{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3157271 -0.640097 0.1353822 ] [ 0.0822619 -2.1896895 3.2658807 ] [ -2.1113125 3.8558483 -5.1468511 ] [ -0.2143931 1.5043733 1.7403582 ] [ 0.9343972 -0.1719224 -1.5445031 ] [ -1.5505442 -2.6686945 1.4242063 ] [ 1.5438636 0.3101819 0.1255268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.108027198972983e-09 -1.025548448444218e-09 2.169061957124698e-10 ] [ 1.317980929625875e-10 -3.508269323711242e-09 5.232517703861939e-09 ] [ -3.3826955267028e-09 6.177749999611425e-09 -8.246164503158764e-09 ] [ -3.434956124808365e-10 2.410271730215745e-09 2.788361219857571e-09 ] [ 1.497069348380982e-09 -2.754500498718259e-10 -2.474566757573125e-09 ] [ -2.48424566675704e-09 -4.275719935957546e-09 2.281830037056071e-09 ] [ 2.473542165624123e-09 4.969661883753236e-10 2.011161042438374e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.581573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.419055142548852e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6581212 1.8835305 2.0469101 ] [ 2.7124154 2.710926 4.2760982 ] [ 2.2575734 4.2056351 2.3694995 ] [ 4.8629219 2.7286192 2.1833973 ] [ 5.0734662 2.8297694 4.536982 ] [ 4.4099302 5.0102377 1.7557696 ] [ 3.9133277 4.8543042 4.0764993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6581212e-10 1.8835305e-10 2.0469101e-10 ] [ 2.7124154e-10 2.710926e-10 4.2760982e-10 ] [ 2.2575734e-10 4.205635100000001e-10 2.3694995e-10 ] [ 4.8629219e-10 2.7286192e-10 2.1833973e-10 ] [ 5.0734662e-10 2.8297694e-10 4.536982e-10 ] [ 4.4099302e-10 5.0102377e-10 1.7557696e-10 ] [ 3.9133277e-10 4.8543042e-10 4.0764993e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.45e-05 2.2e-06 1.93e-05 ] [ -4.32e-05 -3.33e-05 -8.08e-05 ] [ -3.77e-05 5.2e-06 4.1e-05 ] [ -4.67e-05 -4.98e-05 -5.5e-06 ] [ 6.39e-05 1.6e-05 5.24e-05 ] [ 3.7e-05 4.05e-05 -4.6e-05 ] [ 2.1e-06 1.93e-05 1.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.92533272096e-14 3.52478856576e-15 3.092200878144e-14 ] [ -6.921403001856e-14 -5.335248147264001e-14 -1.2945587096064e-13 ] [ -6.040205860416e-14 8.33131842816e-15 6.56892414528e-14 ] [ -7.482164819136e-14 -7.978839571583999e-14 -8.8119714144e-15 ] [ 1.0237908606912e-13 2.56348259328e-14 8.395405492992e-14 ] [ 5.92805349696e-14 6.488815314240001e-14 -7.37001245568e-14 ] [ 3.36457090368e-15 3.092200878144e-14 3.156287942976e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.051519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.975001778212699e-18 } }