{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 22.1227403 16.9050371 -5.6417342 ] [ -0.9662113 -2.0203915 4.7823294 ] [ 20.7541721 20.2527665 -24.5709775 ] [ -38.1201289 35.3955481 -23.5760225 ] [ -0.1649576 0.7927859 -1.2705346 ] [ -19.0115792 -17.2667228 18.0020578 ] [ 34.844986 -31.8138152 22.8173953 ] [ -19.4590214 -22.2452081 9.4574863 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.544453729668998e-08 2.708485521537663e-08 -9.039054636007792e-09 ] [ -1.548041155612775e-09 -3.237024026163043e-09 7.662136357644493e-09 ] [ 3.325184932267964e-08 3.244850899282144e-08 -3.936704570070283e-08 ] [ -6.107517930546242e-08 5.670991964622186e-08 -3.777295206095478e-08 ] [ -2.642912101432781e-10 1.270183034279887e-09 -2.03562083203748e-09 ] [ -3.045990771872757e-08 -2.766433958799431e-08 2.884247613345028e-08 ] [ 5.582782192130331e-08 -5.097135093189168e-08 3.655749729721181e-08 ] [ -3.117678915072689e-08 -3.564075234265078e-08 1.515256344139629e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.109449 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.299276959536994e-18 } }