{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4314663 0.9036294 0.7794334 ] [ 1.004832 0.4139501 2.5602 ] [ 0.3021018 2.478458 1.913452 ] [ 2.709186 0.4632097 1.441964 ] [ 2.312911 2.26354 0.6044428 ] [ 2.800336 2.901369 2.552849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.314663000000001e-11 9.036294e-11 7.794334000000001e-11 ] [ 1.004832e-10 4.139501e-11 2.5602e-10 ] [ 3.021018e-11 2.478458e-10 1.913452e-10 ] [ 2.709186e-10 4.632097e-11 1.441964e-10 ] [ 2.312911e-10 2.26354e-10 6.044428e-11 ] [ 2.800336e-10 2.901369e-10 2.552849e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.3318016 -26.3495274 -83.0112979 ] [ 0.9781379 -11.1001923 63.1516987 ] [ 4.4590373 40.1319178 29.7653344 ] [ 17.636508 -16.6294101 -0.9530282 ] [ -13.185531 16.1423078 -14.929788 ] [ -2.5563507 -2.1950958 5.977081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.174684111186403e-08 -4.221659676940901e-08 -1.329987607576441e-07 ] [ 1.567149675298408e-09 -1.778446858944418e-08 1.011801752209458e-07 ] [ 7.144165313335156e-09 6.429842044702737e-08 4.768932288597399e-08 ] [ 2.825680079015217e-08 -2.664325207991539e-08 -1.526919501003107e-09 ] [ -2.112554950103364e-08 2.586282816291748e-08 -2.392015728710039e-08 ] [ -4.095725326105714e-09 -3.516931171176273e-09 9.576339438827884e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.336243 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.258225308950766e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6598979 0.7820707 0.6680183 ] [ 1.0815891 0.7019799 2.8360211 ] [ 0.4495091 2.6029958 1.9027006 ] [ 2.7374352 0.5383895 1.3814126 ] [ 2.1053555 2.4394058 0.4480928 ] [ 2.5270463 2.3593147 2.6160959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.598979e-11 7.820707000000001e-11 6.680183e-11 ] [ 1.0815891e-10 7.019799e-11 2.8360211e-10 ] [ 4.495091e-11 2.6029958e-10 1.9027006e-10 ] [ 2.7374352e-10 5.383895e-11 1.3814126e-10 ] [ 2.1053555e-10 2.4394058e-10 4.480928e-11 ] [ 2.5270463e-10 2.3593147e-10 2.6160959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 -1.25e-05 -1.67e-05 ] [ -1.3e-05 -1.73e-05 2.1e-06 ] [ -1.25e-05 2.17e-05 2.14e-05 ] [ 1.2e-05 1.5e-06 1.25e-05 ] [ 6.2e-06 -1e-06 2e-07 ] [ 1.16e-05 7.6e-06 -1.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.04957713152e-15 -2.002720776e-14 -2.675634956736e-14 ] [ -2.08282960704e-14 -2.771765553984e-14 3.36457090368e-15 ] [ -2.002720776e-14 3.476723267136e-14 3.428657968511999e-14 ] [ 1.92261194496e-14 2.4032649312e-15 2.002720776e-14 ] [ 9.93349504896e-15 -1.6021766208e-15 3.2043532416e-16 ] [ 1.858524880128e-14 1.217654231808e-14 -3.108222644352e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }