{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.54042 -0.0507208 1.058729 ] [ -0.0005614 -0.0572791 6.9676445 ] [ -2.5123899 1.7434492 -4.7526794 ] [ -0.8373222 -5.1060945 -3.070091 ] [ 1.2583113 -0.9366419 -2.3922458 ] [ -2.2478292 2.8382377 1.0759928 ] [ 5.8802115 1.5690494 1.1126499 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.46802493054628e-09 -8.12636806177872e-11 1.696270865538186e-09 ] [ -8.994619623275999e-13 -9.177123563654939e-11 1.116339721191861e-08 ] [ -4.025292393277596e-09 2.793313570805993e-09 -7.614631883573138e-09 ] [ -1.341538063969475e-09 -8.180865298895911e-09 -4.918828064453693e-09 ] [ 2.016036963158164e-09 -1.500665766605365e-09 -3.832800323544637e-09 ] [ -3.601419421462912e-09 4.547358124677901e-09 1.723930522512235e-09 ] [ 9.42113746827809e-09 2.513894286271719e-09 1.782661671602437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.514085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.568460072688989e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9472638 2.6733027 1.496587 ] [ 2.7218848 3.1079619 4.9355738 ] [ 1.0732088 3.591297 3.4167751 ] [ 3.1945953 1.5869547 3.1718624 ] [ 4.1584115 3.2492659 1.6904744 ] [ 3.1071624 4.756397 3.197475 ] [ 4.7983053 3.2112269 3.9156694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9472638e-10 2.6733027e-10 1.496587e-10 ] [ 2.7218848e-10 3.1079619e-10 4.9355738e-10 ] [ 1.0732088e-10 3.591297e-10 3.4167751e-10 ] [ 3.1945953e-10 1.5869547e-10 3.1718624e-10 ] [ 4.1584115e-10 3.2492659e-10 1.6904744e-10 ] [ 3.1071624e-10 4.756397e-10 3.197475e-10 ] [ 4.7983053e-10 3.2112269e-10 3.9156694e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.01e-05 -2.66e-05 2.17e-05 ] [ -2e-07 -1.01e-05 6.3e-06 ] [ 1.14e-05 2.01e-05 2.42e-05 ] [ 1.1e-05 -9.31e-05 1.61e-05 ] [ 4.9e-06 5.41e-05 2.23e-05 ] [ -2.33e-05 0.0001258 -4.48e-05 ] [ -5.39e-05 -7.02e-05 -4.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.026904936339999e-14 -4.26178984644e-14 3.476723295779999e-14 ] [ -3.204353268e-16 -1.61819840034e-14 1.00937127942e-14 ] [ 1.82648136276e-14 3.22037503434e-14 3.877267454279999e-14 ] [ 1.7623942974e-14 -1.491626446254e-13 2.579504380739999e-14 ] [ 7.850665506599998e-15 8.66777558994e-14 3.572853893819999e-14 ] [ -3.733071557219999e-14 2.015538205572e-13 -7.177751320319999e-14 ] [ -8.635732057259999e-14 -1.124727997068e-13 -7.33796898372e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.333444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.859953520554749e-18 } }