{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7711971 -5.3614886 5.2583938 ] [ -1.5681563 7.2157982 -2.5894081 ] [ -8.1504856 -0.8500698 -7.7617556 ] [ 1.8182904 7.243095 5.7829541 ] [ 3.8139058 -7.4745168 -3.5101647 ] [ 4.5679545 0.5152026 -1.0536392 ] [ 5.2896883 -1.2880207 3.8736197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.24647706764876e-09 -8.590051687605724e-09 8.424875609319671e-09 ] [ -2.512463361620231e-09 1.156098317645072e-08 -4.148689119530148e-09 ] [ -1.305851747648706e-08 -1.361961959608132e-09 -1.243570335868348e-08 ] [ 2.91322236870508e-09 1.160471747123338e-08 9.265313858179507e-09 ] [ 6.110550706693521e-09 -1.197549606873683e-08 -5.623903817497445e-09 ] [ 7.318669904778154e-09 8.25445560695374e-10 -1.688116092998415e-09 ] [ 8.475014925579296e-09 -2.063636652646451e-09 6.20622292121031e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3284295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.494579165368103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8789863 3.3823687 3.4741616 ] [ 2.5104275 5.8007238 1.3689905 ] [ 1.4091057 3.5927324 1.0279251 ] [ 2.5247156 5.3362767 3.7462576 ] [ 3.5853933 2.5588225 1.2771768 ] [ 4.7936638 4.8119485 1.0247438 ] [ 3.9321067 3.3476604 3.5632976 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.789863e-11 3.3823687e-10 3.4741616e-10 ] [ 2.5104275e-10 5.8007238e-10 1.3689905e-10 ] [ 1.4091057e-10 3.5927324e-10 1.0279251e-10 ] [ 2.5247156e-10 5.3362767e-10 3.7462576e-10 ] [ 3.5853933e-10 2.5588225e-10 1.2771768e-10 ] [ 4.7936638e-10 4.8119485e-10 1.0247438e-10 ] [ 3.9321067e-10 3.3476604e-10 3.5632976e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 -7.3e-06 -2.8e-06 ] [ -8.8e-06 -1.1e-05 -8.5e-06 ] [ 1.8e-06 -6.9e-06 9e-07 ] [ 1.8e-05 2.36e-05 1.7e-06 ] [ 4.3e-06 3.38e-05 1.47e-05 ] [ -1.7e-06 -1e-06 5e-07 ] [ -3.13e-05 -3.12e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 -1.169588933184e-14 -4.48609453824e-15 ] [ -1.409915426304e-14 -1.76239428288e-14 -1.36185012768e-14 ] [ 2.88391791744e-15 -1.105501868352e-14 1.44195895872e-15 ] [ 2.88391791744e-14 3.781136825088e-14 2.72370025536e-15 ] [ 6.889359469440001e-15 5.415356978304e-14 2.355199632576e-14 ] [ -2.72370025536e-15 -1.6021766208e-15 8.010883104e-16 ] [ -5.014812823104e-14 -4.998791056896e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9983780561006e-18 } }