{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9873665 0.9158902 3.8842743 ] [ 0.0437916 -10.2220204 -1.9004609 ] [ -10.882756 2.3466609 -4.7282868 ] [ -3.1379607 -1.4128706 -3.8129061 ] [ 0.7589041 1.039238 3.6594517 ] [ 4.2552436 1.1753347 -5.8041011 ] [ 5.9754109 6.1577672 8.702029 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.786288764061123e-09 1.467417865659836e-09 6.223293472234285e-09 ] [ 7.016187770742528e-11 -1.637748210222066e-08 -3.044874022724526e-09 ] [ -1.743609723307093e-08 3.759765230925486e-09 -7.575550567397247e-09 ] [ -5.027567270529202e-09 -2.263668243535668e-09 -6.108949010725707e-09 ] [ 1.215898406449265e-09 1.665042827046951e-09 5.863087958686816e-09 ] [ 6.817651811728827e-09 1.883093777954982e-09 -9.299195087179563e-09 ] [ 9.573663643653486e-09 9.865830644169078e-09 1.39421874173236e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0374206 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.673014135256308e-19 } "relaxed-configuration-positions" { "source-value" [ [ 4.0327884 0.2998962 3.1221255 ] [ 2.7067791 2.054879 3.318951 ] [ 1.3980564 7.6456916 1.6737882 ] [ 5.9557209 1.1485963 2.436304 ] [ 5.5737365 3.319245 2.2969353 ] [ 2.5763268 6.009923 2.5571665 ] [ 3.5326769 4.0368889 2.7734295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.0327884e-10 2.998962e-11 3.1221255e-10 ] [ 2.7067791e-10 2.054879e-10 3.318951000000001e-10 ] [ 1.3980564e-10 7.645691600000001e-10 1.6737882e-10 ] [ 5.9557209e-10 1.1485963e-10 2.436304e-10 ] [ 5.5737365e-10 3.319245e-10 2.2969353e-10 ] [ 2.5763268e-10 6.009923e-10 2.5571665e-10 ] [ 3.5326769e-10 4.0368889e-10 2.773429500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0124846 0.0033198 0.0085179 ] [ -0.0022421 0.0071085 -0.0065393 ] [ 0.0514579 -0.051366 0.0541532 ] [ -0.0026177 -0.0022738 0.0141244 ] [ -0.0095754 0.0065352 -0.0050362 ] [ -0.0766071 0.1113519 -0.0528557 ] [ 0.0270998 -0.0746758 -0.0123644 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.000253424003968e-11 5.31890594573184e-12 1.364718023831232e-11 ] [ -3.59224020149568e-12 1.13890725089568e-11 -1.047711357639744e-11 ] [ 8.244464433546432e-11 -8.229740430401282e-11 8.676299098150656e-11 ] [ -4.19401774026816e-12 -3.64302920037504e-12 2.262978346282752e-11 ] [ -1.534148201480832e-11 1.047054465225216e-11 -8.06888189767296e-12 ] [ -1.227381046072877e-10 1.784054108616595e-10 -8.468416681601856e-11 ] [ 4.341866598835584e-11 -1.196438208995366e-10 -1.980995261021952e-11 ] ] } "relaxed-potential-energy" { "source-value" -16.510743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.645312642663726e-18 } }