{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] "source-value" [ 5.4 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] "source-value" [ 0.386566 5.8038 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] "source-value" [ -0.433064 -0.220286 5.20849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -8.107395019283751e-10 -6.017054888898426e-09 8.623067260577562e-09 ] [ -1.204976688860596e-09 -4.540282394602725e-09 -1.275732701724312e-08 ] [ 1.000738407014039e-08 -1.541769979970705e-08 1.931255095023867e-08 ] [ 5.619950126250298e-09 2.209347566731079e-09 5.773395067318852e-09 ] [ 5.997290598321899e-09 -6.079468480250001e-09 7.481691215726892e-09 ] [ -5.445940927818452e-10 2.071759047243258e-09 -5.913453662502961e-09 ] [ -3.259133903312422e-09 6.984275616809433e-10 -5.899588426026557e-09 ] [ -1.580518076804702e-08 2.707497138780292e-08 -1.662033538808933e-08 ] ] "source-value" [ [ -0.5060238000000001 -3.755550300000001 5.3820953000000005 ] [ -0.7520873000000002 -2.8338214000000006 -7.962497300000002 ] [ 6.2461179000000016 -9.622971400000003 12.053946300000003 ] [ 3.5076970000000007 1.3789663000000003 3.603469800000001 ] [ 3.7432144000000007 -3.794505800000001 4.6697044000000005 ] [ -0.33990890000000007 1.2930903000000002 -3.690887500000001 ] [ -2.0341914000000005 0.4359242000000001 -3.682233500000001 ] [ -9.864818000000001 16.898868100000005 -10.373597500000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.484797916869508e-18 "source-value" -21.750398 } }