{ "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" [ [ 7.1198467 5.7519156 1.3259228 ] [ 0.9872082 5.8242357 4.0656026 ] [ -0.6300611 -12.3031935 2.7530306 ] [ -3.0298314 2.0956821 -1.3846506 ] [ -4.4471624 -1.36864 -6.7599054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.140725192642003e-08 9.215584699134803e-09 2.124362511145675e-09 ] [ 1.581681897902051e-09 9.331454272568724e-09 6.513813435183694e-09 ] [ -1.009469164095531e-09 -1.971188898687853e-08 4.410841263666997e-09 ] [ -4.854325034045733e-09 3.357652865249047e-09 -2.218454819296693e-09 ] [ -7.125139626180818e-09 -2.192803010291712e-09 -1.083056239069967e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7845029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.08699719301298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8104272 3.0165605 0.30886 ] [ 3.4156708 0.9131375 2.7141432 ] [ 2.0612094 4.1778822 2.17232 ] [ 2.647528 0.9988459 0.6437199 ] [ 3.0533046 2.8778875 3.6588603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8104272e-10 3.016560500000001e-10 3.0886e-11 ] [ 3.4156708e-10 9.131375000000001e-11 2.7141432e-10 ] [ 2.0612094e-10 4.1778822e-10 2.17232e-10 ] [ 2.647528e-10 9.988459e-11 6.437199e-11 ] [ 3.0533046e-10 2.8778875e-10 3.6588603e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 2.14e-05 -8.8e-06 ] [ 1.2e-06 5.5e-06 5e-06 ] [ -7e-06 -3.7e-06 -2.06e-05 ] [ 1.1e-06 -1.51e-05 -6.4e-06 ] [ 1.36e-05 -8.1e-06 3.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 3.428657968511999e-14 -1.409915426304e-14 ] [ 1.92261194496e-15 8.8119714144e-15 8.010883104e-15 ] [ -1.12152363456e-14 -5.928053496960001e-15 -3.300483838848e-14 ] [ 1.76239428288e-15 -2.419286697408e-14 -1.025393037312e-14 ] [ 2.178960204288e-14 -1.297763062848e-14 4.918682225856e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.370748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821794660660836e-18 } }