{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5025623000000001 0.6732845000000001 1.8729749000000004 ] [ -1.7041257000000005 -0.8014266000000002 0.6230007000000001 ] [ -0.20986790000000005 -0.33329330000000007 -0.7867132000000002 ] [ 1.1857486000000002 0.26931430000000006 0.038995800000000004 ] [ -2.1404015000000003 -0.4911889000000001 -0.20500260000000006 ] [ 2.1023818000000003 -0.6656906000000001 0.30334390000000006 ] [ -0.6056173000000001 0.5831962000000002 -1.6786474000000005 ] [ 1.8744444000000005 0.7658043000000002 -0.16795220000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.05193567555476e-10 1.078720685047018e-09 3.000836596125219e-09 ] [ -2.730310355444436e-09 -1.284026961807234e-09 9.981571562820347e-10 ] [ -3.362454428363924e-10 -5.339947331292807e-10 -1.260453496314755e-09 ] [ 1.899778685066331e-09 4.314890751071175e-10 6.247815906939265e-11 ] [ -3.429301242425252e-09 -7.869713719764693e-10 -3.284503729232142e-10 ] [ 3.368386967955422e-09 -1.066553916006325e-09 4.860105046422932e-10 ] [ -9.7030587921202e-10 9.343833169794012e-10 -2.689489618846707e-09 ] [ 3.003190994669484e-09 1.22695374556811e-09 -2.690890882519258e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.094298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.94316170205882e-18 } }