{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4011388 -1.9063097 0.8100161 ] [ -0.5226807 1.1535317 -1.2302243 ] [ -0.6070378 0.7919743 3.8833897 ] [ 8.3416643 -9.0825513 -22.8892283 ] [ 0.5507031 -0.5369951 28.691938 ] [ -2.36151 9.58035 -9.2658913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.653578311055767e-09 -3.054244833344262e-09 1.297788857891595e-09 ] [ -8.374267976833786e-10 1.848161521091679e-09 -1.971036611800045e-09 ] [ -9.725817711018662e-10 1.268882707734446e-09 6.221876186795525e-09 ] [ 1.3364819520022e-08 -1.455185135007665e-08 -3.667258645041373e-08 ] [ 8.823236318220844e-10 -8.60360994704158e-10 4.596955226904311e-08 ] [ -3.783556111785408e-09 1.534941278908128e-08 -1.484559441173412e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.760657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.025236724247866e-19 } "relaxed-configuration-positions" { "source-value" [ [ -1.0992826 0.9756874 1.9974167 ] [ 0.3218411 2.5335577 0.6629302 ] [ 0.8390983 2.0741258 3.1214879 ] [ 3.9196222 1.2833459 0.9989789 ] [ 3.037306 1.3322981 3.137142 ] [ 2.2795602 2.0053028 -0.4644394 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.0992826e-10 9.756874e-11 1.9974167e-10 ] [ 3.218411e-11 2.5335577e-10 6.629302000000001e-11 ] [ 8.390983e-11 2.0741258e-10 3.1214879e-10 ] [ 3.9196222e-10 1.2833459e-10 9.989789000000001e-11 ] [ 3.037306e-10 1.3322981e-10 3.137142e-10 ] [ 2.2795602e-10 2.0053028e-10 -4.644394e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 7.8e-06 1.06e-05 ] [ 4.9e-06 -6.3e-06 -1.95e-05 ] [ -1.62e-05 2.8e-06 4.6e-06 ] [ 1.5e-05 8.1e-06 3.1e-06 ] [ 4.8e-06 -1.41e-05 -9.4e-06 ] [ -1.13e-05 1.8e-06 1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 1.249697764224e-14 1.698307218048e-14 ] [ 7.850665441919999e-15 -1.009371271104e-14 -3.12424441056e-14 ] [ -2.595526125696e-14 4.48609453824e-15 7.370012455680001e-15 ] [ 2.4032649312e-14 1.297763062848e-14 4.96674752448e-15 ] [ 7.69044777984e-15 -2.259069035328e-14 -1.506046023552e-14 ] [ -1.810459581504e-14 2.88391791744e-15 1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.748985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.363047894752989e-18 } }