{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.4736843 7.211655 39.1223978 ] [ -14.2786308 -1.0534932 0.5084605 ] [ 121.2465399 45.4574015 13.2434117 ] [ -91.8474679 -73.7019235 -53.3578109 ] [ 16.5864024 9.2646469 -69.9611611 ] [ -12.2331593 12.8217134 70.4447019 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.120028170630001e-08 1.155434503827542e-08 6.268099110479736e-08 ] [ -2.28768884447948e-08 -1.687882175211778e-09 8.146435257002784e-10 ] [ 1.942583715806744e-07 7.283078592561886e-08 2.121828460536918e-08 ] [ -1.471558657490585e-07 -1.180834987396901e-07 -8.54886371610474e-08 ] [ 2.657434614846101e-08 1.48436006631472e-08 -1.120901366784424e-07 ] [ -1.959968182898209e-08 2.054264944807808e-08 1.128648544434053e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 52.60186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.427747030259469e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0695818 0.4670925 2.0188845 ] [ 0.8251806 2.8132936 1.7848228 ] [ 3.4761886 0.4892613 -0.2028227 ] [ 1.8730587 -1.0243653 1.0407665 ] [ 2.5989453 2.854893 0.0578591 ] [ 1.8995893 3.3733131 3.8525241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.958180000000001e-12 4.670925000000001e-11 2.0188845e-10 ] [ 8.251806000000001e-11 2.8132936e-10 1.7848228e-10 ] [ 3.4761886e-10 4.892613e-11 -2.028227e-11 ] [ 1.8730587e-10 -1.0243653e-10 1.0407665e-10 ] [ 2.5989453e-10 2.854893e-10 5.78591e-12 ] [ 1.8995893e-10 3.3733131e-10 3.8525241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.45e-05 7e-06 4.5e-06 ] [ -2.26e-05 -2.94e-05 -1.19e-05 ] [ -7.5e-06 4.25e-05 -4.5e-06 ] [ -3.29e-05 -4.6e-06 -4e-07 ] [ 2.79e-05 -3.11e-05 4.3e-06 ] [ 6e-07 1.55e-05 8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.52750934176e-14 1.12152363456e-14 7.2097947936e-15 ] [ -3.620919163008e-14 -4.710399265152e-14 -1.906590178752e-14 ] [ -1.2016324656e-14 6.8092506384e-14 -7.2097947936e-15 ] [ -5.271161082432e-14 -7.370012455680001e-15 -6.408706483200001e-16 ] [ 4.470072772032e-14 -4.982769290688e-14 6.889359469440001e-15 ] [ 9.6130597248e-16 2.48337376224e-14 1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.954651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.716434544602334e-18 } }