{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4621261 -13.3595146 6.6692105 ] [ -2.4025519 -3.2873999 -8.472828 ] [ -17.5801359 22.1540221 9.7754911 ] [ -17.2450913 9.1870031 4.5533043 ] [ 7.5723654 -5.6292981 -4.1820298 ] [ 13.9163223 -9.0167665 -28.2801178 ] [ 10.2769653 -0.048046 19.9369697 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.751290737281482e-09 -2.140430195735626e-08 1.068525314229388e-08 ] [ -3.84931248443862e-09 -5.266995263000259e-09 -1.357496693365962e-08 ] [ -2.816648272946676e-08 3.549465626530653e-08 1.566206329725848e-08 ] [ -2.762968210442148e-08 1.471920158203713e-08 7.29519769684811e-09 ] [ 1.213226680803484e-08 -9.01912980733386e-09 -6.700350373048899e-09 ] [ 2.229640623657768e-08 -1.444645248151264e-08 -4.530974357262993e-08 ] [ 1.646551353643286e-08 -7.69781779229568e-11 3.194254674293799e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.255097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.123700651983622e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9968247 2.054683 3.806189 ] [ 1.8926666 3.0813873 1.4503012 ] [ 2.5744341 5.2249248 3.0539988 ] [ 0.756607 3.4800404 3.8515681 ] [ 4.6643344 0.9979401 2.108624 ] [ 4.4732015 3.5738829 1.8566577 ] [ 4.482025 4.1009315 4.4829012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9968247e-10 2.054683e-10 3.806189e-10 ] [ 1.8926666e-10 3.0813873e-10 1.4503012e-10 ] [ 2.5744341e-10 5.2249248e-10 3.0539988e-10 ] [ 7.56607e-11 3.4800404e-10 3.8515681e-10 ] [ 4.6643344e-10 9.979401e-11 2.108624e-10 ] [ 4.4732015e-10 3.5738829e-10 1.8566577e-10 ] [ 4.482025e-10 4.1009315e-10 4.4829012e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.89e-05 -3.9e-06 -2.1e-05 ] [ -1.71e-05 -2.72e-05 3.6e-06 ] [ -1.24e-05 1e-05 1.78e-05 ] [ 4.1e-06 1.48e-05 -7.6e-06 ] [ 7.2e-06 2.77e-05 -1.56e-05 ] [ 1.87e-05 -5.18e-05 -3.71e-05 ] [ 1.84e-05 3.04e-05 5.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.028113813312e-14 -6.24848882112e-15 -3.36457090368e-14 ] [ -2.739722021568e-14 -4.357920408576e-14 5.76783583488e-15 ] [ -1.986699009792e-14 1.6021766208e-14 2.851874385024e-14 ] [ 6.568924145279999e-15 2.371221398784e-14 -1.217654231808e-14 ] [ 1.153567166976e-14 4.438029239616e-14 -2.499395528448e-14 ] [ 2.996070280896e-14 -8.299274895744e-14 -5.944075263168e-14 ] [ 2.948004982272e-14 4.870616927232e-14 9.581016192383999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.353057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.901789857040979e-18 } }