{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8464982 5.9508841 4.338867 ] [ 0.3180072 -0.8728634 -0.4069756 ] [ -1.4406578 1.2701952 -1.2689958 ] [ 4.2743841 -5.9317367 -4.01355 ] [ -0.2538651 0.9288721 -2.428174 ] [ 1.6783016 -1.450807 1.9144696 ] [ -0.0874685 1.480869 1.4088252 ] [ 0.3577967 -1.3754132 0.4555336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.764946172763058e-09 9.534367456662118e-09 6.951631325433676e-09 ] [ 5.095037052837647e-10 -1.398481344153795e-09 -6.520467969281303e-10 ] [ -2.308188264749845e-09 2.035077070058957e-09 -2.033155419404137e-09 ] [ 6.848318329761119e-09 -9.503689939780268e-09 -6.4304160293907e-09 ] [ -4.067367314080734e-10 1.488217174594511e-09 -3.890363646086315e-09 ] [ 2.688935608324814e-09 -2.324449075843637e-09 3.067318459623327e-09 ] [ -1.40139986911029e-10 2.372613709814946e-09 2.257186816830377e-09 ] [ 5.732535124623077e-10 -2.203654891135168e-09 7.298452899219023e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.626435 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.547766507571979e-18 } }