{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0684637 0.2345904 0.0105103 ] [ -0.213993 -0.5265367 0.6542427 ] [ -1.0167133 0.8558771 -0.6347403 ] [ 1.2108855 0.7269631 -1.7468691 ] [ -0.2878383 -0.4794163 1.8297132 ] [ 0.6231334 -0.992484 -0.2757209 ] [ -0.5792181 -0.3816637 -0.7319566 ] [ 2.3322075 0.5626702 0.8948207 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.314044208417186e-09 3.758552574407135e-10 1.68393570763302e-11 ] [ -3.428545844395619e-10 -8.436047976834677e-10 1.048212366905072e-09 ] [ -1.628954292737032e-09 1.371266291195681e-09 -1.01696607731815e-09 ] [ 1.940052454549407e-09 1.164723292600205e-09 -2.798792854676609e-09 ] [ -4.611677986302821e-10 -7.681095938187341e-10 2.931523735961368e-09 ] [ 9.983697733449754e-10 -1.590134674418856e-09 -4.417535834854505e-10 ] [ -9.280097058098753e-10 -6.114926621859857e-10 -1.172723761622084e-09 ] [ 3.736608362139554e-09 9.014970470881066e-10 1.433660817159524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.7800124248184e-18 } }