{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 35.3787563 -134.7029053 11.7302789 ] [ -26.8129672 133.3509294 -16.1146958 ] [ -15.8823304 -3.9716267 13.6718298 ] [ 13.1058063 -43.1129342 -81.3689935 ] [ 2.5928188 -25.7158213 112.0777805 ] [ -8.3820838 74.1523581 -39.9961999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.668301621684071e-08 -2.158178456254964e-07 1.879397860904354e-08 ] [ -4.295910918211724e-08 2.136517414466314e-07 -2.581858886206395e-08 ] [ -2.544629845070112e-08 -6.363247445285055e-09 2.190468606911674e-08 ] [ 2.099781645059335e-08 -6.907453522932875e-08 -1.303674990437272e-07 ] [ 4.154153663330711e-09 -4.120128767153067e-08 1.795683996282542e-07 ] [ -1.342957869794642e-08 1.188051745250095e-07 -6.40809764006233e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.726639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.762732602076149e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3202142 0.1853306 0.0595807 ] [ 0.2431569 2.7841789 -0.0979278 ] [ 0.2595727 1.5123646 2.3369569 ] [ 2.714706 -0.4766293 0.575264 ] [ 2.866928 1.1606361 2.5075892 ] [ 2.0492448 3.4758368 1.6381257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.202142e-11 1.853306e-11 5.95807e-12 ] [ 2.431569e-11 2.7841789e-10 -9.79278e-12 ] [ 2.595727e-11 1.5123646e-10 2.3369569e-10 ] [ 2.714706e-10 -4.766293e-11 5.75264e-11 ] [ 2.866928e-10 1.1606361e-10 2.5075892e-10 ] [ 2.0492448e-10 3.4758368e-10 1.6381257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.85e-05 1.78e-05 -3.06e-05 ] [ 1.83e-05 -6e-06 -2.51e-05 ] [ 3.07e-05 -4.32e-05 1.13e-05 ] [ -4.71e-05 -1.2e-06 -1.75e-05 ] [ 5.68e-05 2.35e-05 8.28e-05 ] [ -3.02e-05 9.1e-06 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.56620336928e-14 2.851874385024e-14 -4.902660459647999e-14 ] [ 2.931983216064e-14 -9.6130597248e-15 -4.021463318208e-14 ] [ 4.918682225856e-14 -6.921403001856e-14 1.810459581504e-14 ] [ -7.546251883968001e-14 -1.92261194496e-15 -2.8038090864e-14 ] [ 9.100363206143999e-14 3.76511505888e-14 1.3266022420224e-13 ] [ -4.838573394816e-14 1.457980724928e-14 -3.316505605055999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.426274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27264986528549e-18 } }