{ "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" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5874003 -10.4857492 -17.1740419 ] [ -5.9223165 -1.7971792 5.2636985 ] [ -10.7995361 19.1198092 20.3739038 ] [ 22.4694363 -21.2701368 5.8330518 ] [ 7.8398166 14.433256 -14.2966122 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.176941509811091e-08 -1.68000222198123e-08 -2.751584841681961e-08 ] [ -9.488597037278084e-09 -2.879398497628047e-09 8.43337467564003e-09 ] [ -1.730276425490561e-08 3.063331129439675e-08 3.264259234278828e-08 ] [ 3.600000552241486e-08 -3.407851590217773e-08 9.345579221875358e-09 ] [ 1.256077086787975e-08 2.312462532522132e-08 -2.290569782348405e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.3630505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.183847644069751e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5209313 -0.0588344 0.7832685 ] [ 0.0943273 0.8703017 2.9299952 ] [ 1.3362407 2.8908506 3.2293765 ] [ 2.3221205 1.0709636 1.8781756 ] [ 2.6279695 3.3691087 1.2912256 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.209313e-11 -5.88344e-12 7.832685000000001e-11 ] [ 9.43273e-12 8.703017e-11 2.9299952e-10 ] [ 1.3362407e-10 2.8908506e-10 3.2293765e-10 ] [ 2.3221205e-10 1.0709636e-10 1.8781756e-10 ] [ 2.6279695e-10 3.3691087e-10 1.2912256e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.88e-05 -3.4e-06 -1.09e-05 ] [ -1.03e-05 2.86e-05 7.2e-06 ] [ -2.9e-06 -1.62e-05 2.82e-05 ] [ 1.3e-06 -1.34e-05 -1.5e-06 ] [ -6.9e-06 4.4e-06 -2.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012092047104e-14 -5.44740051072e-15 -1.746372516672e-14 ] [ -1.650241919424e-14 4.582225135488e-14 1.153567166976e-14 ] [ -4.646312200320001e-15 -2.595526125696e-14 4.518138070656001e-14 ] [ 2.08282960704e-15 -2.146916671872e-14 -2.4032649312e-15 ] [ -1.105501868352e-14 7.04957713152e-15 -3.68500622784e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.605513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.179843484259047e-18 } }