{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "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" [ [ 1.2328271648423e-09 -1.384161718865937e-09 4.632828121661685e-09 ] [ -3.81160509745043e-09 4.197332163043609e-09 -4.962468110725844e-09 ] [ -1.615193184320366e-09 -8.763127457938291e-10 -1.0760187743937e-09 ] [ 2.433214578990276e-09 -2.67899952763968e-10 8.18598018035737e-10 ] [ 4.964388479623535e-09 -4.243606067987893e-09 3.377924084508395e-09 ] [ -2.56699344290916e-09 3.255512823931751e-09 -2.35027982882651e-09 ] [ -6.148131361511006e-09 -6.447859994806124e-09 -5.810103497183973e-09 ] [ 5.511493022952511e-09 5.766995653460052e-09 5.369519986924209e-09 ] ] "source-value" [ [ 0.7694702 -0.8639258 2.8915839 ] [ -2.3790168 2.6197687 -3.097329 ] [ -1.0081243 -0.5469514 -0.6715981 ] [ 1.5186931 -0.16721 0.5109287 ] [ 3.0985276 -2.6486506 2.1083344 ] [ -1.6021913 2.0319313 -1.4669293 ] [ -3.8373618 -4.0244377 -3.6263814 ] [ 3.4400034 3.5994756 3.3513908 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.021890519001269e-17 "source-value" -63.78139 } }