{ "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" [ [ -0.7977931 0.2730607 0.5479673 ] [ -2.3741062 2.4495735 -4.1346259 ] [ -1.648144 0.3104357 -0.0553986 ] [ 1.4310329 0.5032055 0.4162592 ] [ 2.8151066 -3.5904494 2.7636212 ] [ 0.4873204 0.4095916 0.7171743 ] [ -0.6194647 -0.528701 -0.4142078 ] [ 0.7060481 0.1732834 0.1592104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.278205453055556e-09 4.374914695992826e-10 8.779403970229e-10 ] [ -3.803737448936329e-09 3.924649392631229e-09 -6.624400952734159e-09 ] [ -2.640617784511795e-09 4.973728208016825e-10 -8.875834174505089e-11 ] [ 2.292767455975624e-09 8.062240875579743e-10 6.669207584329114e-10 ] [ 4.510297979579778e-09 -5.752534086845388e-09 4.427809275387241e-09 ] [ 7.807733517189043e-10 6.562380855960653e-10 1.149039896498606e-09 ] [ -9.924918597508858e-10 -8.470723815935808e-10 -6.636340533130022e-10 ] [ 1.13121375898026e-09 2.776306122527347e-10 2.550831806682163e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -60.822973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.744914534814964e-18 } }