{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46402e-10 0.0 0.0 ] "source-value" [ 5.46402 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] "source-value" [ 0.0122514 5.46447 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] "source-value" [ -0.0384841 0.0769758 5.42124 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.828462418934898e-09 3.108475788258086e-10 -5.030573434522809e-10 ] [ 1.538910030615512e-09 2.786032936792224e-09 6.409643756523168e-10 ] [ 1.978485291127807e-09 -1.175130862115347e-09 2.488870830225965e-10 ] [ -5.69171321927255e-10 2.932768282608192e-11 -3.110047843958416e-09 ] [ -1.306531775493638e-10 -6.991389281005785e-10 -9.934723918428155e-10 ] [ 2.065459288770273e-09 -7.157563835761921e-12 -1.69851437948507e-09 ] [ -1.072915198061549e-09 -1.654544084086172e-09 3.753522189504877e-09 ] [ -9.816523338228634e-10 4.097629192584211e-10 1.661718470776452e-09 ] ] "source-value" [ [ -1.7653874 0.1940158 -0.3139837 ] [ 0.9605121 1.738905 0.4000585 ] [ 1.2348734 -0.733459 0.1553431 ] [ -0.3552488 0.0183049 -1.9411392 ] [ -0.0815473 -0.4363682 -0.6200767 ] [ 1.2891583 -0.0044674 -1.0601293 ] [ -0.669661 -1.0326852 2.3427643 ] [ -0.6126992 0.2557539 1.0371631 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.502764725495159e-18 "source-value" -21.862538 } }