{ "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" [ [ -1.9988503 0.6175711 1.1847893 ] [ -1.993622 2.9195035 -5.4061674 ] [ -3.0589245 0.4944271 -0.4201072 ] [ 5.1995566 1.3136237 0.0711029 ] [ 1.5487078 -6.082927 4.3299238 ] [ 0.0937355 1.4406065 2.1130147 ] [ -1.250346 -1.1387182 -2.1389618 ] [ 1.4597429 0.4359134 0.2664056 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.20251124552389e-09 9.894579862536772e-10 1.898241732673216e-09 ] [ -3.194134585428348e-09 4.677560290581218e-09 -8.661635087772531e-09 ] [ -4.900937359070132e-09 7.921595468363813e-10 -6.730859396151647e-10 ] [ 8.330608091680485e-09 2.104657198008626e-09 1.139194049896386e-10 ] [ 2.481303450053545e-09 -9.745923505727717e-09 6.93730273936049e-09 ] [ 1.50180827876307e-10 2.308106073088521e-09 3.385422779638519e-09 ] [ -2.003275145615364e-09 -1.824427692750539e-09 -3.426994616978581e-09 ] [ 2.338765966027398e-09 6.984102639274955e-10 4.268288274867504e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.560743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.697459152227906e-18 } }