{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5028226 0.5041696 -1.9430292 ] [ -0.8861621 -0.2983124 -0.5743238 ] [ -0.9362144 -0.2051362 -1.6428937 ] [ -0.8683003 2.4909923 2.402984 ] [ 0.8410749 -1.0633178 0.854864 ] [ 0.5303163 -1.3929545 -0.8765211 ] [ -0.8889092 0.1903186 -0.5106462 ] [ -0.2946277 -0.2257596 2.289566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.009963888767128e-09 8.077687526931264e-10 -3.113075983419712e-09 ] [ -1.419788210556371e-09 -4.779491569124615e-10 -9.201681727100891e-10 ] [ -1.499980836094329e-09 -3.286644264275508e-10 -2.632205898285805e-09 ] [ -1.39117045195519e-09 3.991009658533917e-09 3.850004816675856e-09 ] [ 1.347550552223886e-09 -1.703622933676285e-09 1.369643126047776e-09 ] [ 8.49660384489334e-10 -2.231759152125153e-09 -1.404341625627977e-09 ] [ -1.424189549987633e-09 3.049240139355924e-10 -8.181454098808908e-10 ] [ -4.720456166691617e-10 -3.617067560211864e-10 3.668289147200844e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.96964929230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.442537836130327e-18 } }