{ "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" [ [ 12.654349700000003 11.408379000000002 -14.428641000000004 ] [ 1.9327415000000003 0.07611690000000002 -0.8328791000000002 ] [ 13.985840600000003 6.572562300000002 -12.334751000000004 ] [ -3.682362900000001 0.41871110000000006 -9.904524300000002 ] [ -16.637423700000003 5.221752800000001 15.416938000000004 ] [ -0.32382510000000003 -10.839210600000001 3.4707470000000007 ] [ -9.669200200000002 -1.2901480000000003 12.917408900000003 ] [ 1.7398801000000004 -11.568163600000002 5.6957016000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.02745032407675e-08 1.827823811502568e-08 -2.311723128011634e-08 ] [ 3.096593245349924e-09 1.219527176277715e-10 -1.334419421972946e-09 ] [ 2.240778683155545e-08 1.053040565581148e-08 -1.976244967558943e-08 ] [ -5.89979574768129e-09 6.70849135289451e-10 -1.586879727360549e-08 ] [ -2.665609128248384e-08 8.36617025575694e-09 2.470065762792312e-08 ] [ -5.188250044482222e-10 -1.736632981124754e-08 5.560749700111739e-09 ] [ -1.549176650227469e-08 -2.067044962971879e-09 2.069597054089385e-08 ] [ 2.787595219215167e-09 -1.853424126550957e-08 9.125519942573154e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.125905 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.942784149704182e-18 } }