{ "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" [ [ -3.530762121072991e-09 3.690801300677434e-10 5.228206727228352e-11 ] [ -3.479491828336742e-10 -6.756715267003968e-10 9.397933867748562e-10 ] [ -2.031909069460072e-09 1.349413712314026e-09 -1.032860301888563e-09 ] [ 2.116976316706124e-09 1.613349719900473e-09 -3.14211332619412e-09 ] [ -9.231866658826024e-10 -1.160474631041255e-09 3.279507181222514e-09 ] [ 1.260401105139254e-09 -1.754649040659729e-09 -4.929578629054061e-10 ] [ -7.139795697037249e-10 -5.578593141137587e-10 -1.106976671931447e-09 ] [ 4.170409187107685e-09 8.168111104505586e-10 1.503325687867544e-09 ] ] "source-value" [ [ -2.2037284 0.2303617 0.0326319 ] [ -0.2171728 -0.421721 0.5865729 ] [ -1.2682179 0.8422378 -0.6446607 ] [ 1.3213127 1.0069737 -1.9611529 ] [ -0.5762078 -0.7243113 2.0469074 ] [ 0.7866805 -1.0951658 -0.3076801 ] [ -0.445631 -0.3481884 -0.6909205 ] [ 2.6029647 0.5098134 0.9383021 ] ] } "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" -5.739601958032938e-18 "source-value" -35.823778 } }