{ "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" [ [ -0.4048042000000001 0.3934457000000001 1.7515657000000004 ] [ -1.4072091000000002 -0.6523185000000001 0.24044390000000004 ] [ -0.07809490000000001 -0.32492100000000007 -0.5592886000000001 ] [ 1.0332973000000003 0.25541210000000003 -0.11993680000000002 ] [ -1.5714579000000004 -0.4661315000000001 0.05502110000000002 ] [ 1.3551762000000003 -0.3687193000000001 0.19919350000000005 ] [ -0.4506191000000001 0.4178325000000001 -1.1369027000000003 ] [ 1.5237117000000004 0.7454000000000001 -0.4300961000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.485678252416476e-10 6.303695020942907e-10 2.806317614335187e-09 ] [ -2.25459752059701e-09 -1.045129450015325e-09 3.852335951939732e-10 ] [ -1.251218229837139e-10 -5.205808298069569e-10 -8.960791191999631e-10 ] [ 1.655524776395764e-09 4.092152952894318e-10 -1.921599369335655e-10 ] [ -2.517753107951465e-09 -7.468249915184353e-10 8.815352007069891e-11 ] [ 2.171231624704586e-09 -5.907534420977416e-10 3.191431687153249e-10 ] [ -7.219713869059375e-10 6.694414629104162e-10 -1.821518926064397e-09 ] [ 2.441255262579424e-09 1.19426245314432e-09 -6.89089916117259e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.127398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.545199975473668e-18 } }