{ "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" [ [ -4.1042391 3.4477975 4.5682833 ] [ -10.0624047 10.8549266 -18.5608792 ] [ -8.339224 0.432873 -2.6999096 ] [ 11.6060144 2.3478652 0.3241477 ] [ 9.1274755 -18.3313878 13.619416 ] [ 0.9585525 3.1967026 4.695959 ] [ -3.7031903 -3.9605181 -4.4308009 ] [ 4.5170156 2.011741 2.4837837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.575715986369189e-09 5.523980593263615e-09 7.319196760752412e-09 ] [ -1.612174969219178e-08 1.739150976230507e-08 -2.973780696073661e-08 ] [ -1.336090983849202e-08 6.935390060894819e-10 -4.325732075032286e-09 ] [ 1.859488508554753e-08 3.761694763221737e-09 5.193418709048418e-10 ] [ 1.462382797350746e-08 -2.937012120195267e-08 2.182071008392574e-08 ] [ 1.535770417962285e-09 5.121682211567049e-09 7.523755784022006e-09 ] [ -5.93316496991545e-09 -6.345449558354074e-09 -7.098925671886171e-09 ] [ 7.237056849733489e-09 3.223164423859793e-09 3.979460208050065e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.187516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.317226267570114e-18 } }