{ "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" [ [ 0.7045014 0.2355369 2.055051 ] [ 1.708902 0.7477632 0.4591625 ] [ 1.937226 0.5087463 2.438455 ] [ 2.901588 1.905013 2.706295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.045014e-11 2.355369e-11 2.055051e-10 ] [ 1.708902e-10 7.477632e-11 4.591625e-11 ] [ 1.937226e-10 5.087463e-11 2.438455e-10 ] [ 2.901588e-10 1.905013e-10 2.706295e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3306.4630477 -647.734384 -982.6148739 ] [ 23.8631771 14.5707264 -53.7530982 ] [ 3094.7654321 243.0858686 987.4010104 ] [ 187.8344385 390.077789 48.9669617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.297537792564056e-06 -1.03778488653309e-06 -1.57432257821292e-06 ] [ 3.823302444762994e-08 2.334487718615335e-08 -8.612195723160656e-08 ] [ 4.95836082217063e-06 3.894664955177809e-07 1.581990814217178e-06 ] [ 3.009439459457955e-07 6.249735138291555e-07 7.845372122734902e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 813.32121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.303084227862767e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.0732326 0.2061056 1.9936423 ] [ 1.5826426 0.3868657 -0.0116535 ] [ 2.4950476 0.2864575 2.4271897 ] [ 3.2477598 2.5176307 3.2497851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.32326e-12 2.061056e-11 1.9936423e-10 ] [ 1.5826426e-10 3.868657e-11 -1.16535e-12 ] [ 2.4950476e-10 2.864575e-11 2.4271897e-10 ] [ 3.2477598e-10 2.5176307e-10 3.2497851e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 -2.57e-05 -6.43e-05 ] [ -3.63e-05 -4.25e-05 7.57e-05 ] [ -8.4e-06 6.32e-05 -5.89e-05 ] [ 5e-05 4.9e-06 4.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 -4.117593915456e-14 -1.0301995671744e-13 ] [ -5.815901133504e-14 -6.8092506384e-14 1.2128477019456e-13 ] [ -1.345828361472e-14 1.0125756243456e-13 -9.436820296512001e-14 ] [ 8.010883104e-14 7.850665441919999e-15 7.610338948800001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.997029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92213593828596e-18 } }