{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.124949 1.9800217 0.6133023 ] [ -1.9307916 0.2323311 -0.5182347 ] [ -6.4815478 -0.9714878 0.9902849 ] [ -3.4413265 -6.2373547 -4.1196921 ] [ 0.961724 -1.1388301 1.298778 ] [ 5.0316188 2.3159961 -0.925893 ] [ 0.7353742 3.8193238 2.6614547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.211073538241665e-09 3.172344502552958e-09 9.82618614638458e-10 ] [ -3.093469186643474e-09 3.722354597715173e-10 -8.303035272679998e-10 ] [ -1.038458443731411e-08 -1.556495053376065e-09 1.586611327783026e-09 ] [ -5.513612908265001e-09 -9.993343958310078e-09 -6.600474421894391e-09 ] [ 1.540851721157016e-09 -1.824606976315884e-09 2.080871764353252e-09 ] [ 8.06154207255512e-09 3.710634835855127e-09 -1.483444130184162e-09 ] [ 1.178199360486443e-09 6.119231350040089e-09 4.26412053278948e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.498809 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.32296530006289e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3845155 1.0645879 1.4949615 ] [ 1.3472598 2.1984103 3.7354988 ] [ 1.1990015 3.5549208 1.6271932 ] [ 3.801051 1.2658932 1.7446962 ] [ 3.5616284 1.0929963 4.1649382 ] [ 3.6207156 3.7118867 1.8561881 ] [ 3.37098 3.5844256 4.277161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3845155e-10 1.0645879e-10 1.4949615e-10 ] [ 1.3472598e-10 2.1984103e-10 3.7354988e-10 ] [ 1.1990015e-10 3.5549208e-10 1.6271932e-10 ] [ 3.801051e-10 1.2658932e-10 1.7446962e-10 ] [ 3.5616284e-10 1.0929963e-10 4.1649382e-10 ] [ 3.6207156e-10 3.7118867e-10 1.8561881e-10 ] [ 3.37098e-10 3.5844256e-10 4.277161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0008179 -0.0183888 -0.0142647 ] [ 0.0284508 0.0066204 0.0203132 ] [ -0.0073538 0.0185295 -0.0191377 ] [ -0.0017159 -0.0052461 -0.0027478 ] [ -0.0068854 0.0212324 -0.0037341 ] [ -0.007435 -0.0065943 0.0102887 ] [ -0.0042427 -0.016153 0.0092823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3104202689486e-12 -2.94621056872992e-11 -2.28545690310198e-11 ] [ 4.558320697860719e-11 1.06070501877336e-11 3.25453344017688e-11 ] [ -1.17820865311092e-11 2.9687531939703e-11 -3.066197576850179e-11 ] [ -2.7491748862806e-12 -8.4051788396274e-12 -4.402460954905199e-12 ] [ -1.10316269957436e-11 3.40180551637416e-11 -5.982687769019399e-12 ] [ -1.191218327379e-11 -1.05652333775862e-11 1.64843147342358e-11 ] [ -6.7975548050718e-12 -2.5879959169002e-11 1.48718841697782e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.655917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828789766924337e-18 } }