{ "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" [ [ 6.053553400000002 -17.645067000000004 19.197335600000002 ] [ -19.426705400000003 2.0747976000000006 -98.04012220000003 ] [ 230.80402190000007 -210.79825690000007 212.12245380000005 ] [ 16.193607600000004 2.3006479000000004 7.220600300000002 ] [ 48.443425900000015 -41.11819520000001 59.462742300000016 ] [ -5.105068400000001 22.722079100000002 -16.151367800000003 ] [ -15.791819700000003 -6.2484711000000015 -7.599435400000002 ] [ -261.1710153000001 248.71246560000006 -176.21220660000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.698861810151258e-09 -2.827051405276448e-08 3.075752253337637e-08 ] [ -3.112501346748163e-08 3.324192234999279e-09 -1.570775929833447e-07 ] [ 3.697888109214043e-07 -3.377360416931094e-07 3.398576390251046e-07 ] [ 2.594501971688482e-08 3.686044308441169e-09 1.156867708411339e-08 ] [ 7.761492504789043e-08 -6.587861158169097e-08 9.526981630662344e-08 ] [ -8.179221305451766e-09 3.640478420991974e-08 -2.587734409629999e-08 ] [ -2.530128453168089e-08 -1.001115439464428e-08 -1.217563782947245e-08 ] [ -4.184420981917166e-07 3.984813009688488e-07 -2.823230800401006e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 66.546128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.066186513647731e-17 } }