{ "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" [ [ 15.9783228 10.40384 -5.5458476 ] [ -3.2173989 1.7632609 8.9928097 ] [ 24.7063905 11.4171085 -28.3730056 ] [ -25.8052197 21.0183823 -16.7670106 ] [ -0.4955648 0.4620089 -1.2711263 ] [ -13.7745503 -12.9448109 9.5747782 ] [ 14.9718544 -16.9175897 22.461702 ] [ -12.363834 -15.2022 10.9277003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56000952297556e-08 1.666878921454387e-08 -8.88542736723979e-09 ] [ -5.154841297367637e-09 2.825055390350767e-09 1.440806945664346e-08 ] [ 3.958400124345522e-08 1.829222431583696e-08 -4.545856623414747e-08 ] [ -4.134451969794758e-08 3.367516072809653e-08 -2.686371238402578e-08 ] [ -7.939823366514279e-10 7.402198581815252e-10 -2.036568839944007e-09 ] [ -2.206926245269363e-08 -2.073987338465701e-08 1.534048578138551e-08 ] [ 2.398755508970161e-08 -2.710496669762689e-08 3.59876138077766e-08 ] [ -1.980904577825215e-08 -2.435660942472576e-08 1.750810593976915e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.883764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903988884790469e-18 } }