{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40836e-10 0.0 0.0 ] "source-value" [ 5.40836 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] "source-value" [ 0.0676972 5.56169 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] "source-value" [ 0.0290382 0.0456166 5.46301 ] } "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" [ [ 4.684088320685223e-09 -1.108844761806e-08 1.544648867053555e-09 ] [ 2.533294381390887e-09 -9.98619496389499e-09 3.785860041766119e-10 ] [ 5.535260512033768e-09 2.842818081674928e-09 3.183155964253829e-09 ] [ -5.509481810640422e-09 1.09151134166385e-09 1.029956901503413e-08 ] [ -2.584436820432795e-09 1.225670241877187e-08 -2.014175858185734e-09 ] [ -3.44336562945562e-09 -6.805223247028295e-09 -6.976957194440943e-09 ] [ -6.615716354361113e-09 6.386504480894926e-09 1.999192783080998e-10 ] [ 5.400357560997732e-09 5.302329505977719e-09 -6.614745915981893e-09 ] ] "source-value" [ [ 2.923578 -6.9208647 0.964094 ] [ 1.581158 -6.2328927 0.2362948 ] [ 3.4548379 1.7743475 1.9867697 ] [ -3.4387481 0.6812678 6.4284854 ] [ -1.6130786 7.650032 -1.2571497 ] [ -2.1491798 -4.2474863 -4.3546742 ] [ -4.1292054 3.9861426 0.1247798 ] [ 3.3706381 3.3094538 -4.1285997 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.537575717756989e-18 "source-value" -15.838302 } }