{ "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" [ [ 2.336271 1.731327 1.289714 ] [ 2.769645 4.287083 1.737277 ] [ 4.480326 1.077167 0.108092 ] [ 5.392167 2.307543 2.197028 ] [ 3.12468 2.46702 3.187134 ] [ 4.416093 3.533887 0.3236582 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.336271e-10 1.731327e-10 1.289714e-10 ] [ 2.769645e-10 4.287083e-10 1.737277e-10 ] [ 4.480326e-10 1.077167e-10 1.08092e-11 ] [ 5.392167e-10 2.307543e-10 2.197028e-10 ] [ 3.12468e-10 2.467020000000001e-10 3.187134e-10 ] [ 4.416093e-10 3.533887e-10 3.236582e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.8511452 -13.6150103 -3.8418163 ] [ -3.4548995 11.6703789 -0.3809413 ] [ -0.3236038 -6.0797398 -3.766802 ] [ 9.5758579 -1.0802776 7.1170082 ] [ 0.8388459 -2.2184226 10.2029806 ] [ 7.2149447 11.3230713 -9.3304293 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.219198101074614e-08 -2.181365119461119e-08 -6.155268257268359e-09 ] [ -5.535359206113609e-09 1.869800822945762e-08 -6.10335244757159e-10 ] [ -5.184704427620391e-10 -9.740816968107268e-09 -6.035082099582682e-09 ] [ 1.534221565148299e-08 -1.730795514693934e-09 1.140270414808189e-08 ] [ 1.343979289433935e-09 -3.55430482477435e-09 1.634697697979595e-08 ] [ 1.155961571870487e-08 1.814156011251147e-08 -1.494899568648731e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1610568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.666747922780862e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3050804 1.0502369 1.3159258 ] [ 3.1076956 4.5902808 1.7770327 ] [ 4.5279472 1.5046685 0.2698187 ] [ 5.3754243 1.838036 2.5963325 ] [ 3.0573127 2.6123502 3.1148088 ] [ 4.1457219 3.8084546 -0.2310153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3050804e-10 1.0502369e-10 1.3159258e-10 ] [ 3.1076956e-10 4.5902808e-10 1.7770327e-10 ] [ 4.5279472e-10 1.5046685e-10 2.698187e-11 ] [ 5.3754243e-10 1.838036e-10 2.5963325e-10 ] [ 3.0573127e-10 2.6123502e-10 3.1148088e-10 ] [ 4.1457219e-10 3.8084546e-10 -2.310153e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 2.25e-05 1.93e-05 ] [ -3.5e-06 -1.46e-05 3.08e-05 ] [ 2.86e-05 -1.06e-05 3.14e-05 ] [ -1.37e-05 -1.18e-05 2.1e-06 ] [ 1.37e-05 -2.4e-06 -5.36e-05 ] [ -1.93e-05 1.71e-05 -3.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 3.604897396800001e-14 3.092200878144e-14 ] [ -5.6076181728e-15 -2.339177866368e-14 4.934703992064001e-14 ] [ 4.582225135488e-14 -1.698307218048e-14 5.030834589312e-14 ] [ -2.194981970496e-14 -1.890568412544e-14 3.36457090368e-15 ] [ 2.194981970496e-14 -3.84522388992e-15 -8.587666687488e-14 ] [ -3.092200878144e-14 2.739722021568e-14 -4.822551628608e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.132746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104097860810472e-18 } }