{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 12.4210751 -26.3705211 -49.3322258 ] [ -22.5524883 23.1272977 41.5751417 ] [ -2.7004322 1.8368864 -3.4940549 ] [ 1.2240497 -0.9479491 0.6012826 ] [ 11.6077957 2.3542861 10.6498563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.990075613042102e-08 -4.22502323847331e-08 -7.90389388287866e-08 ] [ -3.613306949512554e-08 3.705401567722161e-08 6.661072003818717e-08 ] [ -4.32656933689551e-09 2.943016445145477e-09 -5.598093072571682e-09 ] [ 1.961143812037254e-09 -1.518781885728401e-09 9.633609242138382e-10 ] [ 1.859773888956277e-08 3.771982148094411e-09 1.706295077873959e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.4381531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.110705136351045e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2301914 1.8399496 -0.2770435 ] [ 0.147396 3.3382308 1.4957748 ] [ 1.8468572 0.2440781 0.206862 ] [ 2.763224 0.7560491 2.2787538 ] [ 1.7129066 2.668346 3.0753386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301914e-11 1.8399496e-10 -2.770435e-11 ] [ 1.47396e-11 3.3382308e-10 1.4957748e-10 ] [ 1.8468572e-10 2.440781e-11 2.06862e-11 ] [ 2.763224e-10 7.560491000000001e-11 2.2787538e-10 ] [ 1.7129066e-10 2.668346e-10 3.0753386e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 9.4e-06 1.43e-05 ] [ 3.27e-05 -3.01e-05 1.5e-06 ] [ -4.8e-06 5.5e-06 4e-06 ] [ -2.02e-05 3.73e-05 4.6e-06 ] [ -6.7e-06 -2.2e-05 -2.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 1.506046023552e-14 2.291112567744e-14 ] [ 5.239117550016001e-14 -4.822551628608e-14 2.4032649312e-15 ] [ -7.69044777984e-15 8.8119714144e-15 6.4087064832e-15 ] [ -3.236396774016e-14 5.976118795584e-14 7.370012455680001e-15 ] [ -1.073458335936e-14 -3.52478856576e-14 -3.909310954752e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }