{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.0015286 13.4917735 9.8470133 ] [ -28.1857487 -24.7517097 22.5953901 ] [ -11.8995395 -20.818296 -15.791469 ] [ 22.3868783 -4.0284653 11.811537 ] [ 0.3449679 3.688963 -9.8487701 ] [ 5.1403735 4.2798963 4.5525183 ] [ 25.7975585 24.1119412 -25.0465037 ] [ 1.4170386 4.025897 1.8802841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.403509859720273e-08 2.16162042529204e-08 1.577665462394723e-08 ] [ -4.515854797893587e-08 -3.965661093289114e-08 3.620180605433492e-08 ] [ -1.906516414226004e-08 -3.335458741089566e-08 -2.530072264833534e-08 ] [ 3.586773332046163e-08 -6.454312974539799e-09 1.892416859302646e-08 ] [ 5.526995088600486e-10 5.910370322290542e-09 -1.577946932785784e-08 ] [ 8.235786311732799e-09 6.857149847803053e-09 7.293938446117401e-09 ] [ 4.133224544294809e-08 3.863158879102191e-08 -4.012892299153453e-08 ] [ 2.270346134396072e-09 6.450198104290697e-09 3.012547250301719e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.042136 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929362892265022e-18 } }