{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] "source-value" [ 5.51626 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] "source-value" [ 0.0156708 5.55287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] "source-value" [ 0.0707378 -0.0779479 5.31818 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.314044181113466e-09 3.758552543441203e-10 1.683935693759424e-11 ] [ -3.428545816148544e-10 -8.436047907331833e-10 1.048212358269068e-09 ] [ -1.628954279316417e-09 1.371266279898104e-09 -1.016966068939578e-09 ] [ 1.940052438565719e-09 1.164723283004292e-09 -2.798792831617938e-09 ] [ -4.611677948308166e-10 -7.681095874904391e-10 2.931523711809155e-09 ] [ 9.983697651196147e-10 -1.590134661318067e-09 -4.417535798459347e-10 ] [ -9.280096981641964e-10 -6.11492657148025e-10 -1.172723751960257e-09 ] [ 3.736608331354416e-09 9.014970396608602e-10 1.433660805347891e-09 ] ] "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 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.780012377198081e-18 "source-value" -36.076 } }