{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.0455973 -2.3954737 -1.1765402 ] [ 4.0369393 2.3475217 6.3938066 ] [ 0.7744529 1.1000807 -2.0354786 ] [ 2.497662 -0.633583 -3.9954044 ] [ -3.1938814 -2.0268927 -2.8971468 ] [ 0.3639974 1.6033335 4.6284222 ] [ 0.3738706 -2.386637 -2.7724156 ] [ 2.1925566 2.3916505 1.8547568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12882912736316e-08 -3.837971957881273e-09 -1.885025201871356e-09 ] [ 6.467889766048718e-09 3.761144384560672e-09 1.024400745243674e-08 ] [ 1.24081033029076e-09 1.762523578533299e-09 -3.261196225058714e-09 ] [ 4.00169566306057e-09 -1.015111869936326e-09 -6.401343520321452e-09 ] [ -5.117162108687974e-09 -3.247440096810188e-09 -4.641740869985534e-09 ] [ 5.83188124311986e-10 2.568823449045437e-09 7.415549840031701e-09 ] [ 5.990067345244685e-10 -3.823814003736249e-09 -4.441899457461205e-09 ] [ 3.512862924300737e-09 3.831846516224631e-09 2.971647982229822e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.976552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.603861389059548e-18 } }