{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4017992 -5.1044731 -2.392822 ] [ -3.7840891 0.6493153 3.1405231 ] [ -0.1876096 4.1235812 -3.9466299 ] [ 2.0189673 0.0102751 -0.3162026 ] [ 3.5718282 -1.3420924 1.9463926 ] [ -0.5244081 -0.9345731 0.040946 ] [ 1.3071106 2.5979669 1.5277929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.848106526096144e-09 -8.1782674623225e-09 -3.833723466135897e-09 ] [ -6.062779087044113e-09 1.040317793187738e-09 5.03167268790234e-09 ] [ -3.005837149576397e-10 6.60670539261041e-09 -6.323198156730242e-09 ] [ 3.2347422062197e-09 1.646252499638208e-11 -5.066124131561741e-10 ] [ 5.722699635554146e-09 -2.150269066233362e-09 3.118464718618126e-09 ] [ -8.401943975781486e-10 -1.497351171248581e-09 6.560272391527681e-11 ] [ 2.09422204411986e-09 4.162401828792251e-09 2.447794065804232e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.667006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.709042762713333e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6049208 1.3845018 2.6241312 ] [ 1.6659657 3.1825343 3.6509324 ] [ 2.0967631 4.5222969 1.830501 ] [ 4.7443789 2.1218865 2.4053218 ] [ 5.001809 2.2356174 4.689032 ] [ 4.3270521 4.4233981 2.3864096 ] [ 3.5818005 4.045712 4.6785331 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6049208e-10 1.3845018e-10 2.6241312e-10 ] [ 1.6659657e-10 3.1825343e-10 3.6509324e-10 ] [ 2.0967631e-10 4.5222969e-10 1.830501e-10 ] [ 4.7443789e-10 2.1218865e-10 2.4053218e-10 ] [ 5.001809e-10 2.2356174e-10 4.689032e-10 ] [ 4.327052100000001e-10 4.4233981e-10 2.3864096e-10 ] [ 3.5818005e-10 4.045712e-10 4.678533100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 8e-06 -1.47e-05 ] [ -1.75e-05 -1.43e-05 2.61e-05 ] [ 2.1e-05 -1.59e-05 -6e-06 ] [ -2.2e-06 1.52e-05 1.7e-05 ] [ -7.3e-06 -2.71e-05 -9.5e-06 ] [ -8.4e-06 6.2e-06 -9e-06 ] [ 9.7e-06 2.8e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 1.28174129664e-14 -2.355199632576e-14 ] [ -2.8038090864e-14 -2.291112567744e-14 4.181680980288e-14 ] [ 3.36457090368e-14 -2.547460827072e-14 -9.6130597248e-15 ] [ -3.52478856576e-15 2.435308463616e-14 2.72370025536e-14 ] [ -1.169588933184e-14 -4.341898642368e-14 -1.52206778976e-14 ] [ -1.345828361472e-14 9.93349504896e-15 -1.44195895872e-14 ] [ 1.554111322176e-14 4.48609453824e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }