{ "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" [ [ 1.6462948 -2.6695539 -2.9889337 ] [ -4.4554942 3.6999106 -6.0296393 ] [ -0.0783977 0.3796401 3.9573567 ] [ -9.8842251 1.9449196 2.2542384 ] [ 11.6782887 -0.5164782 1.4883415 ] [ 3.4199598 -4.7740367 -5.8067841 ] [ 2.6456017 3.9656801 10.7219706 ] [ -4.9720279 -2.0300817 -3.59655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.637655039504612e-09 -4.277096846545461e-09 -4.788799695261242e-09 ] [ -7.13848864135e-09 5.9279102623701e-09 -9.660547118316878e-09 ] [ -1.256069620644922e-10 6.082504925381741e-10 6.340384384906239e-09 ] [ -1.583627436994454e-08 3.116104712455688e-09 3.611688062189599e-09 ] [ 1.871068112609282e-08 -8.274892971928666e-10 2.384585955066403e-09 ] [ 5.479379635635843e-09 -7.648849987581183e-09 -9.30349372705317e-09 ] [ 4.238721191688735e-09 6.353719941791806e-09 1.717849062422495e-08 ] [ -7.96606685934532e-09 -3.25254943805392e-09 -5.762308325538241e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.981944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.400372041093484e-18 } }