{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8859131 -50.5609843 -69.0104517 ] [ -14.8705429 28.4650869 20.0069627 ] [ -14.0753534 40.7357273 33.1580149 ] [ -1.2966097 -80.1003491 45.196252 ] [ 32.128419 61.4605193 -29.3507779 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.021565902574505e-09 -8.100762763750085e-08 -1.105669332155256e-07 ] [ -2.38252363692746e-08 4.560609711595948e-08 3.205468815524955e-08 ] [ -2.255120233277245e-08 6.526583044905591e-08 5.312499670260384e-08 ] [ -2.07739776475775e-09 -1.283349077032629e-07 7.241237889877576e-08 ] [ 5.147540220916164e-08 9.847060793596603e-08 -4.702513054110358e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 39.569407 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.339717931663603e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1685769 0.3868179 -0.4870419 ] [ -0.1044654 2.7608919 0.6469505 ] [ 1.2948066 2.3315995 3.1768816 ] [ 2.0744753 -0.3114698 2.202667 ] [ 3.1690373 2.4154938 0.7175066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1685769e-10 3.868179e-11 -4.870419000000001e-11 ] [ -1.044654e-11 2.7608919e-10 6.469505e-11 ] [ 1.2948066e-10 2.3315995e-10 3.1768816e-10 ] [ 2.0744753e-10 -3.114698000000001e-11 2.202667e-10 ] [ 3.1690373e-10 2.4154938e-10 7.175066e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.2e-06 3e-06 -6.8e-06 ] [ 3.8e-06 -3.9e-06 4.3e-06 ] [ -5.1e-06 7.3e-06 -1.3e-06 ] [ 4.6e-06 -4.1e-06 2.6e-06 ] [ 1e-06 -2.2e-06 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.729141862799999e-15 4.806529901999999e-15 -1.08948011112e-14 ] [ 6.088271209199999e-15 -6.248488872599999e-15 6.8893595262e-15 ] [ -8.1711008334e-15 1.16958894282e-14 -2.0828296242e-15 ] [ 7.370012516399999e-15 -6.568924199399999e-15 4.165659248399999e-15 ] [ 1.602176634e-15 -3.5247885948e-15 1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689415863031e-18 } }