{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4061756 0.2401192 1.0541704 ] [ -0.4847503 0.7569391 -0.966873 ] [ -1.1204824 -1.0930988 -2.7978538 ] [ -0.7001241 4.6644222 -3.2758414 ] [ -1.1633669 -2.3722453 -0.4938647 ] [ 0.4718105 0.9150556 1.2114046 ] [ 0.3104951 -4.6556196 2.1385483 ] [ 1.2802426 1.5444275 3.1303096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.25294168962093e-09 3.847133716147728e-10 1.688967183134433e-09 ] [ -7.766556039844902e-10 1.212750139380989e-09 -1.549101328645482e-09 ] [ -1.795210720088242e-09 -1.751337356013439e-09 -4.482655983708109e-09 ] [ -1.121722473920279e-09 7.473228259950875e-09 -5.248476547769847e-09 ] [ -1.863919263949014e-09 -3.800755989776319e-09 -7.912584826974197e-10 ] [ 7.55923758775857e-10 1.46608070113085e-09 1.940884144440116e-09 ] [ 4.974679941914934e-10 -7.459124939912425e-09 3.426332116940422e-09 ] [ 2.051174779571408e-09 2.474445653407035e-09 5.015308898305886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.775144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.731809979478529e-18 } }