{ "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" [ [ 1.305811 2.49596 1.153083 ] [ 2.737889 0.6120376 2.536176 ] [ 2.287817 4.454983 1.771215 ] [ 3.462438 1.614504 0.7986264 ] [ 3.194185 2.806829 3.238803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.305811e-10 2.49596e-10 1.153083e-10 ] [ 2.737889e-10 6.120375999999999e-11 2.536176e-10 ] [ 2.287817e-10 4.454983e-10 1.771215e-10 ] [ 3.462438e-10 1.614504e-10 7.986264e-11 ] [ 3.194185e-10 2.806829e-10 3.238803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9250554 -0.6700022 -3.4293847 ] [ -1.6985974 -3.6075291 4.3505593 ] [ 0.1617615 1.3987125 0.6083269 ] [ 2.7402589 1.1332812 -5.5302946 ] [ 2.7216324 1.7455375 4.0007932 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.288631997224793e-09 -1.073461860724566e-09 -5.494479990069221e-09 ] [ -2.721453042431666e-09 -5.779898782875665e-09 6.970364397864013e-09 ] [ 2.591704934455392e-10 2.24098446672072e-09 9.746471369837395e-10 ] [ 4.390378744519125e-09 1.815716643432169e-09 -8.860508714256489e-09 ] [ 4.360535801691794e-09 2.79665937322968e-09 6.40997732969562e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8037233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.410511964725222e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.733813 3.0068957 0.2301226 ] [ 3.5572469 0.8903376 2.7451106 ] [ 1.9087481 4.2244411 2.2009422 ] [ 2.7526382 0.9463049 0.5664359 ] [ 3.0356937 2.9163343 3.755292 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.733813e-10 3.0068957e-10 2.301226e-11 ] [ 3.5572469e-10 8.903376e-11 2.7451106e-10 ] [ 1.9087481e-10 4.2244411e-10 2.2009422e-10 ] [ 2.7526382e-10 9.463049e-11 5.664359e-11 ] [ 3.0356937e-10 2.9163343e-10 3.755292e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 5e-06 2.1e-06 ] [ -3.1e-06 -2.3e-06 -7.2e-06 ] [ 8e-06 -1.32e-05 4.8e-06 ] [ 5.1e-06 2.9e-06 1.28e-05 ] [ -7.2e-06 7.5e-06 -1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 8.010883104e-15 3.36457090368e-15 ] [ -4.96674752448e-15 -3.68500622784e-15 -1.153567166976e-14 ] [ 1.28174129664e-14 -2.114873139456e-14 7.69044777984e-15 ] [ 8.17110076608e-15 4.646312200320001e-15 2.050786074624e-14 ] [ -1.153567166976e-14 1.2016324656e-14 -1.986699009792e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389300278433e-18 } }