{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1112903 -0.1077085 -11.237251 ] [ -5.0251526 -6.0056778 10.6269429 ] [ -0.575325 0.9767522 0.2741886 ] [ -0.0697206 -1.034334 -0.3389367 ] [ 4.5589079 6.1709681 0.6750561 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.78048335225085e-09 -1.72568041983189e-10 -1.800406098259313e-08 ] [ -8.051182078004348e-09 -9.622156642492525e-09 1.70262396052322e-08 ] [ -9.217722719560499e-10 1.564929552048094e-09 4.392985682291724e-10 ] [ -1.117047162284604e-10 -1.657185766551756e-09 -5.430364611450676e-10 ] [ 7.304175713938008e-09 9.886980898979373e-09 1.081559110059167e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.173116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.790130538417154e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0706886 2.8979706 1.0469589 ] [ 2.5933137 2.3803964 3.4962096 ] [ 1.8296282 4.492289 2.4678038 ] [ 4.7791839 1.8382202 2.4818402 ] [ 4.2492036 4.2173857 2.8813236 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0706886e-10 2.8979706e-10 1.0469589e-10 ] [ 2.5933137e-10 2.3803964e-10 3.4962096e-10 ] [ 1.8296282e-10 4.492289000000001e-10 2.4678038e-10 ] [ 4.7791839e-10 1.8382202e-10 2.4818402e-10 ] [ 4.249203600000001e-10 4.217385700000001e-10 2.8813236e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.22e-05 -2e-07 1.23e-05 ] [ 1.01e-05 3.2e-06 -1.77e-05 ] [ 3.5e-06 -2.8e-06 3.29e-05 ] [ -3.02e-05 -5.5e-06 8.3e-06 ] [ -2.55e-05 5.2e-06 -3.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.761185395480001e-14 -3.204353268e-16 1.97067725982e-14 ] [ 1.61819840034e-14 5.1269652288e-15 -2.83585264218e-14 ] [ 5.607618218999999e-15 -4.486094575199999e-15 5.271161125859999e-14 ] [ -4.838573434679999e-14 -8.811971486999999e-15 1.32980660622e-14 ] [ -4.0855504167e-14 8.331318496799998e-15 -5.751814116059999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.29999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291110984443366e-18 } }