{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.1110196 -13.2040866 15.6847775 ] [ 1.5480321 23.9886502 -15.0880773 ] [ -23.3564339 -4.0047033 -15.781744 ] [ -3.2897995 25.2894349 22.6779901 ] [ 12.7760846 -27.9674202 -22.5328738 ] [ 11.3214367 4.0806667 -2.8824388 ] [ 18.1116996 -8.1825417 17.9223664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.741487556117057e-08 -2.115527884953856e-08 2.512978381294987e-08 ] [ 2.480220838867928e-09 3.843405451498925e-08 -2.417376470288319e-08 ] [ -3.742113233984056e-08 -6.416242000500608e-09 -2.528514127225068e-08 ] [ -5.27083984601953e-09 4.051814135002358e-08 3.633414554495386e-08 ] [ 2.046954405148292e-08 -4.480874678852966e-08 -3.610164360179686e-08 ] [ 1.81389411946071e-08 6.537948784017087e-09 -4.618176056246808e-09 ] [ 2.901814166207271e-08 -1.310987701046109e-08 2.871479643549147e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.833012 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.216292842164585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7208472 4.2204713 3.2987611 ] [ 2.5926327 5.5089157 0.3257125 ] [ 1.4172608 3.6167743 1.1206479 ] [ 2.7242312 4.2222366 4.5608308 ] [ 3.1945085 2.1320601 1.5961383 ] [ 4.5960197 5.5106798 1.5877776 ] [ 4.3888989 3.6193953 2.9926849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.208472000000001e-11 4.2204713e-10 3.2987611e-10 ] [ 2.5926327e-10 5.5089157e-10 3.257125e-11 ] [ 1.4172608e-10 3.6167743e-10 1.1206479e-10 ] [ 2.7242312e-10 4.2222366e-10 4.5608308e-10 ] [ 3.1945085e-10 2.1320601e-10 1.5961383e-10 ] [ 4.5960197e-10 5.5106798e-10 1.5877776e-10 ] [ 4.3888989e-10 3.6193953e-10 2.9926849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.02e-05 -1.5e-06 4.4e-06 ] [ -6e-07 -6e-06 -2e-06 ] [ 7.3e-06 5.5e-06 2.2e-06 ] [ -2e-07 4e-07 -9.2e-06 ] [ -3.8e-06 3.5e-06 5.1e-06 ] [ -1.3e-06 2.3e-06 6.4e-06 ] [ 8.8e-06 -4.1e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.634220153216e-14 -2.4032649312e-15 7.04957713152e-15 ] [ -9.6130597248e-16 -9.6130597248e-15 -3.2043532416e-15 ] [ 1.169588933184e-14 8.8119714144e-15 3.52478856576e-15 ] [ -3.2043532416e-16 6.408706483200001e-16 -1.474002491136e-14 ] [ -6.08827115904e-15 5.6076181728e-15 8.17110076608e-15 ] [ -2.08282960704e-15 3.68500622784e-15 1.025393037312e-14 ] [ 1.409915426304e-14 -6.568924145279999e-15 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }