{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 96.90179610000003 92.02622400000001 -43.36457140000001 ] [ 0.8715557000000003 -0.8274298000000002 0.8284940000000002 ] [ 102.17753700000003 77.80362470000001 -46.38625630000001 ] [ -11.571164700000002 11.506379500000001 -8.798645200000001 ] [ -27.990415400000007 38.686825400000004 56.68108260000002 ] [ -88.78931450000002 -94.79235730000002 34.02725540000001 ] [ -3.9426436000000007 -3.930588800000001 14.113724400000004 ] [ -67.65735060000002 -120.47267760000003 -7.101083500000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.552537922249487e-07 1.474422645933039e-07 -6.947770246809235e-08 ] [ 1.396386166264979e-09 -1.32568868091322e-09 1.327393717273076e-09 ] [ 1.63706460952327e-07 1.246551485078374e-07 -7.431897537029671e-08 ] [ -1.853904955776625e-08 1.84352522249524e-08 -1.409698363415414e-08 ] [ -4.484558916036029e-08 6.198312718885161e-08 9.08131053833537e-08 ] [ -1.422561638687585e-07 -1.518740986965803e-07 5.451767307187056e-08 ] [ -6.316811400066748e-09 -6.297497481338329e-09 2.261267926609451e-08 ] [ -1.083990253565889e-07 -1.930185074958959e-07 -1.137718996604864e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -24.237145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.883218707393962e-18 } }