{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0641158 0.8384856 -2.940502 ] [ 1.4857643 -0.3113511 3.0425478 ] [ -2.3705813 3.38453 -1.4816528 ] [ 0.3322438 1.4520007 -0.6645387 ] [ -2.416057 -3.3161969 -2.7503243 ] [ 1.1555546 -1.2877811 2.5833899 ] [ -0.2510402 -0.7596871 2.2110802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.307078077383889e-09 1.343402025197461e-09 -4.711203557815642e-09 ] [ 2.380456825479278e-09 -4.988394532803628e-10 4.874698952826473e-09 ] [ -3.798089936565671e-09 5.422614838396224e-09 -2.373869476302858e-09 ] [ 5.32313248765751e-10 2.326361574925235e-09 -1.064708368756825e-09 ] [ -3.870950039920186e-09 -5.313133143149435e-09 -4.406505293078125e-09 ] [ 1.851402564177896e-09 -2.063252771128106e-09 4.13904690019085e-09 ] [ -4.022107393209562e-10 -1.217152910743352e-09 3.542541003153788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.121899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.86475426270989e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9731347 2.0556921 1.2121884 ] [ 2.061853 1.720127 3.75235 ] [ 2.2452235 4.0171222 2.6284759 ] [ 3.3937898 0.2869469 2.0955966 ] [ 4.3341715 2.6701059 2.0001833 ] [ 4.5438786 1.1552196 4.0578738 ] [ 3.8340338 3.4606027 4.387204 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9731347e-10 2.0556921e-10 1.2121884e-10 ] [ 2.061853e-10 1.720127e-10 3.75235e-10 ] [ 2.2452235e-10 4.0171222e-10 2.6284759e-10 ] [ 3.3937898e-10 2.869469e-11 2.0955966e-10 ] [ 4.3341715e-10 2.6701059e-10 2.0001833e-10 ] [ 4.543878600000001e-10 1.1552196e-10 4.057873800000001e-10 ] [ 3.8340338e-10 3.4606027e-10 4.387204e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.62e-05 -5.2e-06 -4.43e-05 ] [ 1.98e-05 2.73e-05 7.42e-05 ] [ 3.56e-05 2.7e-05 4.93e-05 ] [ 5.9e-06 -0.0001098 -2.35e-05 ] [ -4.8e-06 9.9e-06 2.58e-05 ] [ -3.39e-05 5.63e-05 -6.35e-05 ] [ -4.88e-05 -5.5e-06 -1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.197702746496e-14 -8.33131842816e-15 -7.097642430144e-14 ] [ 3.172309709184e-14 4.373942174784e-14 1.1888150526336e-13 ] [ 5.703748770048e-14 4.32587687616e-14 7.898730740544e-14 ] [ 9.45284206272e-15 -1.7591899296384e-13 -3.76511505888e-14 ] [ -7.69044777984e-15 1.586154854592e-14 4.133615681664e-14 ] [ -5.431378744512e-14 9.020254375104e-14 -1.017382154208e-13 ] [ -7.818621909504e-14 -8.8119714144e-15 -2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }