{ "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" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8179327 -1.8284736 -0.9625818 ] [ 4.1417766 1.1362503 -1.8255143 ] [ 1.1812811 -1.1536086 3.4419024 ] [ -1.8772804 2.0346242 -0.583358 ] [ 1.3721554 -0.1887924 -0.0704483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.71917913252782e-09 -2.929537653670011e-09 -1.542226055567582e-09 ] [ 6.635857637096513e-09 1.820473666036986e-09 -2.924796332396078e-09 ] [ 1.892620961012907e-09 -1.848284728473819e-09 5.51453555635541e-09 ] [ -3.007734767566073e-09 3.259827325353903e-09 -9.346425491566465e-10 ] [ 2.198435301984473e-09 -3.024787694647219e-10 -1.128706192351047e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9119078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.588062694468516e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7544215 2.8038756 2.843328 ] [ 3.4242932 3.1404895 2.7167792 ] [ 2.2785439 2.1364781 4.5486016 ] [ 0.6404206 5.0899226 2.4367438 ] [ 2.9301974 5.3786152 2.3282075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.544215e-11 2.8038756e-10 2.843328e-10 ] [ 3.4242932e-10 3.1404895e-10 2.7167792e-10 ] [ 2.2785439e-10 2.1364781e-10 4.5486016e-10 ] [ 6.404206e-11 5.089922600000001e-10 2.4367438e-10 ] [ 2.9301974e-10 5.3786152e-10 2.3282075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.23e-05 -2.4e-06 -1.26e-05 ] [ -1.05e-05 2.5e-06 1.09e-05 ] [ 1.95e-05 4.7e-06 -8e-07 ] [ -8.3e-06 4e-06 6e-07 ] [ 1.15e-05 -8.8e-06 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.970677243584e-14 -3.84522388992e-15 -2.018742542208e-14 ] [ -1.68228545184e-14 4.005441552e-15 1.746372516672e-14 ] [ 3.12424441056e-14 7.53023011776e-15 -1.28174129664e-15 ] [ -1.329806595264e-14 6.4087064832e-15 9.6130597248e-16 ] [ 1.84250311392e-14 -1.409915426304e-14 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.95897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.916038214284858e-18 } }