{ "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" [ [ -1.9004324 0.1084866 0.0069036 ] [ -0.1729746 -0.4254407 0.4890061 ] [ -1.0976549 0.8739642 -0.5722527 ] [ 1.2752441 0.9580275 -1.6939063 ] [ -0.538803 -0.7742549 1.8242495 ] [ 0.6485354 -0.9412265 -0.2997018 ] [ -0.4269566 -0.2938974 -0.6074098 ] [ 2.213042 0.4943412 0.8531115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.044828360690834e-09 1.738146941900813e-10 1.106078651935488e-11 ] [ -2.771358601122317e-10 -6.816311430767866e-10 7.834741408485869e-10 ] [ -1.758637018486562e-09 1.400245008656176e-09 -9.168498971296761e-10 ] [ 2.043166282833138e-09 1.534929262583472e-09 -2.713937071685832e-09 ] [ -8.632575698169024e-10 -1.240493099319842e-09 2.92276989940609e-09 ] [ 1.039068255641176e-09 -1.508011093177411e-09 -4.801752171716775e-10 ] [ -6.840598826162574e-10 -4.708755431939059e-10 -9.73177780804804e-10 ] [ 3.545684153248474e-09 7.92021913338217e-10 1.366835300235619e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.923646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.755602575509544e-18 } }