{ "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" [ [ -0.05163400000000001 2.9713972000000006 0.42899540000000014 ] [ 4.027405700000001 -4.913404000000001 -5.727507900000001 ] [ -3.7432383000000007 4.532795300000001 6.421643000000002 ] [ 0.5023364000000001 -3.274792400000001 0.12547910000000004 ] [ -0.8105636000000003 1.3435452000000003 2.9984819000000003 ] [ -0.18860060000000006 -1.0480304000000003 1.3724497000000002 ] [ 0.20708340000000006 1.6201180000000004 -2.0531266000000006 ] [ 0.057210900000000016 -1.2316290000000003 -3.566414700000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.272678763838722e-11 4.760703124950583e-09 6.873264003107446e-10 ] [ 6.45261525501666e-09 -7.872141017345204e-09 -9.176479252827305e-09 ] [ -5.997328890343138e-09 7.262338656532124e-09 1.028860628172398e-08 ] [ 8.048316358568374e-10 -5.246795821253523e-09 2.010396804190254e-10 ] [ -1.298666049591483e-09 2.152596708428061e-09 4.804097598071964e-09 ] [ -3.021714719888526e-10 -1.679129804767673e-09 2.198906822563974e-09 ] [ 3.317841820357748e-10 2.595715182537255e-09 -3.289471438062594e-09 ] [ 9.166196643492675e-11 -1.973287189299284e-09 -5.714026252417448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.329434 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.096916724809663e-18 } }