{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8206548 2.4770081 -2.3985778 ] [ -4.0432276 -3.6544072 2.9998078 ] [ 0.175205 0.27434 -0.0820426 ] [ 0.2310682 0.098521 0.2466223 ] [ 0.3052815 -0.56907 0.527145 ] [ -0.6069277 0.121532 0.8142091 ] [ 2.8524321 2.956154 -4.7358686 ] [ -1.7344862 -1.7040779 2.6287048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.519187175907299e-09 3.968604467352229e-09 -3.842945274329898e-09 ] [ -6.477964733293294e-09 -5.85500577872319e-09 4.806221924053483e-09 ] [ 2.80709354847264e-10 4.39541134150272e-10 -1.314467356296461e-10 ] [ 3.702120678503386e-10 1.578480428578368e-10 3.951324832279238e-10 ] [ 4.891148820627552e-10 -9.11750649598656e-10 8.44579394771616e-10 ] [ -9.72405371455916e-10 1.947157290790656e-10 1.304506784462609e-09 ] [ 4.570100023039448e-09 4.736280826284403e-09 -7.587697950100827e-09 ] [ -2.778953238740233e-09 -2.73023377140196e-09 4.21164937354474e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -61.475441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.849451432356977e-18 } }