{ "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" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -52.3675958 4.0583572 8.2913345 ] [ 56.759933 -17.4240169 -23.1554213 ] [ 41.3134999 -49.6583449 16.4200187 ] [ -54.7703296 54.5434793 -0.5092653 ] [ 1.0753791 2.1051536 0.6089094 ] [ 7.9891134 6.3753716 -1.6555761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.390213767826427e-08 6.502205024695349e-09 1.328418229113246e-08 ] [ 9.09394376507744e-08 -2.79163525176041e-08 -3.709907465163435e-08 ] [ 6.619152366320314e-08 -7.956143922640292e-08 2.630777007423881e-08 ] [ -8.77517415986302e-08 8.738828735154875e-08 -8.159329574446983e-10 ] [ 1.722947252516945e-09 3.372827881112955e-09 9.755804048653556e-10 ] [ 1.27999707104e-08 1.021447132643229e-08 -2.652525321375243e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 21.768996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.487777644948872e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5044677 0.4816102 0.7846069 ] [ 1.7858123 -0.1942574 0.815228 ] [ 1.8289319 0.3471471 3.2214734 ] [ -0.1392809 1.8671803 2.7008096 ] [ 3.0571469 1.7896038 0.4264841 ] [ 2.2321839 2.7380879 2.4623664 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.044677e-11 4.816102e-11 7.846069e-11 ] [ 1.7858123e-10 -1.942574e-11 8.15228e-11 ] [ 1.8289319e-10 3.471471e-11 3.2214734e-10 ] [ -1.392809e-11 1.8671803e-10 2.7008096e-10 ] [ 3.0571469e-10 1.7896038e-10 4.264841e-11 ] [ 2.2321839e-10 2.7380879e-10 2.4623664e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 -3.7e-06 -1.29e-05 ] [ -1.1e-06 7e-06 3e-07 ] [ -1.6e-06 1.49e-05 -1.6e-06 ] [ -1.58e-05 -9.2e-06 1.9e-05 ] [ 4.3e-06 -7.5e-06 -3.7e-06 ] [ 1.41e-05 -1.5e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 -5.928053496960001e-15 -2.066807840832e-14 ] [ -1.76239428288e-15 1.12152363456e-14 4.8065298624e-16 ] [ -2.56348259328e-15 2.387243164992e-14 -2.56348259328e-15 ] [ -2.531439060864e-14 -1.474002491136e-14 3.04413557952e-14 ] [ 6.889359469440001e-15 -1.2016324656e-14 -5.928053496960001e-15 ] [ 2.259069035328e-14 -2.4032649312e-15 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.521764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326643077357509e-18 } }