{ "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" [ [ 1.617948 3.024291 1.012928 ] [ 1.30973 1.622672 3.703727 ] [ 2.879916 3.04735 3.836046 ] [ 0.9226834 3.798669 3.025472 ] [ 3.183378 1.61886 2.358361 ] [ 3.567629 4.016165 2.010815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.617948e-10 3.024291e-10 1.012928e-10 ] [ 1.30973e-10 1.622672e-10 3.703727e-10 ] [ 2.879916000000001e-10 3.04735e-10 3.836046e-10 ] [ 9.226834e-11 3.798669e-10 3.025472e-10 ] [ 3.183378e-10 1.61886e-10 2.358361e-10 ] [ 3.567629e-10 4.016165e-10 2.010815e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.356406 -2.3839189 -9.5746573 ] [ -26.1624972 -17.6017572 16.4800677 ] [ 11.3379641 10.8646492 23.0885107 ] [ -12.5517712 14.7056003 0.6724751 ] [ 21.7838837 -14.2211648 -22.8809479 ] [ 6.9488266 8.6365913 -7.7854484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.173201981512845e-09 -3.819459127463253e-09 -1.534029207823205e-08 ] [ -4.191694135558546e-08 -2.820112387083807e-08 2.640397917814123e-08 ] [ 1.816542100848971e-08 1.740708694143343e-08 3.699187205263065e-08 ] [ -2.011015436627076e-08 2.356096899548947e-08 1.077423883290142e-09 ] [ 3.49016291743662e-08 -2.278481776310391e-08 -3.665931978712285e-08 ] [ 1.113324752051315e-08 1.383734466426468e-08 -1.247366340892477e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.969008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.359051825368167e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6873546 3.3211947 0.849547 ] [ 1.251934 1.3074288 3.9865919 ] [ 2.9439404 3.4484561 4.1097359 ] [ 0.5147107 3.6460683 3.0751567 ] [ 3.0499345 1.437455 2.1166274 ] [ 4.0334103 3.9674041 1.8096901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6873546e-10 3.3211947e-10 8.495470000000001e-11 ] [ 1.251934e-10 1.3074288e-10 3.9865919e-10 ] [ 2.9439404e-10 3.4484561e-10 4.1097359e-10 ] [ 5.147107e-11 3.6460683e-10 3.0751567e-10 ] [ 3.0499345e-10 1.437455e-10 2.1166274e-10 ] [ 4.0334103e-10 3.9674041e-10 1.8096901e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 -6.8e-06 2.9e-05 ] [ -1.17e-05 -2.3e-06 -3.01e-05 ] [ 4.66e-05 1.63e-05 2.46e-05 ] [ -9e-07 -8e-06 -2.81e-05 ] [ -9.3e-06 2.3e-06 1.11e-05 ] [ -2.53e-05 -1.5e-06 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-15 -1.089480102144e-14 4.64631220032e-14 ] [ -1.874546646336e-14 -3.68500622784e-15 -4.822551628608e-14 ] [ 7.466143052928e-14 2.611547891904e-14 3.941354487168e-14 ] [ -1.44195895872e-15 -1.28174129664e-14 -4.502116304448e-14 ] [ -1.490024257344e-14 3.68500622784e-15 1.778416049088e-14 ] [ -4.053506850624e-14 -2.4032649312e-15 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.865808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182853313090161e-18 } }