{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4696812 0.1105803 -0.2679428 ] [ -4.5579532 -2.3157485 -0.2495309 ] [ -11.8030297 46.4931631 -16.0756885 ] [ 18.9611045 -48.2157298 -12.066603 ] [ -2.1304404 3.927735 28.6597652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.525122440690808e-10 1.771691728407102e-10 -4.292916934085351e-10 ] [ -7.302646115905528e-09 -3.710238136920549e-09 -3.997925774409906e-10 ] [ -1.891053839574803e-08 7.4490259559571e-08 -2.57560924901625e-08 ] [ 3.037903858473225e-08 -7.725011567681748e-08 -1.93328293783543e-08 ] [ -3.413341829009613e-09 6.29292524154399e-09 4.591800613936632e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.590292 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.856969502363713e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.8070949 0.483101 2.4694899 ] [ -0.2328754 1.7878533 0.6706825 ] [ 1.8732006 2.5128153 0.1168513 ] [ 3.8025536 2.167286 1.311031 ] [ 3.9863251 1.1432912 3.3568754 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.070949e-11 4.831010000000001e-11 2.4694899e-10 ] [ -2.328754e-11 1.7878533e-10 6.706824999999999e-11 ] [ 1.8732006e-10 2.5128153e-10 1.168513e-11 ] [ 3.8025536e-10 2.167286e-10 1.311031e-10 ] [ 3.9863251e-10 1.1432912e-10 3.3568754e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -3.7e-06 4.8e-06 ] [ -1.5e-06 2.2e-06 -3.8e-06 ] [ 4.6e-06 -1.5e-06 4.7e-06 ] [ 3.7e-06 4.2e-06 -7e-06 ] [ -3.8e-06 -1.2e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 -5.9280535458e-15 7.690447843199998e-15 ] [ -2.403264951e-15 3.5247885948e-15 -6.088271209199999e-15 ] [ 7.370012516399999e-15 -2.403264951e-15 7.530230179799999e-15 ] [ 5.9280535458e-15 6.729141862799999e-15 -1.1215236438e-14 ] [ -6.088271209199999e-15 -1.9226119608e-15 2.0828296242e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.663724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.708516942422502e-18 } }