{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.076136500000002 17.615343200000005 12.753155900000003 ] [ 188.25723700000003 -139.30653060000003 -129.35329020000003 ] [ -185.98769000000001 126.34740780000003 135.03978260000002 ] [ 8.454789900000002 -16.529676100000003 -11.179806700000002 ] [ -21.724438900000003 25.653291000000007 24.981475100000008 ] [ -0.14169980000000001 -4.556490500000001 0.6700135000000002 ] [ 3.207964800000001 7.0383327000000016 -2.4420930000000003 ] [ 16.009973600000002 -16.261677400000004 -30.469237200000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.293939719329454e-08 2.822289127493079e-08 2.043280839273924e-08 ] [ 3.016213463028003e-07 -2.23193668290926e-07 -2.072468190894612e-07 ] [ -2.979851311296355e-07 2.024308645436293e-07 2.163575843421598e-07 ] [ 1.35460668231592e-08 -2.648346081500825e-08 -1.791202506737665e-08 ] [ -3.480638839234066e-08 4.11011034254025e-08 4.002473568807282e-08 ] [ -2.270281086024732e-10 -7.300302612142977e-09 1.073479974164559e-09 ] [ 5.139726245254484e-09 1.127665219425813e-08 -3.912664342654963e-09 ] [ 2.565080561287686e-08 -2.605407955992587e-08 -4.881709989764359e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.600492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.499474376130393e-18 } }