138e-09 -1.394821801012429e-08 ] [ -6.572838743417601e-09 -3.31348069559593e-09 8.681092810600091e-09 ] [ 7.530800973289991e-09 2.002372462802638e-09 -1.079867362854524e-09 ] [ 2.430194956713054e-09 -5.518250363068398e-10 3.534324721007001e-10 ] [ 1.783349150903443e-09 -1.4209827817475e-09 5.507892291214925e-10 ] [ 1.143040225706696e-08 7.501869668959895e-09 6.464326204808734e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.837887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.857944551587225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9516143 1.5174745 2.7112161 ] [ 1.679059 3.7896352 2.0573906 ] [ 1.7872028 3.2588589 4.4995504 ] [ 4.2452457 1.8321766 2.8375686 ] [ 4.0858863 2.4511938 5.0662825 ] [ 3.9733907 4.0984975 2.1854049 ] [ 3.8133742 4.7233495 4.4124369 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9516143e-10 1.5174745e-10 2.7112161e-10 ] [ 1.679059e-10 3.7896352e-10 2.0573906e-10 ] [ 1.7872028e-10 3.2588589e-10 4.4995504e-10 ] [ 4.2452457e-10 1.8321766e-10 2.8375686e-10 ] [ 4.0858863e-10 2.4511938e-10 5.0662825e-10 ] [ 3.9733907e-10 4.0984975e-10 2.1854049e-10 ] [ 3.8133742e-10 4.723349500000001e-10 4.412436900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.22e-05 3.67e-05 -1.51e-05 ] [ 2.19e-05 -1.78e-05 2.09e-05 ] [ 2.24e-05 7.4e-06 -4.02e-05 ] [ -4.02e-05 1e-07 7e-06 ] [ 2.86e-05 -9e-07 -5.1e-06 ] [ -3.27e-05 -4.31e-05 5.7e-06 ] [ -2.21e-05 1.76e-05 2.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.556832098176e-14 5.879988198335999e-14 -2.419286697408e-14 ] [ 3.508766799552e-14 -2.851874385024e-14 3.348549137472e-14 ] [ 3.588875630592e-14 1.185610699392e-14 -6.440750015616e-14 ] [ -6.440750015616e-14 1.6021766208e-16 1.12152363456e-14 ] [ 4.582225135488e-14 -1.44195895872e-15 -8.17110076608e-15 ] [ -5.239117550016001e-14 -6.905381235648e-14 9.13240673856e-15 ] [ -3.540810331968e-14 2.819830852608e-14 4.277811577536e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }