{ "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" [ [ 2.619068 2.165174 1.589354 ] [ 4.694039 1.985014 2.658467 ] [ 3.289805 2.94692 4.226906 ] [ 3.352089 4.483007 2.429606 ] [ 5.033516 4.030044 3.913159 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.619068e-10 2.165174e-10 1.589354e-10 ] [ 4.694039000000001e-10 1.985014e-10 2.658467e-10 ] [ 3.289805e-10 2.94692e-10 4.226906e-10 ] [ 3.352089e-10 4.483007e-10 2.429606e-10 ] [ 5.033516e-10 4.030044e-10 3.913159e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7866181 4.3424033 0.5225729 ] [ 2.0219614 -2.6463078 -1.513982 ] [ -8.098846 -4.3018857 4.6779553 ] [ -3.8781114 -2.0806151 -4.6105329 ] [ 9.168378 4.6864052 0.9239867 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.260301139701475e-09 6.957297102664492e-09 8.372540899416185e-10 ] [ 3.239539309929927e-09 -4.239852523531945e-09 -2.425666584696588e-09 ] [ -1.297578182356436e-08 -6.892380750678733e-09 7.494910676556459e-09 ] [ -6.213419469129027e-09 -3.333512897567573e-09 -7.386888082668258e-09 ] [ 1.468936100327965e-08 7.508448908896097e-09 1.480389900866768e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4342711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.191101544724148e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1168315 2.4983428 1.1786106 ] [ 4.517327 1.9299591 3.1055163 ] [ 2.7668602 2.6989883 4.6358141 ] [ 3.0780797 4.3141013 2.8214536 ] [ 5.5094186 4.1687675 3.0760973 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1168315e-10 2.4983428e-10 1.1786106e-10 ] [ 4.517327e-10 1.9299591e-10 3.1055163e-10 ] [ 2.7668602e-10 2.6989883e-10 4.6358141e-10 ] [ 3.0780797e-10 4.3141013e-10 2.8214536e-10 ] [ 5.5094186e-10 4.168767500000001e-10 3.0760973e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.82e-05 3.78e-05 7.3e-05 ] [ -2.61e-05 3.35e-05 -5.12e-05 ] [ -7.89e-05 -3.9e-05 7.23e-05 ] [ 2.24e-05 -4.69e-05 -4.16e-05 ] [ 3.44e-05 1.45e-05 -5.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.72249137588e-14 6.056227676519999e-14 1.16958894282e-13 ] [ -4.18168101474e-14 5.367291723899999e-14 -8.20314436608e-14 ] [ -1.264117364226e-13 -6.248488872599999e-14 1.158373706382e-13 ] [ 3.588875660159999e-14 -7.514208413459999e-14 -6.665054797439999e-14 ] [ 5.51148762096e-14 2.3231561193e-14 -8.4114273285e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.968569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.757358496021675e-18 } }