{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6707876 -1.5862819 -3.7126936 ] [ -0.0882476 0.7747697 5.7314553 ] [ 0.3794097 -3.9692368 -5.1500578 ] [ -0.5218573 -0.240096 8.2782386 ] [ 1.5599642 -0.7231833 -6.0939446 ] [ 2.2468963 0.4370253 3.8735113 ] [ -0.1370552 2.1849542 -3.096124 ] [ -0.7683226 3.1220488 0.1696149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.279073487096938e-09 -2.541503795117124e-09 -5.948390935121342e-09 ] [ -1.413882427265784e-10 1.24131791007119e-09 9.18280376047546e-09 ] [ 6.078813560529499e-10 -6.359418455772931e-09 -8.251302270909445e-09 ] [ -8.36107572342328e-10 -3.84676201116864e-10 1.326320045559687e-08 ] [ 2.499338191116503e-09 -1.158667385359012e-09 -9.763575647010475e-09 ] [ 3.599924750881054e-09 7.001917241268401e-10 6.206049296394964e-09 ] [ -2.195866390081968e-10 3.500682565600163e-09 -4.960537528766616e-09 ] [ -1.230988517094128e-09 5.002073637567739e-09 2.717530295582466e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.408011 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.231029817461497e-18 } }