{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] "source-value" [ 5.51626 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] "source-value" [ 0.0156708 5.55287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] "source-value" [ 0.0707378 -0.0779479 5.31818 ] } "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" [ [ -3.149877794533842e-09 2.271171877521523e-10 1.025474748319661e-10 ] [ -5.833332815138304e-11 -7.75816057036487e-10 9.734338086288078e-10 ] [ -1.932408293690219e-09 1.278382493572155e-09 -9.75465048148658e-10 ] [ 2.335325432683286e-09 2.173622232440481e-09 -3.338886730707279e-09 ] [ -1.357431965430482e-09 -1.465315970151009e-09 3.191595750039218e-09 ] [ 1.114612004835531e-09 -1.611533332265472e-09 -3.475417493190048e-10 ] [ -6.52852846613977e-10 -4.038814891011264e-10 -9.024826987179764e-10 ] [ 3.700966790901086e-09 5.774250950069684e-10 1.296799193392927e-09 ] ] "source-value" [ [ -1.9659991 0.1417554 0.0640051 ] [ -0.0364088 -0.4842263 0.6075696 ] [ -1.2061144 0.7979036 -0.6088374 ] [ 1.4575955 1.3566683 -2.0839692 ] [ -0.8472424 -0.9145783 1.9920374 ] [ 0.6956861 -1.00584 -0.2169185 ] [ -0.4074787 -0.252083 -0.5632854 ] [ 2.3099618 0.3604004 0.8093984 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.607065081261778e-18 "source-value" -41.238057 } }