{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8374414 0.1034091 0.2790658 ] [ -0.5963522 0.9667076 -2.2886267 ] [ -1.3486562 0.4975272 -0.0623707 ] [ 1.9588943 0.4118965 0.3128929 ] [ 0.6149103 -2.3937943 1.7486282 ] [ -0.0520855 0.6183033 1.2180557 ] [ -0.4023259 -0.3819047 -1.2004541 ] [ 0.6630565 0.1778553 -0.0071911 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.341729032370021e-09 1.656796423979693e-10 4.471127004248486e-10 ] [ -9.554615526026458e-10 1.548836315869678e-09 -3.666784192478655e-09 ] [ -2.160785433136969e-09 7.971264480520857e-10 -9.992887736293056e-11 ] [ 3.138494650078382e-09 6.599309424893472e-10 5.013096891943123e-10 ] [ 9.851949065491143e-10 -3.835281262464302e-09 2.801611220511586e-09 ] [ -8.34501703826784e-11 9.906310918234887e-10 1.951540365372179e-09 ] [ -6.445971509223188e-10 -6.118787817136377e-10 -1.923339493363505e-09 ] [ 1.062333622569475e-09 2.849556035453703e-10 -1.152141229783488e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.329565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.820637968683396e-18 } }