{ "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" [ [ 0.0198307 -1.7029506 1.8785943 ] [ -1.026778 1.3576188 0.0380809 ] [ -3.0878722 1.2827953 -2.2920651 ] [ 0.1376918 2.3759777 0.5427402 ] [ 2.7367958 -1.9760819 -1.1112506 ] [ 0.2166332 -0.8775415 0.6872586 ] [ 1.0036987 -0.4598178 0.2566418 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.177228391409856e-11 -2.728427637697333e-09 3.009839867428142e-09 ] [ -1.645079706351782e-09 2.175145101318551e-09 6.101232767902271e-11 ] [ -4.947316646858262e-09 2.055264638932122e-09 -3.672293116571614e-09 ] [ 2.206065828358695e-10 3.806735922482156e-09 8.695656596083162e-10 ] [ 4.384830246663633e-09 -3.166032220966044e-09 -1.780419731169973e-09 ] [ 3.470846483290906e-10 -1.405976475081763e-09 1.101109661363739e-09 ] [ 1.608102591467353e-09 -7.367093289876902e-10 4.111854918800294e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.972622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.680619788687574e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.989159 2.821058 3.2354955 ] [ 2.9345751 5.8069876 1.2410279 ] [ 1.1886914 4.1668092 1.3270994 ] [ 1.9841193 5.2854422 3.3788624 ] [ 2.9412316 2.5548026 1.0518393 ] [ 4.6056912 4.1643973 1.4887314 ] [ 3.9909314 4.0310362 3.759497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.989159e-10 2.821058e-10 3.2354955e-10 ] [ 2.9345751e-10 5.8069876e-10 1.2410279e-10 ] [ 1.1886914e-10 4.166809200000001e-10 1.3270994e-10 ] [ 1.9841193e-10 5.285442200000001e-10 3.3788624e-10 ] [ 2.9412316e-10 2.5548026e-10 1.0518393e-10 ] [ 4.6056912e-10 4.1643973e-10 1.4887314e-10 ] [ 3.9909314e-10 4.0310362e-10 3.759497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.22e-05 -1.8e-06 2.43e-05 ] [ -2.05e-05 7e-06 1.18e-05 ] [ 2.68e-05 -1.89e-05 -1.12e-05 ] [ 1.64e-05 6.5e-06 -5e-06 ] [ -2.56e-05 1.67e-05 -1.03e-05 ] [ 2.66e-05 -6.9e-06 -1.34e-05 ] [ -3.59e-05 -2.6e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.954655477376e-14 -2.88391791744e-15 3.893289188544e-14 ] [ -3.28446207264e-14 1.12152363456e-14 1.890568412544e-14 ] [ 4.293833343744e-14 -3.028113813312e-14 -1.794437815296e-14 ] [ 2.627569658112e-14 1.04141480352e-14 -8.010883104e-15 ] [ -4.101572149248001e-14 2.675634956736e-14 -1.650241919424e-14 ] [ 4.261789811328e-14 -1.105501868352e-14 -2.146916671872e-14 ] [ -5.751814068672e-14 -4.16565921408e-15 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }