{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4685152 -1.3404488 0.5791966 ] [ -0.4101876 0.8012846 0.7536986 ] [ -2.4688444 0.2153782 1.2236461 ] [ -0.7458132 -1.8632509 -3.5977888 ] [ 0.1135662 0.1882476 1.4807545 ] [ 2.3239056 2.0497223 -1.2364711 ] [ 1.6558887 -0.050933 0.7969641 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.506441061138368e-10 -2.147635746433339e-09 9.279752590122442e-10 ] [ -6.571929882765382e-10 1.283799463304036e-09 1.207558285998512e-09 ] [ -3.955524810661749e-09 3.450739195129788e-10 1.960497189705227e-09 ] [ -1.194924482368769e-09 -2.98525705525947e-09 -5.764293149426899e-09 ] [ 1.819531120521708e-10 3.016059061265783e-10 2.372430260590353e-09 ] [ 3.72330725194175e-09 3.284017175248738e-09 -1.981045105036277e-09 ] [ 2.653026183644636e-09 -8.160366249952199e-11 1.276877259156839e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.431143005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.632559339375008e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.7773218 1.0958817 3.2851249 ] [ 1.3971799 3.3164946 3.8558129 ] [ 2.2031445 5.3348482 3.0595006 ] [ 2.3689748 2.3679441 2.0041551 ] [ 3.1497496 2.4818449 5.143798 ] [ 3.8462594 4.1255051 1.9662821 ] [ 5.0318549 3.1034562 3.6916483 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.7773218e-10 1.0958817e-10 3.2851249e-10 ] [ 1.3971799e-10 3.3164946e-10 3.8558129e-10 ] [ 2.2031445e-10 5.3348482e-10 3.0595006e-10 ] [ 2.3689748e-10 2.3679441e-10 2.0041551e-10 ] [ 3.1497496e-10 2.4818449e-10 5.143798000000001e-10 ] [ 3.8462594e-10 4.1255051e-10 1.9662821e-10 ] [ 5.0318549e-10 3.1034562e-10 3.691648300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 1.38e-05 2.4e-06 ] [ -4.2e-06 1.9e-06 5.8e-06 ] [ 2.9e-06 5.7e-06 1.6e-06 ] [ -9.3e-06 -7.4e-06 -1.4e-06 ] [ 6.5e-06 -1.18e-05 -1.93e-05 ] [ 1.18e-05 -1.98e-05 7.2e-06 ] [ -5.6e-06 1.76e-05 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5247885948e-15 2.21100375492e-14 3.845223921599999e-15 ] [ -6.729141862799999e-15 3.0441356046e-15 9.2926244772e-15 ] [ 4.6463122386e-15 9.1324068138e-15 2.5634826144e-15 ] [ -1.49002426962e-14 -1.18561070916e-14 -2.2430472876e-15 ] [ 1.0414148121e-14 -1.89056842812e-14 -3.09220090362e-14 ] [ 1.89056842812e-14 -3.17230973532e-14 1.15356717648e-14 ] [ -8.972189150399999e-15 2.81983087584e-14 6.088271209199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }