{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6390324 -1.3770951 1.7144187 ] [ -5.3525302 3.5416945 -2.2013868 ] [ -3.2579147 -3.6027467 3.6503944 ] [ -2.4905354 0.333979 1.6807751 ] [ -1.2030268 -1.6176499 -6.9491325 ] [ 3.2566388 -0.8056901 -1.2188279 ] [ 2.408336 3.5275083 3.323759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.063690258364894e-08 -2.206349592015893e-09 2.746801582032655e-09 ] [ -8.575698819219346e-09 5.674420172666313e-09 -3.52701049335603e-09 ] [ -5.21975480790512e-09 -5.772236580960607e-09 5.848576612564449e-09 ] [ -3.990277624029844e-09 5.35093350046686e-10 2.692898592229013e-09 ] [ -1.927461429035791e-09 -2.591760871772436e-09 -1.113373771807e-08 ] [ 5.217710590737799e-09 -1.290857852465123e-09 -1.952777582247288e-09 ] [ 3.858579666021024e-09 5.651691374501062e-09 5.325249006847205e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.680006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.47351990381798e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4991202 2.8979313 1.2063876 ] [ 1.5742766 5.0591247 2.0997319 ] [ 2.042494 3.1236886 3.6690737 ] [ 4.9173581 2.7897433 0.3512536 ] [ 4.4213598 3.0395517 2.8577665 ] [ 3.9526199 4.9771787 1.2867843 ] [ 3.4943404 5.2005607 3.7493667 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4991202e-10 2.8979313e-10 1.2063876e-10 ] [ 1.5742766e-10 5.0591247e-10 2.0997319e-10 ] [ 2.042494e-10 3.1236886e-10 3.6690737e-10 ] [ 4.9173581e-10 2.7897433e-10 3.512536e-11 ] [ 4.421359800000001e-10 3.0395517e-10 2.8577665e-10 ] [ 3.9526199e-10 4.977178699999999e-10 1.2867843e-10 ] [ 3.4943404e-10 5.200560699999999e-10 3.7493667e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0002054 0.0003786 0.0002626 ] [ 0.0001863 -0.0002576 0.0003826 ] [ 0.0001255 0.0001572 -0.0004907 ] [ -1.87e-05 -2.61e-05 0.0001986 ] [ -0.0002248 9.11e-05 -0.0001096 ] [ -0.0001979 -0.0002658 3.02e-05 ] [ -7.59e-05 -7.75e-05 -0.0002737 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.290870806236e-13 6.065840736324e-13 4.207315840883999e-13 ] [ 2.984855069142e-13 -4.127207009183999e-13 6.129927801683999e-13 ] [ 2.01073167567e-13 2.518621668648e-13 -7.861880743037998e-13 ] [ -2.99607030558e-14 -4.18168101474e-14 3.181922795124e-13 ] [ -3.601693073232e-13 1.459582913574e-13 -1.755985590864e-13 ] [ -3.170707558686e-13 -4.258585493172e-13 4.838573434679999e-14 ] [ -1.216052065206e-13 -1.24168689135e-13 -4.385157447257999e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682677979968e-18 } }