{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1388515 4.6649758 1.1033563 ] [ 0.4340442 -1.3610968 -0.3494094 ] [ -2.3540097 2.1525946 -2.2057433 ] [ 1.6157709 -3.8389054 -1.0284129 ] [ -0.4123278 1.4295964 -2.4867489 ] [ 1.6343745 -1.872507 2.3837326 ] [ 0.1572157 1.8180515 1.5278071 ] [ 1.0637837 -2.9927092 1.0554184 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.426817896895851e-09 7.474115224935455e-09 1.767771682836694e-09 ] [ 6.954154753632226e-10 -2.180717489572171e-09 -5.598155763799594e-10 ] [ -3.77153933754935e-09 3.448836770594576e-09 -3.533990375862052e-09 ] [ 2.58875038187715e-09 -6.150604532016422e-09 -1.647699118484179e-09 ] [ -6.606219667086252e-10 2.290465948130517e-09 -3.984210982205202e-09 ] [ 2.618556635105433e-09 -3.000086962401437e-09 3.819160673424068e-09 ] [ 2.518873210379538e-10 2.91283963270865e-09 2.447816836879301e-09 ] [ 1.704369387770066e-09 -4.794848752596832e-09 1.690966699573665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.815169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.578005028056114e-18 } }