{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2463856 -0.003793 0.0168491 ] [ -0.0167904 -0.1018114 0.1219642 ] [ -0.1723926 -0.0079155 -0.1892267 ] [ 0.0635046 0.4582363 -0.1621461 ] [ -0.0565979 -0.1844028 0.0211053 ] [ -0.035746 0.037256 0.1762852 ] [ 0.23009 -0.3084333 -0.0263874 ] [ 0.2343179 0.1108637 0.0415565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.947532480217805e-10 -6.0770559226944e-12 2.699523410152128e-11 ] [ -2.690118633388032e-11 -1.631198448109171e-10 1.954081898145754e-10 ] [ -2.762033933189261e-10 -1.26820290419424e-11 -3.031745947711354e-10 ] [ 1.017455854332557e-10 7.341754866618951e-10 -2.597866905738989e-10 ] [ -9.067983216637631e-11 -2.954458549700582e-10 3.381441823497024e-11 ] [ -5.72714054871168e-11 5.969069218452479e-11 2.824400260330522e-10 ] [ 3.68644818679872e-10 -4.941646223361926e-10 -4.227727536369792e-11 ] [ 3.754186612149523e-10 1.77623228235385e-10 6.65808527422752e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 28.391328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.548792195506443e-18 } }