{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1693331 -1.101661 -0.5864604 ] [ 0.0175052 0.4407588 0.7450659 ] [ -1.6687582 -1.7114204 -2.1029682 ] [ 0.1076235 3.3936846 -0.7993483 ] [ -0.9265384 -1.2951633 -0.3949758 ] [ 0.3865157 0.7142892 1.8952195 ] [ 1.756517 -2.7049362 -0.1061287 ] [ 1.4964684 2.2644482 1.349596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.873478170182785e-09 -1.765055512789074e-09 -9.396131496462936e-10 ] [ 2.804642241349679e-11 7.061734505898792e-10 1.19372717577018e-09 ] [ -2.673645395835899e-09 -2.741997775830933e-09 -3.369326512085038e-09 ] [ 1.72431856969299e-10 5.437282169285636e-09 -1.280697168687622e-09 ] [ -1.484478174983746e-09 -2.075080376474332e-09 -6.328209977554571e-10 ] [ 6.192664232141538e-10 1.144417466158553e-09 3.036476399201163e-09 ] [ 2.814250494623778e-09 -4.33378557610075e-09 -1.700369233367958e-10 ] [ 2.397606703999365e-09 3.628045994943358e-09 2.162291176539864e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.619734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.706910552409535e-18 } }