{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -81.8514394 -18.4552903 -33.2528949 ] [ -186.9499536 -26.1163239 -97.2006074 ] [ -73.7302551 -21.5208228 58.154787 ] [ 50.1288238 13.3446614 12.8507322 ] [ 56.0776977 22.642171 1.2737102 ] [ 57.4188253 29.0373965 97.703668 ] [ 178.9063013 1.0682081 -39.5293951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.31140463665947e-07 -2.956863489234685e-08 -5.327701122163776e-08 ] [ -2.995268473853042e-07 -4.184296391855575e-08 -1.557325419868875e-07 ] [ -1.181288919400793e-07 -3.448015943461445e-08 9.317424088664694e-08 ] [ 8.031523018226308e-08 2.138050468372172e-08 2.058914286063141e-08 ] [ 8.984637694345554e-08 3.627675731923241e-08 2.040708720927467e-09 ] [ 9.199510024738803e-08 4.652303818449338e-08 1.565385339256935e-07 ] [ 2.866394956182238e-07 1.711458058069535e-09 -6.333307318537409e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.136097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.23159999633575e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7811451 1.4067801 2.5535095 ] [ 1.6026064 4.2122709 2.1530068 ] [ 1.458568 2.9433559 4.9195024 ] [ 4.4741635 1.5225623 2.7467993 ] [ 4.2365602 2.4688782 5.2669507 ] [ 4.4166891 4.0557691 1.807284 ] [ 3.5660407 5.0615693 4.3227973 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7811451e-10 1.4067801e-10 2.5535095e-10 ] [ 1.6026064e-10 4.2122709e-10 2.1530068e-10 ] [ 1.458568e-10 2.9433559e-10 4.9195024e-10 ] [ 4.474163500000001e-10 1.5225623e-10 2.7467993e-10 ] [ 4.236560200000001e-10 2.4688782e-10 5.2669507e-10 ] [ 4.4166891e-10 4.0557691e-10 1.807284e-10 ] [ 3.5660407e-10 5.0615693e-10 4.322797300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.3e-06 -9e-06 -2.78e-05 ] [ 8.7e-06 7.7e-06 2.75e-05 ] [ 1.63e-05 2.6e-06 -1.38e-05 ] [ 6.2e-06 8.5e-06 1.41e-05 ] [ -2.4e-06 3e-06 3.5e-06 ] [ -1.86e-05 -2.46e-05 -3.7e-06 ] [ -3.9e-06 1.18e-05 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.00937127942e-14 -1.4419589706e-14 -4.454051042519999e-14 ] [ 1.39389367158e-14 1.23367600818e-14 4.4059857435e-14 ] [ 2.61154791342e-14 4.165659248399999e-15 -2.21100375492e-14 ] [ 9.9334951308e-15 1.3618501389e-14 2.25906905394e-14 ] [ -3.845223921599999e-15 4.806529901999999e-15 5.607618218999999e-15 ] [ -2.98004853924e-14 -3.94135451964e-14 -5.9280535458e-15 ] [ -6.248488872599999e-15 1.89056842812e-14 1.602176634e-16 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554903238336e-18 } }