{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.039067 1.4018571 0.83111 ] [ -0.0380263 -0.3332661 -0.3419613 ] [ -2.991925 -0.6484117 0.5612401 ] [ 0.0223049 -2.0341089 -0.5406741 ] [ -0.2938523 0.6728981 -0.2705857 ] [ 2.2336329 0.8145447 -0.3865728 ] [ 0.0287989 0.1264868 0.1474439 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.664768854844794e-09 2.246022671322488e-09 1.331585011313088e-09 ] [ -6.092484883552705e-11 -5.339511539251949e-10 -5.478824000783751e-10 ] [ -4.793592286187041e-09 -1.038870066393183e-09 8.992057668754541e-10 ] [ 3.573638930928192e-11 -3.259001723741205e-09 -8.662554024920813e-10 ] [ -4.708032850283079e-10 1.078101604000741e-09 -4.335260824628025e-10 ] [ 3.578674411829704e-09 1.30504447493655e-09 -6.193579023971942e-10 ] [ 4.614092428475712e-11 2.026541937998055e-10 2.362311694595731e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.609349 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.462199375850787e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5130819 1.1385399 1.6149748 ] [ 1.2659454 2.1820041 3.7960234 ] [ 1.3151547 3.4710033 1.736135 ] [ 3.8258521 1.3210007 1.7323696 ] [ 3.4683765 1.1797623 4.0232738 ] [ 3.6266465 3.6685915 1.8539055 ] [ 3.2700949 3.5122191 4.1439548 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5130819e-10 1.1385399e-10 1.6149748e-10 ] [ 1.2659454e-10 2.1820041e-10 3.7960234e-10 ] [ 1.3151547e-10 3.4710033e-10 1.736135e-10 ] [ 3.8258521e-10 1.3210007e-10 1.7323696e-10 ] [ 3.4683765e-10 1.1797623e-10 4.0232738e-10 ] [ 3.6266465e-10 3.6685915e-10 1.8539055e-10 ] [ 3.2700949e-10 3.5122191e-10 4.143954800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 -1.29e-05 1.46e-05 ] [ -5.3e-06 4.5e-06 1.66e-05 ] [ -1.48e-05 5.9e-06 -3.1e-05 ] [ -1.9e-06 -1.79e-05 -1.67e-05 ] [ 2e-07 -6.8e-06 -1.86e-05 ] [ 1.38e-05 1.52e-05 9.6e-06 ] [ 8e-07 1.2e-05 2.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.169588933184e-14 -2.066807840832e-14 2.339177866368e-14 ] [ -8.491536090240001e-15 7.2097947936e-15 2.659613190528e-14 ] [ -2.371221398784e-14 9.45284206272e-15 -4.96674752448e-14 ] [ -3.04413557952e-15 -2.867896151232001e-14 -2.675634956736e-14 ] [ 3.2043532416e-16 -1.089480102144e-14 -2.980048514688e-14 ] [ 2.211003736704e-14 2.435308463616e-14 1.538089555968e-14 ] [ 1.28174129664e-15 1.92261194496e-14 4.08555038304e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }