{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.107976 2.819188 1.252407 ] [ 2.630591 3.411672 3.024039 ] [ 3.968262 4.362454 1.692316 ] [ 3.394725 3.292047 0.1208017 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.107976e-10 2.819188e-10 1.252407e-10 ] [ 2.630591e-10 3.411672e-10 3.024039e-10 ] [ 3.968262e-10 4.362454e-10 1.692316e-10 ] [ 3.394725e-10 3.292047e-10 1.208017e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9559836 -0.7764776 -1.7003021 ] [ -8.6062724 -5.8756988 11.9143706 ] [ 19.4635937 24.3943397 16.974459 ] [ -9.9013377 -17.7421633 -27.1885275 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.531654586407202e-09 -1.244054267544398e-09 -2.724184295361131e-09 ] [ -1.37887685451191e-08 -9.413907325781838e-09 1.908892618413656e-08 ] [ 3.118411503980961e-08 3.908404106919857e-08 2.7196081584591e-08 ] [ -1.58636919082833e-08 -2.842607947587233e-08 -4.356082347336643e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.847088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.163714502541791e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2637636 2.5901733 1.2299701 ] [ 2.3833425 3.5706815 3.2496628 ] [ 4.2870063 4.3525206 1.8148093 ] [ 3.1674417 3.3719856 -0.2048786 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2637636e-10 2.5901733e-10 1.2299701e-10 ] [ 2.3833425e-10 3.5706815e-10 3.2496628e-10 ] [ 4.2870063e-10 4.3525206e-10 1.8148093e-10 ] [ 3.1674417e-10 3.3719856e-10 -2.048786e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.77e-05 -1.39e-05 -2.9e-06 ] [ 5e-07 3.3e-06 -3e-06 ] [ 1.76e-05 6.7e-06 3.5e-06 ] [ -4e-07 3.9e-06 2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.83585264218e-14 -2.22702552126e-14 -4.6463122386e-15 ] [ 8.010883169999999e-16 5.2871828922e-15 -4.806529901999999e-15 ] [ 2.81983087584e-14 1.07345834478e-14 5.607618218999999e-15 ] [ -6.408706536e-16 6.248488872599999e-15 3.685006258199999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.092648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937455806878683e-18 } }