{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.4 0 0 ] "si-unit" "m" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.386566 5.8038 0 ] "si-unit" "m" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.433064 -0.220286 5.20849 ] "si-unit" "m" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5818958000000003 -2.6134261000000003 6.390582100000001 ] [ -1.1401505000000003 -3.380023200000001 -7.944036900000002 ] [ 7.881381000000002 -12.354776900000003 12.894491000000004 ] [ 6.158633600000002 2.1300466000000005 6.046041100000002 ] [ 3.3454634000000008 -6.445715700000002 5.106387100000001 ] [ -1.6646746000000003 0.40116810000000014 -6.525679100000001 ] [ -1.9214267000000005 3.2693277000000007 -7.306223200000002 ] [ -15.241122100000004 18.993399600000004 -8.661562100000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.136653088101714e-09 -4.187170197608523e-09 1.023884123392297e-08 ] [ -1.826722475293431e-09 -5.415394148801605e-09 -1.272775019595251e-08 ] [ 1.262736437781733e-08 -1.97945347043799e-08 2.065925201731602e-08 ] [ 9.867218769993342e-09 3.41271086373453e-09 9.686825698815917e-09 ] [ 5.36002324522208e-09 -1.032717499886351e-08 8.181334028374713e-09 ] [ -2.667102725359592e-09 6.427421508307568e-10 -1.045529048886319e-08 ] [ -3.078464937320896e-09 5.238040406673838e-09 -1.170585999738656e-08 ] [ -2.441896950337821e-08 3.043078078863208e-08 -1.387735229622735e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.351947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.94030604295607e-18 } }