{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.4768652 -28.9505585 -12.0542461 ] [ -9.7940899 -7.1606971 -21.451208 ] [ -42.3094933 39.7465445 15.4072564 ] [ 76.2803192 -52.0651735 28.3184973 ] [ 4.4208409 2.0908574 -5.9159118 ] [ -11.1207117 46.3390272 -4.3043878 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.800102505900773e-08 -4.638390836995008e-08 -1.931303144190563e-08 ] [ -1.569186198907539e-08 -1.147270157677156e-08 -3.436862422867387e-08 ] [ -6.778728156163955e-08 6.368098488014121e-08 2.468514619812695e-08 ] [ 1.222145450563015e-07 -8.341760442685599e-08 4.537123468405208e-08 ] [ 7.082967992611529e-09 3.349922871305991e-09 -9.47833565476488e-09 ] [ -1.781734443919042e-08 7.424330662213044e-08 -6.896389556834664e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 45.742748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.328796202055023e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7706892 0.4206653 0.845765 ] [ -1.1856303 1.707964 1.2271 ] [ 0.3735452 3.2059371 2.2042339 ] [ 3.3608628 1.1240917 3.753372 ] [ 3.8379272 2.8653229 0.3227259 ] [ 2.3593749 1.9204055 1.8279015 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.706892e-11 4.206653e-11 8.45765e-11 ] [ -1.1856303e-10 1.707964e-10 1.2271e-10 ] [ 3.735452e-11 3.2059371e-10 2.2042339e-10 ] [ 3.3608628e-10 1.1240917e-10 3.753372e-10 ] [ 3.8379272e-10 2.8653229e-10 3.227259e-11 ] [ 2.3593749e-10 1.9204055e-10 1.8279015e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.4e-06 2.74e-05 2.52e-05 ] [ 8.2e-06 2.9e-06 1.9e-06 ] [ 2.06e-05 -2.98e-05 -1.56e-05 ] [ -1.02e-05 4.1e-06 -7.5e-06 ] [ -2.18e-05 -1.7e-06 2.42e-05 ] [ -2e-07 -2.9e-06 -2.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.4474005556e-15 4.389963977159999e-14 4.037485117679999e-14 ] [ 1.31378483988e-14 4.6463122386e-15 3.0441356046e-15 ] [ 3.300483866039999e-14 -4.77448636932e-14 -2.49939554904e-14 ] [ -1.63422016668e-14 6.568924199399999e-15 -1.2016324755e-14 ] [ -3.492745062119999e-14 -2.7237002778e-15 3.877267454279999e-14 ] [ -3.204353268e-16 -4.6463122386e-15 -4.51813810788e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.67369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.190766661855946e-18 } }