{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2451299 -7.3798465 1.7821178 ] [ 2.2647479 12.614372 -4.4248194 ] [ 0.6050366 0.1903018 -7.9702227 ] [ -9.0103026 -8.2956638 5.631776 ] [ 5.5213755 -9.316643 -1.9838076 ] [ 7.0263597 12.1069616 -4.591538 ] [ -1.1620872 0.0805179 11.5564938 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.403624498839042e-09 -1.182381752739271e-08 2.85526747467153e-09 ] [ 3.628526137385897e-09 2.021045190447414e-08 -7.089342193942283e-09 ] [ 9.693754952483214e-10 3.048970948561574e-10 -1.276970447250945e-08 ] [ -1.443609617205345e-08 -1.329111859437689e-08 9.023099840782543e-09 ] [ 8.84621874075791e-09 -1.492690759893997e-08 -3.178410156885358e-09 ] [ 1.12574692406713e-08 1.939749082444336e-08 -7.35645483711479e-09 ] [ -1.861868943170934e-09 1.290038969359123e-10 1.851554418478015e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.462949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.637655199722274e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8803398 1.0020377 3.8705153 ] [ 2.1268954 5.5055912 2.0880203 ] [ 2.7324746 3.0804344 1.0727915 ] [ 0.9180534 3.3324076 3.0276738 ] [ 4.1363487 1.7471753 2.818105 ] [ 4.3365466 4.4372006 2.941436 ] [ 2.9156686 3.3083903 4.8126529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8803398e-10 1.0020377e-10 3.8705153e-10 ] [ 2.1268954e-10 5.5055912e-10 2.0880203e-10 ] [ 2.7324746e-10 3.0804344e-10 1.0727915e-10 ] [ 9.180534e-11 3.3324076e-10 3.0276738e-10 ] [ 4.1363487e-10 1.7471753e-10 2.818105e-10 ] [ 4.3365466e-10 4.4372006e-10 2.941436e-10 ] [ 2.9156686e-10 3.3083903e-10 4.8126529e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 6.3e-06 -7.2e-06 ] [ -1.95e-05 2.78e-05 -3.4e-06 ] [ 2.39e-05 -9.5e-06 -4.7e-06 ] [ -5.1e-06 -2.72e-05 2.41e-05 ] [ -2.71e-05 -7.9e-06 -7.2e-06 ] [ 2.25e-05 -1.21e-05 1.66e-05 ] [ -2.5e-06 2.26e-05 -1.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 1.009371271104e-14 -1.153567166976e-14 ] [ -3.12424441056e-14 4.454051005824e-14 -5.44740051072e-15 ] [ 3.829202123712e-14 -1.52206778976e-14 -7.53023011776e-15 ] [ -8.17110076608e-15 -4.357920408576e-14 3.861245656128e-14 ] [ -4.341898642368e-14 -1.265719530432e-14 -1.153567166976e-14 ] [ 3.604897396800001e-14 -1.938633711168e-14 2.659613190528e-14 ] [ -4.005441552e-15 3.620919163008e-14 -2.915961449856e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616330232307e-18 } }