{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.2932664 8.6916514 -11.5424385 ] [ 5.5145476 -13.0250177 29.2056195 ] [ -7.1448541 9.9395715 3.0332917 ] [ 25.0675684 -17.5430951 -14.5458285 ] [ 12.8560044 11.9368898 -6.1506443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.814822291854619e-08 1.392556066922359e-08 -1.849302511172182e-08 ] [ 8.83527923900875e-09 -2.086837884444619e-08 4.679256075888059e-08 ] [ -1.144731819804703e-08 1.592494907806999e-08 4.859869045806688e-09 ] [ 4.016267203078486e-08 -2.810713682569104e-08 -2.330498635286633e-08 ] [ 2.059758968658193e-08 1.912500576262599e-08 -9.854418500316782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.575914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.213795229199141e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1918954 1.0777258 1.6929779 ] [ 1.2331315 -0.8758471 2.847488 ] [ 0.1586888 3.5737222 1.7421028 ] [ 2.6174255 0.1929403 1.0740206 ] [ 2.0496712 2.5441706 0.4899156 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.918954e-11 1.0777258e-10 1.6929779e-10 ] [ 1.2331315e-10 -8.758471e-11 2.847488e-10 ] [ 1.586888e-11 3.5737222e-10 1.7421028e-10 ] [ 2.6174255e-10 1.929403e-11 1.0740206e-10 ] [ 2.0496712e-10 2.5441706e-10 4.899156e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 1.5e-06 -1e-07 ] [ -9e-07 -1e-06 1e-06 ] [ -8e-07 -5e-07 2e-07 ] [ 8e-07 0.0 -9e-07 ] [ -2e-07 -0.0 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 2.4032649312e-15 -1.6021766208e-16 ] [ -1.44195895872e-15 -1.6021766208e-15 1.6021766208e-15 ] [ -1.28174129664e-15 -8.010883104e-16 3.2043532416e-16 ] [ 1.28174129664e-15 0.0 -1.44195895872e-15 ] [ -3.2043532416e-16 0.0 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635644093668e-18 } }