{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9161753000000004 0.06066190000000001 -1.6911153000000005 ] [ 0.3938446000000001 0.17257050000000002 -0.5445092000000001 ] [ 0.8316510000000003 0.4697221000000001 -0.8567671000000002 ] [ 0.08178130000000002 0.6012137000000001 2.0336229000000006 ] [ 0.7779861000000002 0.043982600000000004 0.5397387000000001 ] [ -0.3261511000000001 -1.6726874000000005 -1.3615297000000002 ] [ -1.3761141000000001 0.6797944000000001 -0.18374170000000004 ] [ -2.2991730000000006 -0.35525780000000007 2.0643014000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.070051267014427e-09 9.719107795330755e-11 -2.709465396737179e-09 ] [ 6.310086103483278e-10 2.764884205397665e-10 -8.723999100505116e-10 ] [ 1.332451788864941e-09 7.525777668930798e-10 -1.372692217090616e-09 ] [ 1.310280868786311e-10 9.632505342446652e-10 3.258223065903497e-09 ] [ 1.246471140727371e-09 7.046789344199809e-11 8.647567264809852e-10 ] [ -5.225516672682031e-10 -2.679940646186739e-09 -2.181411053864838e-09 ] [ -2.204777838573234e-09 1.089150694630764e-09 -2.943866560060475e-10 ] [ -3.683681227774599e-09 -5.691857415168423e-10 3.30737544136471e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.840616 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.659470095987042e-18 } }